USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 688 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 33 TYR OH : rot -87:sc= -4.29! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -2.06! C(o=-6.3!,f=-7.1!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0591 (180deg=-0.387) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= -0.0448 (180deg=-0.342) USER MOD Single : A 11 HIS : no HD1:sc= -4.83! C(o=-4.8!,f=-6.4!) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= -0.136 (180deg=-0.688) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -113:sc= 0.877 (180deg=-0.047) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc=-0.00949 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -58:sc= 1.15 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 150:sc= -0.117 (180deg=-0.661) USER MOD Single : A 51 ASN : amide:sc= -2.67 X(o=-2.7,f=-2.4) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.28 F(o=-0.84,f=-0.28) USER MOD Single : A 74 TYR OH : rot -135:sc= 1.01 USER MOD Single : A 76 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.1) USER MOD Single : A 78 THR OG1 : rot -98:sc= 0.337 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.576 6.361 7.627 1.00 0.00 N ATOM 2 CA MET A 1 -17.154 7.747 7.294 1.00 0.00 C ATOM 3 C MET A 1 -16.131 7.754 6.164 1.00 0.00 C ATOM 4 O MET A 1 -16.402 8.252 5.070 1.00 0.00 O ATOM 5 CB MET A 1 -16.559 8.390 8.549 1.00 0.00 C ATOM 6 CG MET A 1 -16.270 9.874 8.394 1.00 0.00 C ATOM 7 SD MET A 1 -15.941 10.685 9.971 1.00 0.00 S ATOM 8 CE MET A 1 -17.578 10.693 10.696 1.00 0.00 C ATOM 0 H1 MET A 1 -18.272 6.386 8.399 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.004 5.918 6.789 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.747 5.808 7.926 1.00 0.00 H new ATOM 0 HA MET A 1 -18.021 8.314 6.956 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.248 8.248 9.381 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.635 7.874 8.808 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.411 10.006 7.736 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.119 10.357 7.911 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.620 11.436 11.492 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.314 10.940 9.931 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.799 9.708 11.107 1.00 0.00 H new ATOM 20 N ASP A 2 -14.954 7.199 6.434 1.00 0.00 N ATOM 21 CA ASP A 2 -13.890 7.140 5.439 1.00 0.00 C ATOM 22 C ASP A 2 -13.698 5.715 4.929 1.00 0.00 C ATOM 23 O ASP A 2 -12.591 5.320 4.566 1.00 0.00 O ATOM 24 CB ASP A 2 -12.580 7.663 6.031 1.00 0.00 C ATOM 25 CG ASP A 2 -12.615 9.157 6.286 1.00 0.00 C ATOM 26 OD1 ASP A 2 -13.209 9.572 7.303 1.00 0.00 O ATOM 27 OD2 ASP A 2 -12.048 9.913 5.469 1.00 0.00 O ATOM 0 H ASP A 2 -14.713 6.784 7.334 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.179 7.771 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -12.374 7.143 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.760 7.433 5.351 1.00 0.00 H new ATOM 32 N ARG A 3 -14.784 4.950 4.906 1.00 0.00 N ATOM 33 CA ARG A 3 -14.735 3.568 4.440 1.00 0.00 C ATOM 34 C ARG A 3 -15.232 3.462 3.003 1.00 0.00 C ATOM 35 O ARG A 3 -16.359 3.033 2.755 1.00 0.00 O ATOM 36 CB ARG A 3 -15.576 2.671 5.353 1.00 0.00 C ATOM 37 CG ARG A 3 -14.985 2.494 6.743 1.00 0.00 C ATOM 38 CD ARG A 3 -14.550 1.057 6.988 1.00 0.00 C ATOM 39 NE ARG A 3 -13.131 0.860 6.705 1.00 0.00 N ATOM 40 CZ ARG A 3 -12.153 1.221 7.534 1.00 0.00 C ATOM 41 NH1 ARG A 3 -12.436 1.796 8.695 1.00 0.00 N ATOM 42 NH2 ARG A 3 -10.888 1.003 7.200 1.00 0.00 N ATOM 0 H ARG A 3 -15.708 5.262 5.204 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.698 3.235 4.471 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.576 3.095 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -15.685 1.692 4.886 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.130 3.159 6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.722 2.784 7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.754 0.788 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.141 0.388 6.363 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.874 0.420 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.407 1.964 8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.682 2.070 9.325 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.665 0.559 6.309 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.138 1.279 7.834 1.00 0.00 H new ATOM 56 N LYS A 4 -14.382 3.853 2.060 1.00 0.00 N ATOM 57 CA LYS A 4 -14.734 3.802 0.645 1.00 0.00 C ATOM 58 C LYS A 4 -13.590 3.217 -0.178 1.00 0.00 C ATOM 59 O LYS A 4 -13.799 2.331 -1.005 1.00 0.00 O ATOM 60 CB LYS A 4 -15.082 5.202 0.133 1.00 0.00 C ATOM 61 CG LYS A 4 -16.066 5.199 -1.025 1.00 0.00 C ATOM 62 CD LYS A 4 -15.359 5.357 -2.363 1.00 0.00 C ATOM 63 CE LYS A 4 -15.447 4.088 -3.195 1.00 0.00 C ATOM 64 NZ LYS A 4 -16.853 3.765 -3.567 1.00 0.00 N ATOM 0 H LYS A 4 -13.445 4.209 2.249 1.00 0.00 H new ATOM 0 HA LYS A 4 -15.605 3.156 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.500 5.786 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.166 5.703 -0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.632 4.267 -1.020 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.784 6.009 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.803 6.186 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.312 5.611 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.850 4.204 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -15.019 3.256 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.860 3.192 -4.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.302 3.231 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.380 4.647 -3.730 1.00 0.00 H new ATOM 78 N VAL A 5 -12.381 3.716 0.057 1.00 0.00 N ATOM 79 CA VAL A 5 -11.207 3.241 -0.665 1.00 0.00 C ATOM 80 C VAL A 5 -10.832 1.826 -0.237 1.00 0.00 C ATOM 81 O VAL A 5 -10.221 1.079 -1.002 1.00 0.00 O ATOM 82 CB VAL A 5 -9.993 4.166 -0.448 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.882 3.828 -1.432 1.00 0.00 C ATOM 84 CG2 VAL A 5 -10.404 5.626 -0.574 1.00 0.00 C ATOM 0 H VAL A 5 -12.189 4.448 0.741 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.470 3.243 -1.723 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.613 4.007 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.033 4.491 -1.264 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.569 2.794 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.247 3.957 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.534 6.264 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.811 5.805 -1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.162 5.857 0.175 1.00 0.00 H new ATOM 94 N ALA A 6 -11.199 1.461 0.990 1.00 0.00 N ATOM 95 CA ALA A 6 -10.896 0.133 1.514 1.00 0.00 C ATOM 96 C ALA A 6 -11.440 -0.957 0.597 1.00 0.00 C ATOM 97 O ALA A 6 -10.736 -1.910 0.259 1.00 0.00 O ATOM 98 CB ALA A 6 -11.465 -0.020 2.916 1.00 0.00 C ATOM 0 H ALA A 6 -11.705 2.065 1.637 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.812 0.024 1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.233 -1.015 3.296 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.024 0.731 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.546 0.114 2.886 1.00 0.00 H new ATOM 104 N ARG A 7 -12.696 -0.806 0.196 1.00 0.00 N ATOM 105 CA ARG A 7 -13.337 -1.774 -0.685 1.00 0.00 C ATOM 106 C ARG A 7 -12.575 -1.891 -1.998 1.00 0.00 C ATOM 107 O ARG A 7 -12.278 -2.993 -2.465 1.00 0.00 O ATOM 108 CB ARG A 7 -14.788 -1.366 -0.955 1.00 0.00 C ATOM 109 CG ARG A 7 -15.766 -2.530 -0.915 1.00 0.00 C ATOM 110 CD ARG A 7 -16.549 -2.561 0.389 1.00 0.00 C ATOM 111 NE ARG A 7 -16.251 -3.755 1.178 1.00 0.00 N ATOM 112 CZ ARG A 7 -16.775 -4.954 0.935 1.00 0.00 C ATOM 113 NH1 ARG A 7 -17.619 -5.125 -0.075 1.00 0.00 N ATOM 114 NH2 ARG A 7 -16.453 -5.986 1.702 1.00 0.00 N ATOM 0 H ARG A 7 -13.291 -0.023 0.467 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.329 -2.746 -0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -15.091 -0.623 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -14.846 -0.887 -1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.458 -2.453 -1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.222 -3.467 -1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -16.314 -1.672 0.974 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.617 -2.527 0.172 1.00 0.00 H new ATOM 0 HE ARG A 7 -15.603 -3.664 1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -17.869 -4.335 -0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -18.017 -6.046 -0.256 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -15.804 -5.861 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -16.855 -6.905 1.516 1.00 0.00 H new ATOM 128 N GLU A 8 -12.252 -0.745 -2.583 1.00 0.00 N ATOM 129 CA GLU A 8 -11.516 -0.710 -3.839 1.00 0.00 C ATOM 130 C GLU A 8 -10.138 -1.335 -3.666 1.00 0.00 C ATOM 131 O GLU A 8 -9.664 -2.067 -4.534 1.00 0.00 O ATOM 132 CB GLU A 8 -11.380 0.731 -4.335 1.00 0.00 C ATOM 133 CG GLU A 8 -12.685 1.326 -4.840 1.00 0.00 C ATOM 134 CD GLU A 8 -12.504 2.139 -6.106 1.00 0.00 C ATOM 135 OE1 GLU A 8 -11.928 1.607 -7.078 1.00 0.00 O ATOM 136 OE2 GLU A 8 -12.936 3.312 -6.124 1.00 0.00 O ATOM 0 H GLU A 8 -12.489 0.173 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.071 -1.286 -4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.997 1.351 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.642 0.763 -5.136 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.398 0.523 -5.027 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.115 1.959 -4.064 1.00 0.00 H new ATOM 143 N PHE A 9 -9.506 -1.047 -2.535 1.00 0.00 N ATOM 144 CA PHE A 9 -8.184 -1.582 -2.237 1.00 0.00 C ATOM 145 C PHE A 9 -8.217 -3.106 -2.208 1.00 0.00 C ATOM 146 O PHE A 9 -7.244 -3.766 -2.568 1.00 0.00 O ATOM 147 CB PHE A 9 -7.693 -1.043 -0.890 1.00 0.00 C ATOM 148 CG PHE A 9 -6.336 -1.548 -0.488 1.00 0.00 C ATOM 149 CD1 PHE A 9 -6.174 -2.834 -0.001 1.00 0.00 C ATOM 150 CD2 PHE A 9 -5.220 -0.730 -0.594 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.926 -3.298 0.374 1.00 0.00 C ATOM 152 CE2 PHE A 9 -3.971 -1.188 -0.221 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.824 -2.472 0.263 1.00 0.00 C ATOM 0 H PHE A 9 -9.889 -0.444 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.496 -1.265 -3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.666 0.046 -0.934 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.413 -1.313 -0.118 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.033 -3.483 0.087 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.329 0.276 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.813 -4.303 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.110 -0.542 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.848 -2.831 0.555 1.00 0.00 H new ATOM 163 N ARG A 10 -9.347 -3.657 -1.779 1.00 0.00 N ATOM 164 CA ARG A 10 -9.513 -5.103 -1.698 1.00 0.00 C ATOM 165 C ARG A 10 -9.607 -5.731 -3.088 1.00 0.00 C ATOM 166 O ARG A 10 -8.886 -6.680 -3.398 1.00 0.00 O ATOM 167 CB ARG A 10 -10.765 -5.449 -0.889 1.00 0.00 C ATOM 168 CG ARG A 10 -10.582 -5.288 0.612 1.00 0.00 C ATOM 169 CD ARG A 10 -10.493 -6.634 1.313 1.00 0.00 C ATOM 170 NE ARG A 10 -9.648 -6.577 2.504 1.00 0.00 N ATOM 171 CZ ARG A 10 -10.029 -6.031 3.656 1.00 0.00 C ATOM 172 NH1 ARG A 10 -11.237 -5.495 3.777 1.00 0.00 N ATOM 173 NH2 ARG A 10 -9.200 -6.021 4.690 1.00 0.00 N ATOM 0 H ARG A 10 -10.163 -3.123 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.635 -5.510 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.587 -4.813 -1.217 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.053 -6.478 -1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.677 -4.714 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.416 -4.718 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.493 -6.963 1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.095 -7.377 0.622 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.712 -6.979 2.449 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.879 -5.500 2.984 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.523 -5.078 4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.270 -6.432 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.492 -5.603 5.573 1.00 0.00 H new ATOM 187 N HIS A 11 -10.504 -5.207 -3.919 1.00 0.00 N ATOM 188 CA HIS A 11 -10.688 -5.737 -5.267 1.00 0.00 C ATOM 189 C HIS A 11 -9.449 -5.499 -6.129 1.00 0.00 C ATOM 190 O HIS A 11 -8.997 -6.397 -6.840 1.00 0.00 O ATOM 191 CB HIS A 11 -11.944 -5.134 -5.920 1.00 0.00 C ATOM 192 CG HIS A 11 -11.704 -3.907 -6.753 1.00 0.00 C ATOM 193 ND1 HIS A 11 -10.886 -3.892 -7.866 1.00 0.00 N ATOM 194 CD2 HIS A 11 -12.196 -2.650 -6.636 1.00 0.00 C ATOM 195 CE1 HIS A 11 -10.883 -2.679 -8.392 1.00 0.00 C ATOM 196 NE2 HIS A 11 -11.671 -1.909 -7.665 1.00 0.00 N ATOM 0 H HIS A 11 -11.111 -4.421 -3.685 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.831 -6.815 -5.190 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.409 -5.895 -6.547 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.659 -4.887 -5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -12.875 -2.297 -5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -10.330 -2.371 -9.267 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -11.859 -0.922 -7.840 1.00 0.00 H new ATOM 205 N LYS A 12 -8.907 -4.286 -6.068 1.00 0.00 N ATOM 206 CA LYS A 12 -7.724 -3.940 -6.852 1.00 0.00 C ATOM 207 C LYS A 12 -6.562 -4.880 -6.538 1.00 0.00 C ATOM 208 O LYS A 12 -6.033 -5.544 -7.428 1.00 0.00 O ATOM 209 CB LYS A 12 -7.312 -2.490 -6.586 1.00 0.00 C ATOM 210 CG LYS A 12 -7.069 -1.687 -7.853 1.00 0.00 C ATOM 211 CD LYS A 12 -5.645 -1.156 -7.918 1.00 0.00 C ATOM 212 CE LYS A 12 -5.478 -0.146 -9.040 1.00 0.00 C ATOM 213 NZ LYS A 12 -6.409 1.007 -8.893 1.00 0.00 N ATOM 0 H LYS A 12 -9.266 -3.529 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.977 -4.049 -7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.090 -2.001 -5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.405 -2.483 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.264 -2.313 -8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.770 -0.854 -7.896 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.385 -0.691 -6.967 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.953 -1.985 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.450 0.217 -9.052 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.654 -0.635 -9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.064 1.807 -9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.357 0.732 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.458 1.289 -7.893 1.00 0.00 H new ATOM 227 N VAL A 13 -6.172 -4.930 -5.267 1.00 0.00 N ATOM 228 CA VAL A 13 -5.072 -5.789 -4.838 1.00 0.00 C ATOM 229 C VAL A 13 -5.283 -7.230 -5.299 1.00 0.00 C ATOM 230 O VAL A 13 -4.360 -7.874 -5.796 1.00 0.00 O ATOM 231 CB VAL A 13 -4.904 -5.758 -3.304 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.816 -6.726 -2.851 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.594 -4.344 -2.834 1.00 0.00 C ATOM 0 H VAL A 13 -6.600 -4.387 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.164 -5.401 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.844 -6.077 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.719 -6.683 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.082 -7.739 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.868 -6.448 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.478 -4.338 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.670 -4.000 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.411 -3.680 -3.115 1.00 0.00 H new ATOM 243 N ASP A 14 -6.503 -7.728 -5.131 1.00 0.00 N ATOM 244 CA ASP A 14 -6.830 -9.091 -5.533 1.00 0.00 C ATOM 245 C ASP A 14 -6.778 -9.241 -7.051 1.00 0.00 C ATOM 246 O ASP A 14 -6.494 -10.321 -7.569 1.00 0.00 O ATOM 247 CB ASP A 14 -8.217 -9.480 -5.017 1.00 0.00 C ATOM 248 CG ASP A 14 -8.188 -9.943 -3.574 1.00 0.00 C ATOM 249 OD1 ASP A 14 -8.273 -9.084 -2.671 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.081 -11.167 -3.345 1.00 0.00 O ATOM 0 H ASP A 14 -7.280 -7.210 -4.720 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.087 -9.758 -5.096 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.888 -8.626 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.625 -10.274 -5.642 1.00 0.00 H new ATOM 255 N PHE A 15 -7.059 -8.151 -7.759 1.00 0.00 N ATOM 256 CA PHE A 15 -7.048 -8.162 -9.218 1.00 0.00 C ATOM 257 C PHE A 15 -5.632 -8.324 -9.764 1.00 0.00 C ATOM 258 O PHE A 15 -5.380 -9.177 -10.614 1.00 0.00 O ATOM 259 CB PHE A 15 -7.670 -6.873 -9.761 1.00 0.00 C ATOM 260 CG PHE A 15 -8.441 -7.069 -11.036 1.00 0.00 C ATOM 261 CD1 PHE A 15 -9.503 -7.956 -11.088 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.101 -6.364 -12.179 1.00 0.00 C ATOM 263 CE1 PHE A 15 -10.215 -8.137 -12.261 1.00 0.00 C ATOM 264 CE2 PHE A 15 -8.808 -6.541 -13.354 1.00 0.00 C ATOM 265 CZ PHE A 15 -9.867 -7.428 -13.394 1.00 0.00 C ATOM 0 H PHE A 15 -7.297 -7.249 -7.346 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.639 -9.016 -9.548 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.334 -6.453 -9.005 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.880 -6.142 -9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.779 -8.512 -10.204 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.275 -5.669 -12.152 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.041 -8.832 -12.290 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.533 -5.987 -14.239 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.422 -7.567 -14.310 1.00 0.00 H new ATOM 275 N LEU A 16 -4.713 -7.495 -9.279 1.00 0.00 N ATOM 276 CA LEU A 16 -3.324 -7.547 -9.733 1.00 0.00 C ATOM 277 C LEU A 16 -2.531 -8.615 -8.989 1.00 0.00 C ATOM 278 O LEU A 16 -1.779 -9.378 -9.597 1.00 0.00 O ATOM 279 CB LEU A 16 -2.650 -6.181 -9.568 1.00 0.00 C ATOM 280 CG LEU A 16 -2.977 -5.436 -8.271 1.00 0.00 C ATOM 281 CD1 LEU A 16 -1.703 -4.955 -7.594 1.00 0.00 C ATOM 282 CD2 LEU A 16 -3.909 -4.266 -8.548 1.00 0.00 C ATOM 0 H LEU A 16 -4.902 -6.782 -8.575 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.336 -7.811 -10.790 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.570 -6.319 -9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.935 -5.551 -10.410 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.483 -6.127 -7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.956 -4.428 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.070 -5.811 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.168 -4.281 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.130 -3.748 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.429 -3.575 -9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.836 -4.635 -8.987 1.00 0.00 H new ATOM 294 N ILE A 17 -2.696 -8.663 -7.674 1.00 0.00 N ATOM 295 CA ILE A 17 -1.986 -9.641 -6.854 1.00 0.00 C ATOM 296 C ILE A 17 -2.770 -10.944 -6.750 1.00 0.00 C ATOM 297 O ILE A 17 -2.406 -11.948 -7.364 1.00 0.00 O ATOM 298 CB ILE A 17 -1.703 -9.096 -5.438 1.00 0.00 C ATOM 299 CG1 ILE A 17 -1.036 -7.718 -5.526 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.829 -10.071 -4.658 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.597 -7.164 -4.186 1.00 0.00 C ATOM 0 H ILE A 17 -3.312 -8.040 -7.152 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.034 -9.837 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.649 -8.988 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.168 -7.786 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.731 -7.017 -5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.639 -9.672 -3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.340 -11.030 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.118 -10.209 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.134 -6.188 -4.330 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.464 -7.062 -3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.123 -7.843 -3.730 1.00 0.00 H new ATOM 313 N GLU A 18 -3.847 -10.922 -5.974 1.00 0.00 N ATOM 314 CA GLU A 18 -4.692 -12.103 -5.789 1.00 0.00 C ATOM 315 C GLU A 18 -4.028 -13.139 -4.880 1.00 0.00 C ATOM 316 O GLU A 18 -4.588 -14.207 -4.637 1.00 0.00 O ATOM 317 CB GLU A 18 -5.026 -12.741 -7.142 1.00 0.00 C ATOM 318 CG GLU A 18 -6.376 -13.438 -7.169 1.00 0.00 C ATOM 319 CD GLU A 18 -6.369 -14.689 -8.026 1.00 0.00 C ATOM 320 OE1 GLU A 18 -6.095 -14.574 -9.240 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.636 -15.781 -7.487 1.00 0.00 O ATOM 0 H GLU A 18 -4.159 -10.098 -5.460 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.612 -11.771 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.009 -11.970 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.249 -13.462 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.666 -13.701 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.130 -12.747 -7.547 1.00 0.00 H new ATOM 328 N ASN A 19 -2.835 -12.827 -4.381 1.00 0.00 N ATOM 329 CA ASN A 19 -2.112 -13.741 -3.506 1.00 0.00 C ATOM 330 C ASN A 19 -2.308 -13.364 -2.040 1.00 0.00 C ATOM 331 O ASN A 19 -2.378 -12.186 -1.696 1.00 0.00 O ATOM 332 CB ASN A 19 -0.622 -13.739 -3.850 1.00 0.00 C ATOM 333 CG ASN A 19 -0.330 -14.441 -5.162 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.237 -15.666 -5.216 1.00 0.00 O ATOM 335 ND2 ASN A 19 -0.183 -13.664 -6.228 1.00 0.00 N ATOM 0 H ASN A 19 -2.350 -11.949 -4.568 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.512 -14.743 -3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.266 -12.710 -3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.066 -14.226 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.015 -14.079 -7.138 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.269 -12.652 -6.137 1.00 0.00 H new ATOM 342 N ASP A 20 -2.397 -14.377 -1.183 1.00 0.00 N ATOM 343 CA ASP A 20 -2.585 -14.153 0.245 1.00 0.00 C ATOM 344 C ASP A 20 -1.255 -13.845 0.926 1.00 0.00 C ATOM 345 O ASP A 20 -1.199 -13.064 1.876 1.00 0.00 O ATOM 346 CB ASP A 20 -3.232 -15.377 0.894 1.00 0.00 C ATOM 347 CG ASP A 20 -4.745 -15.277 0.938 1.00 0.00 C ATOM 348 OD1 ASP A 20 -5.375 -15.332 -0.139 1.00 0.00 O ATOM 349 OD2 ASP A 20 -5.300 -15.141 2.049 1.00 0.00 O ATOM 0 H ASP A 20 -2.342 -15.359 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.244 -13.294 0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.946 -16.272 0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.849 -15.492 1.908 1.00 0.00 H new ATOM 354 N ALA A 21 -0.188 -14.461 0.432 1.00 0.00 N ATOM 355 CA ALA A 21 1.142 -14.252 0.992 1.00 0.00 C ATOM 356 C ALA A 21 1.613 -12.822 0.762 1.00 0.00 C ATOM 357 O ALA A 21 2.034 -12.136 1.694 1.00 0.00 O ATOM 358 CB ALA A 21 2.131 -15.239 0.389 1.00 0.00 C ATOM 0 H ALA A 21 -0.217 -15.109 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 21 1.088 -14.422 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.119 -15.071 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.809 -16.257 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.174 -15.097 -0.691 1.00 0.00 H new ATOM 364 N GLU A 22 1.532 -12.378 -0.484 1.00 0.00 N ATOM 365 CA GLU A 22 1.945 -11.027 -0.843 1.00 0.00 C ATOM 366 C GLU A 22 1.052 -9.995 -0.166 1.00 0.00 C ATOM 367 O GLU A 22 1.505 -8.912 0.203 1.00 0.00 O ATOM 368 CB GLU A 22 1.899 -10.843 -2.363 1.00 0.00 C ATOM 369 CG GLU A 22 2.764 -11.836 -3.122 1.00 0.00 C ATOM 370 CD GLU A 22 4.077 -11.232 -3.583 1.00 0.00 C ATOM 371 OE1 GLU A 22 4.074 -10.058 -4.007 1.00 0.00 O ATOM 372 OE2 GLU A 22 5.108 -11.934 -3.521 1.00 0.00 O ATOM 0 H GLU A 22 1.184 -12.934 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 22 2.969 -10.880 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.867 -10.940 -2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.222 -9.831 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.968 -12.696 -2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.214 -12.204 -3.988 1.00 0.00 H new ATOM 379 N LYS A 23 -0.222 -10.340 -0.005 1.00 0.00 N ATOM 380 CA LYS A 23 -1.182 -9.445 0.632 1.00 0.00 C ATOM 381 C LYS A 23 -0.884 -9.308 2.120 1.00 0.00 C ATOM 382 O LYS A 23 -1.063 -8.239 2.703 1.00 0.00 O ATOM 383 CB LYS A 23 -2.608 -9.961 0.427 1.00 0.00 C ATOM 384 CG LYS A 23 -3.343 -9.278 -0.714 1.00 0.00 C ATOM 385 CD LYS A 23 -4.844 -9.507 -0.627 1.00 0.00 C ATOM 386 CE LYS A 23 -5.268 -10.725 -1.432 1.00 0.00 C ATOM 387 NZ LYS A 23 -6.531 -11.320 -0.916 1.00 0.00 N ATOM 0 H LYS A 23 -0.613 -11.232 -0.307 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.093 -8.462 0.169 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.574 -11.034 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.173 -9.820 1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.135 -8.208 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.971 -9.656 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.133 -9.640 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.370 -8.626 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.400 -10.442 -2.476 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.476 -11.473 -1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.334 -12.259 -0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.928 -10.705 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.214 -11.413 -1.694 1.00 0.00 H new ATOM 401 N ASP A 24 -0.422 -10.393 2.731 1.00 0.00 N ATOM 402 CA ASP A 24 -0.094 -10.385 4.151 1.00 0.00 C ATOM 403 C ASP A 24 1.191 -9.602 4.397 1.00 0.00 C ATOM 404 O ASP A 24 1.364 -8.985 5.448 1.00 0.00 O ATOM 405 CB ASP A 24 0.056 -11.816 4.672 1.00 0.00 C ATOM 406 CG ASP A 24 0.196 -11.870 6.181 1.00 0.00 C ATOM 407 OD1 ASP A 24 -0.321 -10.956 6.859 1.00 0.00 O ATOM 408 OD2 ASP A 24 0.822 -12.825 6.685 1.00 0.00 O ATOM 0 H ASP A 24 -0.266 -11.287 2.266 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.908 -9.899 4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.811 -12.403 4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.930 -12.278 4.212 1.00 0.00 H new ATOM 413 N TYR A 25 2.088 -9.630 3.416 1.00 0.00 N ATOM 414 CA TYR A 25 3.355 -8.921 3.517 1.00 0.00 C ATOM 415 C TYR A 25 3.139 -7.413 3.432 1.00 0.00 C ATOM 416 O TYR A 25 3.668 -6.652 4.244 1.00 0.00 O ATOM 417 CB TYR A 25 4.304 -9.377 2.407 1.00 0.00 C ATOM 418 CG TYR A 25 5.761 -9.099 2.698 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.303 -9.364 3.949 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.595 -8.572 1.721 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.636 -9.113 4.217 1.00 0.00 C ATOM 422 CE2 TYR A 25 7.929 -8.317 1.979 1.00 0.00 C ATOM 423 CZ TYR A 25 8.444 -8.589 3.229 1.00 0.00 C ATOM 424 OH TYR A 25 9.771 -8.338 3.493 1.00 0.00 O ATOM 0 H TYR A 25 1.958 -10.138 2.541 1.00 0.00 H new ATOM 0 HA TYR A 25 3.801 -9.152 4.485 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.173 -10.447 2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.027 -8.879 1.478 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.673 -9.773 4.725 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.194 -8.357 0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.043 -9.326 5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.563 -7.908 1.207 1.00 0.00 H new ATOM 0 HH TYR A 25 10.200 -7.972 2.692 1.00 0.00 H new ATOM 434 N LEU A 26 2.358 -6.988 2.444 1.00 0.00 N ATOM 435 CA LEU A 26 2.070 -5.572 2.256 1.00 0.00 C ATOM 436 C LEU A 26 1.258 -5.024 3.426 1.00 0.00 C ATOM 437 O LEU A 26 1.422 -3.870 3.822 1.00 0.00 O ATOM 438 CB LEU A 26 1.324 -5.347 0.936 1.00 0.00 C ATOM 439 CG LEU A 26 -0.165 -5.695 0.955 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.980 -4.526 1.486 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.637 -6.089 -0.436 1.00 0.00 C ATOM 0 H LEU A 26 1.914 -7.604 1.762 1.00 0.00 H new ATOM 0 HA LEU A 26 3.017 -5.035 2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.431 -4.300 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.808 -5.939 0.159 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.312 -6.545 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.037 -4.792 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.659 -4.290 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.829 -3.657 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.699 -6.333 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.476 -5.259 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.075 -6.958 -0.779 1.00 0.00 H new ATOM 453 N TYR A 27 0.386 -5.861 3.981 1.00 0.00 N ATOM 454 CA TYR A 27 -0.443 -5.458 5.109 1.00 0.00 C ATOM 455 C TYR A 27 0.412 -5.249 6.353 1.00 0.00 C ATOM 456 O TYR A 27 0.185 -4.320 7.129 1.00 0.00 O ATOM 457 CB TYR A 27 -1.523 -6.509 5.384 1.00 0.00 C ATOM 458 CG TYR A 27 -2.931 -5.959 5.333 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.435 -5.396 4.168 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.754 -6.001 6.451 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.720 -4.890 4.117 1.00 0.00 C ATOM 462 CE2 TYR A 27 -5.041 -5.499 6.408 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.519 -4.945 5.239 1.00 0.00 C ATOM 464 OH TYR A 27 -6.799 -4.444 5.194 1.00 0.00 O ATOM 0 H TYR A 27 0.236 -6.820 3.668 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.928 -4.515 4.856 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.430 -7.313 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.349 -6.948 6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.812 -5.353 3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.382 -6.433 7.369 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.096 -4.454 3.203 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.669 -5.540 7.286 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.227 -4.562 6.068 1.00 0.00 H new ATOM 474 N ASP A 28 1.400 -6.117 6.532 1.00 0.00 N ATOM 475 CA ASP A 28 2.298 -6.030 7.677 1.00 0.00 C ATOM 476 C ASP A 28 3.119 -4.746 7.620 1.00 0.00 C ATOM 477 O ASP A 28 3.319 -4.078 8.635 1.00 0.00 O ATOM 478 CB ASP A 28 3.228 -7.243 7.719 1.00 0.00 C ATOM 479 CG ASP A 28 3.809 -7.479 9.099 1.00 0.00 C ATOM 480 OD1 ASP A 28 4.505 -6.579 9.613 1.00 0.00 O ATOM 481 OD2 ASP A 28 3.568 -8.566 9.667 1.00 0.00 O ATOM 0 H ASP A 28 1.600 -6.890 5.898 1.00 0.00 H new ATOM 0 HA ASP A 28 1.693 -6.017 8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.679 -8.130 7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.040 -7.100 7.006 1.00 0.00 H new ATOM 486 N VAL A 29 3.588 -4.405 6.424 1.00 0.00 N ATOM 487 CA VAL A 29 4.384 -3.199 6.232 1.00 0.00 C ATOM 488 C VAL A 29 3.584 -1.955 6.603 1.00 0.00 C ATOM 489 O VAL A 29 4.062 -1.094 7.342 1.00 0.00 O ATOM 490 CB VAL A 29 4.870 -3.070 4.775 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.822 -1.891 4.631 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.535 -4.360 4.315 1.00 0.00 C ATOM 0 H VAL A 29 3.431 -4.947 5.574 1.00 0.00 H new ATOM 0 HA VAL A 29 5.251 -3.282 6.887 1.00 0.00 H new ATOM 0 HB VAL A 29 4.004 -2.889 4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.154 -1.816 3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.309 -0.972 4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.686 -2.039 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.871 -4.249 3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.391 -4.576 4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.820 -5.180 4.377 1.00 0.00 H new ATOM 502 N LEU A 30 2.361 -1.868 6.086 1.00 0.00 N ATOM 503 CA LEU A 30 1.494 -0.731 6.365 1.00 0.00 C ATOM 504 C LEU A 30 1.153 -0.659 7.850 1.00 0.00 C ATOM 505 O LEU A 30 1.247 0.402 8.470 1.00 0.00 O ATOM 506 CB LEU A 30 0.210 -0.826 5.538 1.00 0.00 C ATOM 507 CG LEU A 30 0.303 -0.245 4.126 1.00 0.00 C ATOM 508 CD1 LEU A 30 -0.672 -0.948 3.194 1.00 0.00 C ATOM 509 CD2 LEU A 30 0.036 1.253 4.149 1.00 0.00 C ATOM 0 H LEU A 30 1.950 -2.572 5.472 1.00 0.00 H new ATOM 0 HA LEU A 30 2.028 0.178 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.080 -1.874 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.588 -0.312 6.074 1.00 0.00 H new ATOM 0 HG LEU A 30 1.313 -0.409 3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.592 -0.521 2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.435 -2.011 3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.689 -0.816 3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.106 1.651 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.963 1.438 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.774 1.744 4.784 1.00 0.00 H new ATOM 521 N ARG A 31 0.760 -1.797 8.418 1.00 0.00 N ATOM 522 CA ARG A 31 0.405 -1.865 9.832 1.00 0.00 C ATOM 523 C ARG A 31 1.546 -1.345 10.701 1.00 0.00 C ATOM 524 O ARG A 31 1.319 -0.667 11.704 1.00 0.00 O ATOM 525 CB ARG A 31 0.062 -3.302 10.227 1.00 0.00 C ATOM 526 CG ARG A 31 -0.628 -3.414 11.577 1.00 0.00 C ATOM 527 CD ARG A 31 -0.884 -4.864 11.956 1.00 0.00 C ATOM 528 NE ARG A 31 -2.277 -5.249 11.745 1.00 0.00 N ATOM 529 CZ ARG A 31 -3.266 -4.944 12.584 1.00 0.00 C ATOM 530 NH1 ARG A 31 -3.017 -4.252 13.689 1.00 0.00 N ATOM 531 NH2 ARG A 31 -4.504 -5.332 12.317 1.00 0.00 N ATOM 0 H ARG A 31 0.680 -2.684 7.920 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.470 -1.235 9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.582 -3.736 9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.978 -3.893 10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.012 -2.941 12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.573 -2.872 11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.236 -5.512 11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.621 -5.017 13.003 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.506 -5.783 10.906 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.065 -3.951 13.899 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.777 -4.021 14.328 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.700 -5.864 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.261 -5.099 12.959 1.00 0.00 H new ATOM 545 N MET A 32 2.772 -1.666 10.305 1.00 0.00 N ATOM 546 CA MET A 32 3.952 -1.228 11.040 1.00 0.00 C ATOM 547 C MET A 32 4.352 0.183 10.626 1.00 0.00 C ATOM 548 O MET A 32 4.904 0.943 11.421 1.00 0.00 O ATOM 549 CB MET A 32 5.115 -2.194 10.804 1.00 0.00 C ATOM 550 CG MET A 32 5.179 -3.330 11.811 1.00 0.00 C ATOM 551 SD MET A 32 6.866 -3.874 12.138 1.00 0.00 S ATOM 552 CE MET A 32 7.130 -3.194 13.774 1.00 0.00 C ATOM 0 H MET A 32 2.975 -2.228 9.479 1.00 0.00 H new ATOM 0 HA MET A 32 3.709 -1.221 12.102 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.030 -2.613 9.801 1.00 0.00 H new ATOM 0 HB3 MET A 32 6.051 -1.637 10.838 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.718 -3.009 12.745 1.00 0.00 H new ATOM 0 HG3 MET A 32 4.595 -4.172 11.440 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.134 -3.447 14.115 1.00 0.00 H new ATOM 0 HE2 MET A 32 7.021 -2.110 13.739 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.396 -3.611 14.464 1.00 0.00 H new ATOM 562 N TYR A 33 4.063 0.527 9.374 1.00 0.00 N ATOM 563 CA TYR A 33 4.388 1.849 8.850 1.00 0.00 C ATOM 564 C TYR A 33 3.683 2.937 9.653 1.00 0.00 C ATOM 565 O TYR A 33 4.200 4.043 9.807 1.00 0.00 O ATOM 566 CB TYR A 33 3.990 1.942 7.373 1.00 0.00 C ATOM 567 CG TYR A 33 4.111 3.335 6.792 1.00 0.00 C ATOM 568 CD1 TYR A 33 5.308 4.034 6.858 1.00 0.00 C ATOM 569 CD2 TYR A 33 3.024 3.949 6.182 1.00 0.00 C ATOM 570 CE1 TYR A 33 5.422 5.306 6.331 1.00 0.00 C ATOM 571 CE2 TYR A 33 3.130 5.221 5.652 1.00 0.00 C ATOM 572 CZ TYR A 33 4.330 5.895 5.730 1.00 0.00 C ATOM 573 OH TYR A 33 4.439 7.162 5.203 1.00 0.00 O ATOM 0 H TYR A 33 3.605 -0.091 8.704 1.00 0.00 H new ATOM 0 HA TYR A 33 5.464 1.999 8.939 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.616 1.262 6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.961 1.601 7.262 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.165 3.576 7.329 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.082 3.424 6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.361 5.836 6.390 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.277 5.685 5.179 1.00 0.00 H new ATOM 0 HH TYR A 33 4.257 7.824 5.902 1.00 0.00 H new ATOM 583 N HIS A 34 2.498 2.617 10.161 1.00 0.00 N ATOM 584 CA HIS A 34 1.722 3.568 10.947 1.00 0.00 C ATOM 585 C HIS A 34 2.359 3.793 12.315 1.00 0.00 C ATOM 586 O HIS A 34 2.481 4.928 12.776 1.00 0.00 O ATOM 587 CB HIS A 34 0.284 3.071 11.112 1.00 0.00 C ATOM 588 CG HIS A 34 -0.748 4.085 10.724 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.496 3.993 9.569 1.00 0.00 N ATOM 590 CD2 HIS A 34 -1.154 5.220 11.344 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.318 5.026 9.496 1.00 0.00 C ATOM 592 NE2 HIS A 34 -2.130 5.784 10.560 1.00 0.00 N ATOM 0 H HIS A 34 2.054 1.706 10.042 1.00 0.00 H new ATOM 0 HA HIS A 34 1.710 4.519 10.414 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.146 2.175 10.507 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.125 2.782 12.151 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.780 5.608 12.280 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.023 5.217 8.701 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.629 6.649 10.767 1.00 0.00 H new ATOM 601 N GLN A 35 2.760 2.704 12.961 1.00 0.00 N ATOM 602 CA GLN A 35 3.382 2.781 14.279 1.00 0.00 C ATOM 603 C GLN A 35 4.816 3.289 14.182 1.00 0.00 C ATOM 604 O GLN A 35 5.251 4.109 14.989 1.00 0.00 O ATOM 605 CB GLN A 35 3.359 1.410 14.957 1.00 0.00 C ATOM 606 CG GLN A 35 1.959 0.845 15.140 1.00 0.00 C ATOM 607 CD GLN A 35 1.677 0.432 16.571 1.00 0.00 C ATOM 608 OE1 GLN A 35 1.217 1.235 17.381 1.00 0.00 O ATOM 609 NE2 GLN A 35 1.954 -0.827 16.889 1.00 0.00 N ATOM 0 H GLN A 35 2.666 1.757 12.594 1.00 0.00 H new ATOM 0 HA GLN A 35 2.809 3.487 14.880 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.949 0.711 14.365 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.841 1.488 15.932 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.227 1.591 14.831 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.831 -0.017 14.485 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.335 -1.459 16.185 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.786 -1.162 17.838 1.00 0.00 H new ATOM 618 N THR A 36 5.546 2.793 13.191 1.00 0.00 N ATOM 619 CA THR A 36 6.933 3.193 12.986 1.00 0.00 C ATOM 620 C THR A 36 7.016 4.553 12.300 1.00 0.00 C ATOM 621 O THR A 36 7.885 5.366 12.615 1.00 0.00 O ATOM 622 CB THR A 36 7.671 2.143 12.154 1.00 0.00 C ATOM 623 OG1 THR A 36 7.142 2.081 10.841 1.00 0.00 O ATOM 624 CG2 THR A 36 7.598 0.751 12.746 1.00 0.00 C ATOM 0 H THR A 36 5.200 2.112 12.515 1.00 0.00 H new ATOM 0 HA THR A 36 7.408 3.272 13.964 1.00 0.00 H new ATOM 0 HB THR A 36 8.713 2.462 12.145 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.186 1.872 10.883 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.141 0.055 12.107 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.044 0.755 13.740 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.556 0.440 12.817 1.00 0.00 H new ATOM 632 N MET A 37 6.105 4.793 11.363 1.00 0.00 N ATOM 633 CA MET A 37 6.073 6.054 10.631 1.00 0.00 C ATOM 634 C MET A 37 7.350 6.244 9.816 1.00 0.00 C ATOM 635 O MET A 37 7.901 7.344 9.753 1.00 0.00 O ATOM 636 CB MET A 37 5.888 7.226 11.597 1.00 0.00 C ATOM 637 CG MET A 37 4.612 7.141 12.418 1.00 0.00 C ATOM 638 SD MET A 37 3.764 8.727 12.553 1.00 0.00 S ATOM 639 CE MET A 37 2.054 8.196 12.595 1.00 0.00 C ATOM 0 H MET A 37 5.378 4.130 11.092 1.00 0.00 H new ATOM 0 HA MET A 37 5.228 6.024 9.944 1.00 0.00 H new ATOM 0 HB2 MET A 37 6.743 7.268 12.272 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.884 8.157 11.030 1.00 0.00 H new ATOM 0 HG2 MET A 37 3.941 6.412 11.964 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.851 6.775 13.417 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.404 9.067 12.677 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.819 7.653 11.679 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.897 7.544 13.454 1.00 0.00 H new ATOM 649 N ASP A 38 7.814 5.166 9.194 1.00 0.00 N ATOM 650 CA ASP A 38 9.024 5.213 8.381 1.00 0.00 C ATOM 651 C ASP A 38 8.686 5.123 6.896 1.00 0.00 C ATOM 652 O ASP A 38 8.453 4.035 6.368 1.00 0.00 O ATOM 653 CB ASP A 38 9.970 4.076 8.770 1.00 0.00 C ATOM 654 CG ASP A 38 10.575 4.273 10.145 1.00 0.00 C ATOM 655 OD1 ASP A 38 11.191 5.335 10.378 1.00 0.00 O ATOM 656 OD2 ASP A 38 10.436 3.364 10.992 1.00 0.00 O ATOM 0 H ASP A 38 7.371 4.248 9.237 1.00 0.00 H new ATOM 0 HA ASP A 38 9.518 6.167 8.566 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.427 3.131 8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.769 4.003 8.032 1.00 0.00 H new ATOM 661 N VAL A 39 8.652 6.272 6.230 1.00 0.00 N ATOM 662 CA VAL A 39 8.337 6.324 4.808 1.00 0.00 C ATOM 663 C VAL A 39 9.457 5.711 3.972 1.00 0.00 C ATOM 664 O VAL A 39 9.202 5.054 2.963 1.00 0.00 O ATOM 665 CB VAL A 39 8.093 7.770 4.336 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.596 7.788 2.899 1.00 0.00 C ATOM 667 CG2 VAL A 39 7.110 8.476 5.260 1.00 0.00 C ATOM 0 H VAL A 39 8.839 7.181 6.653 1.00 0.00 H new ATOM 0 HA VAL A 39 7.424 5.746 4.668 1.00 0.00 H new ATOM 0 HB VAL A 39 9.040 8.309 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.430 8.818 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.341 7.326 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.661 7.232 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.950 9.496 4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.161 7.940 5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.514 8.498 6.272 1.00 0.00 H new ATOM 677 N ALA A 40 10.696 5.931 4.400 1.00 0.00 N ATOM 678 CA ALA A 40 11.855 5.401 3.690 1.00 0.00 C ATOM 679 C ALA A 40 11.762 3.887 3.533 1.00 0.00 C ATOM 680 O ALA A 40 11.987 3.349 2.448 1.00 0.00 O ATOM 681 CB ALA A 40 13.136 5.779 4.418 1.00 0.00 C ATOM 0 H ALA A 40 10.923 6.472 5.234 1.00 0.00 H new ATOM 0 HA ALA A 40 11.870 5.841 2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.993 5.377 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.217 6.865 4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.117 5.366 5.427 1.00 0.00 H new ATOM 687 N VAL A 41 11.429 3.203 4.623 1.00 0.00 N ATOM 688 CA VAL A 41 11.306 1.751 4.606 1.00 0.00 C ATOM 689 C VAL A 41 10.040 1.313 3.877 1.00 0.00 C ATOM 690 O VAL A 41 10.030 0.294 3.188 1.00 0.00 O ATOM 691 CB VAL A 41 11.290 1.171 6.035 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.330 -0.348 5.997 1.00 0.00 C ATOM 693 CG2 VAL A 41 12.452 1.723 6.848 1.00 0.00 C ATOM 0 H VAL A 41 11.240 3.632 5.529 1.00 0.00 H new ATOM 0 HA VAL A 41 12.177 1.367 4.076 1.00 0.00 H new ATOM 0 HB VAL A 41 10.361 1.473 6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.318 -0.738 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.461 -0.721 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.240 -0.676 5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.425 1.303 7.853 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.393 1.454 6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.372 2.809 6.906 1.00 0.00 H new ATOM 703 N LEU A 42 8.975 2.089 4.040 1.00 0.00 N ATOM 704 CA LEU A 42 7.700 1.784 3.401 1.00 0.00 C ATOM 705 C LEU A 42 7.848 1.709 1.884 1.00 0.00 C ATOM 706 O LEU A 42 7.444 0.729 1.259 1.00 0.00 O ATOM 707 CB LEU A 42 6.657 2.842 3.770 1.00 0.00 C ATOM 708 CG LEU A 42 5.290 2.666 3.107 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.407 1.744 3.934 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.618 4.017 2.908 1.00 0.00 C ATOM 0 H LEU A 42 8.969 2.935 4.610 1.00 0.00 H new ATOM 0 HA LEU A 42 7.368 0.810 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.522 2.835 4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.049 3.824 3.504 1.00 0.00 H new ATOM 0 HG LEU A 42 5.438 2.208 2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.439 1.632 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.883 0.768 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.265 2.171 4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.646 3.874 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.483 4.502 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.243 4.644 2.271 1.00 0.00 H new ATOM 722 N VAL A 43 8.431 2.749 1.297 1.00 0.00 N ATOM 723 CA VAL A 43 8.629 2.799 -0.147 1.00 0.00 C ATOM 724 C VAL A 43 9.502 1.645 -0.625 1.00 0.00 C ATOM 725 O VAL A 43 9.253 1.059 -1.679 1.00 0.00 O ATOM 726 CB VAL A 43 9.275 4.129 -0.579 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.300 4.242 -2.096 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.538 5.309 0.040 1.00 0.00 C ATOM 0 H VAL A 43 8.774 3.568 1.799 1.00 0.00 H new ATOM 0 HA VAL A 43 7.643 2.716 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 43 10.304 4.145 -0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.760 5.188 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.877 3.417 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.281 4.203 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.009 6.239 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.498 5.300 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.578 5.234 1.127 1.00 0.00 H new ATOM 738 N GLY A 44 10.529 1.322 0.155 1.00 0.00 N ATOM 739 CA GLY A 44 11.425 0.240 -0.207 1.00 0.00 C ATOM 740 C GLY A 44 10.705 -1.084 -0.381 1.00 0.00 C ATOM 741 O GLY A 44 10.798 -1.715 -1.433 1.00 0.00 O ATOM 0 H GLY A 44 10.756 1.791 1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.939 0.494 -1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.190 0.134 0.562 1.00 0.00 H new ATOM 745 N ASP A 45 9.986 -1.504 0.655 1.00 0.00 N ATOM 746 CA ASP A 45 9.250 -2.762 0.615 1.00 0.00 C ATOM 747 C ASP A 45 8.199 -2.749 -0.492 1.00 0.00 C ATOM 748 O ASP A 45 7.967 -3.760 -1.153 1.00 0.00 O ATOM 749 CB ASP A 45 8.581 -3.028 1.966 1.00 0.00 C ATOM 750 CG ASP A 45 8.322 -4.503 2.203 1.00 0.00 C ATOM 751 OD1 ASP A 45 7.914 -5.195 1.247 1.00 0.00 O ATOM 752 OD2 ASP A 45 8.529 -4.965 3.345 1.00 0.00 O ATOM 0 H ASP A 45 9.898 -0.991 1.532 1.00 0.00 H new ATOM 0 HA ASP A 45 9.961 -3.561 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.214 -2.640 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.638 -2.484 2.015 1.00 0.00 H new ATOM 757 N LEU A 46 7.565 -1.596 -0.685 1.00 0.00 N ATOM 758 CA LEU A 46 6.536 -1.454 -1.710 1.00 0.00 C ATOM 759 C LEU A 46 7.109 -1.704 -3.103 1.00 0.00 C ATOM 760 O LEU A 46 6.427 -2.232 -3.979 1.00 0.00 O ATOM 761 CB LEU A 46 5.911 -0.058 -1.641 1.00 0.00 C ATOM 762 CG LEU A 46 4.547 0.007 -0.947 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.519 1.127 0.082 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.431 0.189 -1.969 1.00 0.00 C ATOM 0 H LEU A 46 7.745 -0.749 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 46 5.765 -2.201 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.599 0.606 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.804 0.326 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 46 4.385 -0.937 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.541 1.155 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.288 0.950 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.708 2.080 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.471 0.233 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.590 1.116 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.433 -0.651 -2.663 1.00 0.00 H new ATOM 776 N LYS A 47 8.366 -1.320 -3.301 1.00 0.00 N ATOM 777 CA LYS A 47 9.024 -1.503 -4.590 1.00 0.00 C ATOM 778 C LYS A 47 9.384 -2.968 -4.818 1.00 0.00 C ATOM 779 O LYS A 47 9.055 -3.547 -5.854 1.00 0.00 O ATOM 780 CB LYS A 47 10.282 -0.636 -4.671 1.00 0.00 C ATOM 781 CG LYS A 47 10.496 0.005 -6.033 1.00 0.00 C ATOM 782 CD LYS A 47 11.081 1.404 -5.909 1.00 0.00 C ATOM 783 CE LYS A 47 10.104 2.466 -6.391 1.00 0.00 C ATOM 784 NZ LYS A 47 8.766 2.320 -5.753 1.00 0.00 N ATOM 0 H LYS A 47 8.948 -0.881 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 47 8.328 -1.196 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.222 0.148 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.150 -1.248 -4.427 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.164 -0.618 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.546 0.053 -6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.345 1.597 -4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.002 1.466 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.505 3.455 -6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.999 2.398 -7.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.314 3.254 -5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.171 1.695 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.877 1.910 -4.804 1.00 0.00 H new ATOM 798 N LEU A 48 10.063 -3.565 -3.843 1.00 0.00 N ATOM 799 CA LEU A 48 10.472 -4.962 -3.936 1.00 0.00 C ATOM 800 C LEU A 48 9.273 -5.875 -4.175 1.00 0.00 C ATOM 801 O LEU A 48 9.385 -6.898 -4.848 1.00 0.00 O ATOM 802 CB LEU A 48 11.201 -5.387 -2.660 1.00 0.00 C ATOM 803 CG LEU A 48 12.356 -4.477 -2.239 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.420 -4.358 -0.724 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.673 -5.001 -2.791 1.00 0.00 C ATOM 0 H LEU A 48 10.342 -3.102 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 48 11.148 -5.056 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.479 -5.432 -1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.587 -6.397 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 48 12.180 -3.484 -2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.248 -3.707 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.486 -3.937 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.572 -5.345 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.485 -4.342 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.855 -6.005 -2.407 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.625 -5.032 -3.879 1.00 0.00 H new ATOM 817 N VAL A 49 8.129 -5.504 -3.610 1.00 0.00 N ATOM 818 CA VAL A 49 6.915 -6.298 -3.758 1.00 0.00 C ATOM 819 C VAL A 49 6.119 -5.874 -4.989 1.00 0.00 C ATOM 820 O VAL A 49 5.674 -6.712 -5.773 1.00 0.00 O ATOM 821 CB VAL A 49 6.028 -6.202 -2.494 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.100 -4.994 -2.536 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.231 -7.484 -2.302 1.00 0.00 C ATOM 0 H VAL A 49 8.017 -4.661 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 49 7.223 -7.335 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 49 6.693 -6.069 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.496 -4.967 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.693 -4.082 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.446 -5.068 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.613 -7.398 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.593 -7.649 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.916 -8.325 -2.190 1.00 0.00 H new ATOM 833 N ILE A 50 5.942 -4.568 -5.149 1.00 0.00 N ATOM 834 CA ILE A 50 5.195 -4.032 -6.282 1.00 0.00 C ATOM 835 C ILE A 50 6.112 -3.708 -7.463 1.00 0.00 C ATOM 836 O ILE A 50 5.746 -2.932 -8.345 1.00 0.00 O ATOM 837 CB ILE A 50 4.407 -2.764 -5.896 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.663 -2.978 -4.573 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.433 -2.387 -7.007 1.00 0.00 C ATOM 840 CD1 ILE A 50 2.657 -1.893 -4.252 1.00 0.00 C ATOM 0 H ILE A 50 6.305 -3.861 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 50 4.493 -4.811 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 50 5.111 -1.943 -5.763 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.148 -3.938 -4.608 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.391 -3.036 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.884 -1.490 -6.721 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.986 -2.196 -7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.732 -3.206 -7.169 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.172 -2.116 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.168 -0.932 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.906 -1.849 -5.040 1.00 0.00 H new ATOM 852 N ASN A 51 7.299 -4.308 -7.482 1.00 0.00 N ATOM 853 CA ASN A 51 8.254 -4.077 -8.564 1.00 0.00 C ATOM 854 C ASN A 51 7.613 -4.376 -9.918 1.00 0.00 C ATOM 855 O ASN A 51 7.810 -3.641 -10.886 1.00 0.00 O ATOM 856 CB ASN A 51 9.500 -4.944 -8.369 1.00 0.00 C ATOM 857 CG ASN A 51 10.713 -4.127 -7.964 1.00 0.00 C ATOM 858 OD1 ASN A 51 10.914 -3.014 -8.449 1.00 0.00 O ATOM 859 ND2 ASN A 51 11.528 -4.679 -7.073 1.00 0.00 N ATOM 0 H ASN A 51 7.623 -4.956 -6.764 1.00 0.00 H new ATOM 0 HA ASN A 51 8.549 -3.028 -8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.300 -5.696 -7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.717 -5.478 -9.294 1.00 0.00 H new ATOM 0 HD21 ASN A 51 12.361 -4.177 -6.764 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.321 -5.605 -6.698 1.00 0.00 H new ATOM 866 N GLU A 52 6.841 -5.457 -9.971 1.00 0.00 N ATOM 867 CA GLU A 52 6.163 -5.857 -11.196 1.00 0.00 C ATOM 868 C GLU A 52 5.255 -4.737 -11.701 1.00 0.00 C ATOM 869 O GLU A 52 4.269 -4.389 -11.051 1.00 0.00 O ATOM 870 CB GLU A 52 5.341 -7.126 -10.960 1.00 0.00 C ATOM 871 CG GLU A 52 6.070 -8.184 -10.148 1.00 0.00 C ATOM 872 CD GLU A 52 5.428 -9.552 -10.263 1.00 0.00 C ATOM 873 OE1 GLU A 52 4.787 -9.822 -11.300 1.00 0.00 O ATOM 874 OE2 GLU A 52 5.566 -10.353 -9.315 1.00 0.00 O ATOM 0 H GLU A 52 6.670 -6.073 -9.176 1.00 0.00 H new ATOM 0 HA GLU A 52 6.921 -6.060 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.417 -6.860 -10.447 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.059 -7.550 -11.924 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.106 -8.244 -10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.090 -7.883 -9.101 1.00 0.00 H new ATOM 881 N PRO A 53 5.579 -4.156 -12.868 1.00 0.00 N ATOM 882 CA PRO A 53 4.796 -3.071 -13.465 1.00 0.00 C ATOM 883 C PRO A 53 3.287 -3.291 -13.349 1.00 0.00 C ATOM 884 O PRO A 53 2.515 -2.333 -13.298 1.00 0.00 O ATOM 885 CB PRO A 53 5.232 -3.105 -14.926 1.00 0.00 C ATOM 886 CG PRO A 53 6.642 -3.587 -14.886 1.00 0.00 C ATOM 887 CD PRO A 53 6.744 -4.513 -13.698 1.00 0.00 C ATOM 0 HA PRO A 53 4.971 -2.118 -12.966 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.601 -3.773 -15.513 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.163 -2.118 -15.383 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.900 -4.108 -15.808 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.335 -2.752 -14.787 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.712 -5.559 -14.003 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.679 -4.367 -13.157 1.00 0.00 H new ATOM 895 N SER A 54 2.875 -4.553 -13.313 1.00 0.00 N ATOM 896 CA SER A 54 1.459 -4.890 -13.207 1.00 0.00 C ATOM 897 C SER A 54 0.896 -4.485 -11.848 1.00 0.00 C ATOM 898 O SER A 54 -0.270 -4.099 -11.738 1.00 0.00 O ATOM 899 CB SER A 54 1.254 -6.390 -13.430 1.00 0.00 C ATOM 900 OG SER A 54 2.056 -7.152 -12.543 1.00 0.00 O ATOM 0 H SER A 54 3.499 -5.359 -13.355 1.00 0.00 H new ATOM 0 HA SER A 54 0.923 -4.335 -13.978 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.204 -6.642 -13.284 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.503 -6.645 -14.460 1.00 0.00 H new ATOM 0 HG SER A 54 1.906 -8.107 -12.704 1.00 0.00 H new ATOM 906 N ARG A 55 1.725 -4.579 -10.814 1.00 0.00 N ATOM 907 CA ARG A 55 1.308 -4.227 -9.459 1.00 0.00 C ATOM 908 C ARG A 55 1.392 -2.719 -9.220 1.00 0.00 C ATOM 909 O ARG A 55 0.876 -2.214 -8.223 1.00 0.00 O ATOM 910 CB ARG A 55 2.171 -4.963 -8.432 1.00 0.00 C ATOM 911 CG ARG A 55 1.891 -6.455 -8.353 1.00 0.00 C ATOM 912 CD ARG A 55 3.096 -7.222 -7.833 1.00 0.00 C ATOM 913 NE ARG A 55 2.761 -8.604 -7.491 1.00 0.00 N ATOM 914 CZ ARG A 55 2.260 -8.979 -6.317 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.025 -8.082 -5.367 1.00 0.00 N ATOM 916 NH2 ARG A 55 1.987 -10.258 -6.092 1.00 0.00 N ATOM 0 H ARG A 55 2.692 -4.896 -10.887 1.00 0.00 H new ATOM 0 HA ARG A 55 0.268 -4.531 -9.344 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.222 -4.812 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.008 -4.520 -7.450 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.037 -6.632 -7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.620 -6.828 -9.341 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.883 -7.216 -8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.495 -6.717 -6.953 1.00 0.00 H new ATOM 0 HE ARG A 55 2.921 -9.324 -8.195 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.229 -7.097 -5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.641 -8.378 -4.470 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.161 -10.952 -6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.603 -10.547 -5.192 1.00 0.00 H new ATOM 930 N LEU A 56 2.044 -2.003 -10.134 1.00 0.00 N ATOM 931 CA LEU A 56 2.196 -0.555 -10.014 1.00 0.00 C ATOM 932 C LEU A 56 0.881 0.128 -9.628 1.00 0.00 C ATOM 933 O LEU A 56 0.812 0.819 -8.611 1.00 0.00 O ATOM 934 CB LEU A 56 2.717 0.034 -11.326 1.00 0.00 C ATOM 935 CG LEU A 56 4.227 -0.084 -11.534 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.607 0.339 -12.944 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.972 0.751 -10.505 1.00 0.00 C ATOM 0 H LEU A 56 2.476 -2.403 -10.967 1.00 0.00 H new ATOM 0 HA LEU A 56 2.917 -0.370 -9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.212 -0.462 -12.155 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.441 1.088 -11.368 1.00 0.00 H new ATOM 0 HG LEU A 56 4.513 -1.128 -11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.686 0.248 -13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.100 -0.302 -13.665 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.308 1.375 -13.106 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.046 0.656 -10.667 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.681 1.797 -10.606 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.724 0.400 -9.503 1.00 0.00 H new ATOM 949 N PRO A 57 -0.183 -0.050 -10.436 1.00 0.00 N ATOM 950 CA PRO A 57 -1.490 0.556 -10.172 1.00 0.00 C ATOM 951 C PRO A 57 -1.907 0.452 -8.707 1.00 0.00 C ATOM 952 O PRO A 57 -2.653 1.292 -8.206 1.00 0.00 O ATOM 953 CB PRO A 57 -2.457 -0.243 -11.066 1.00 0.00 C ATOM 954 CG PRO A 57 -1.634 -1.311 -11.719 1.00 0.00 C ATOM 955 CD PRO A 57 -0.209 -0.843 -11.668 1.00 0.00 C ATOM 0 HA PRO A 57 -1.481 1.625 -10.385 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.263 -0.679 -10.476 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.921 0.402 -11.812 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.749 -2.262 -11.198 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.953 -1.471 -12.749 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.492 -1.677 -11.629 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.054 -0.246 -12.541 1.00 0.00 H new ATOM 963 N LEU A 58 -1.421 -0.579 -8.023 1.00 0.00 N ATOM 964 CA LEU A 58 -1.746 -0.783 -6.614 1.00 0.00 C ATOM 965 C LEU A 58 -1.398 0.454 -5.789 1.00 0.00 C ATOM 966 O LEU A 58 -2.060 0.755 -4.798 1.00 0.00 O ATOM 967 CB LEU A 58 -1.000 -2.001 -6.067 1.00 0.00 C ATOM 968 CG LEU A 58 -1.716 -2.754 -4.943 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.827 -3.856 -4.387 1.00 0.00 C ATOM 970 CD2 LEU A 58 -2.135 -1.795 -3.838 1.00 0.00 C ATOM 0 H LEU A 58 -0.802 -1.286 -8.420 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.819 -0.958 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.818 -2.694 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.026 -1.676 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.614 -3.214 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.353 -4.380 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.580 -4.560 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.090 -3.419 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.642 -2.349 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.252 -1.305 -3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.811 -1.043 -4.246 1.00 0.00 H new ATOM 982 N PHE A 59 -0.353 1.165 -6.207 1.00 0.00 N ATOM 983 CA PHE A 59 0.089 2.370 -5.506 1.00 0.00 C ATOM 984 C PHE A 59 -1.079 3.319 -5.254 1.00 0.00 C ATOM 985 O PHE A 59 -1.145 3.977 -4.212 1.00 0.00 O ATOM 986 CB PHE A 59 1.171 3.086 -6.318 1.00 0.00 C ATOM 987 CG PHE A 59 2.568 2.650 -5.978 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.023 1.391 -6.334 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.427 3.502 -5.300 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.307 0.989 -6.023 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.714 3.105 -4.986 1.00 0.00 C ATOM 992 CZ PHE A 59 5.154 1.847 -5.348 1.00 0.00 C ATOM 0 H PHE A 59 0.204 0.928 -7.028 1.00 0.00 H new ATOM 0 HA PHE A 59 0.500 2.067 -4.543 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.993 2.910 -7.379 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.085 4.160 -6.154 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.366 0.716 -6.861 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.087 4.486 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.649 0.005 -6.307 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.374 3.778 -4.458 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.159 1.534 -5.104 1.00 0.00 H new ATOM 1002 N ASP A 60 -2.001 3.384 -6.209 1.00 0.00 N ATOM 1003 CA ASP A 60 -3.166 4.251 -6.087 1.00 0.00 C ATOM 1004 C ASP A 60 -3.906 3.977 -4.784 1.00 0.00 C ATOM 1005 O ASP A 60 -4.270 4.901 -4.061 1.00 0.00 O ATOM 1006 CB ASP A 60 -4.107 4.049 -7.275 1.00 0.00 C ATOM 1007 CG ASP A 60 -3.808 5.001 -8.416 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -3.583 6.199 -8.148 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -3.799 4.548 -9.580 1.00 0.00 O ATOM 0 H ASP A 60 -1.964 2.847 -7.075 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.822 5.285 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.024 3.022 -7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.137 4.190 -6.948 1.00 0.00 H new ATOM 1014 N ALA A 61 -4.119 2.700 -4.494 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.809 2.289 -3.275 1.00 0.00 C ATOM 1016 C ALA A 61 -3.938 2.509 -2.040 1.00 0.00 C ATOM 1017 O ALA A 61 -4.450 2.674 -0.932 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.223 0.829 -3.376 1.00 0.00 C ATOM 0 H ALA A 61 -3.823 1.926 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.700 2.907 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.737 0.532 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.892 0.698 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.337 0.208 -3.512 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.621 2.508 -2.234 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.688 2.706 -1.128 1.00 0.00 C ATOM 1026 C ILE A 62 -1.780 4.123 -0.570 1.00 0.00 C ATOM 1027 O ILE A 62 -1.646 4.332 0.637 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.233 2.432 -1.559 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.127 1.073 -2.255 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.696 2.485 -0.354 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.653 -0.076 -1.422 1.00 0.00 C ATOM 0 H ILE A 62 -2.178 2.373 -3.143 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.971 1.994 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 62 0.069 3.206 -2.265 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.678 1.111 -3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.917 0.882 -2.505 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.719 2.290 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.642 3.473 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.393 1.731 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.546 -1.007 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.087 -0.141 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.706 0.092 -1.194 1.00 0.00 H new ATOM 1043 N ARG A 63 -2.005 5.096 -1.448 1.00 0.00 N ATOM 1044 CA ARG A 63 -2.107 6.492 -1.028 1.00 0.00 C ATOM 1045 C ARG A 63 -3.209 6.672 0.018 1.00 0.00 C ATOM 1046 O ARG A 63 -2.945 7.106 1.140 1.00 0.00 O ATOM 1047 CB ARG A 63 -2.377 7.392 -2.237 1.00 0.00 C ATOM 1048 CG ARG A 63 -1.136 8.085 -2.772 1.00 0.00 C ATOM 1049 CD ARG A 63 -1.335 8.549 -4.206 1.00 0.00 C ATOM 1050 NE ARG A 63 -0.843 7.568 -5.170 1.00 0.00 N ATOM 1051 CZ ARG A 63 -1.334 7.420 -6.400 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -2.325 8.194 -6.827 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -0.831 6.497 -7.208 1.00 0.00 N ATOM 0 H ARG A 63 -2.120 4.946 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.157 6.779 -0.576 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.819 6.793 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.113 8.147 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.895 8.941 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.287 7.403 -2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.394 8.733 -4.384 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.817 9.496 -4.356 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.076 6.959 -4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.716 8.908 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.695 8.075 -7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.068 5.900 -6.888 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.207 6.384 -8.149 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.465 6.334 -0.335 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.610 6.451 0.573 1.00 0.00 C ATOM 1069 C PRO A 64 -5.284 6.004 1.996 1.00 0.00 C ATOM 1070 O PRO A 64 -5.548 6.724 2.959 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.634 5.512 -0.062 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.353 5.594 -1.521 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.867 5.807 -1.652 1.00 0.00 C ATOM 0 HA PRO A 64 -5.948 7.482 0.681 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.522 4.493 0.308 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.654 5.823 0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.661 4.680 -2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.906 6.415 -1.978 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.349 4.876 -1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.633 6.510 -2.452 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.705 4.815 2.120 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.335 4.278 3.425 1.00 0.00 C ATOM 1083 C LEU A 65 -3.237 5.122 4.049 1.00 0.00 C ATOM 1084 O LEU A 65 -3.194 5.315 5.264 1.00 0.00 O ATOM 1085 CB LEU A 65 -3.869 2.826 3.292 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.790 1.924 2.468 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.185 0.536 2.325 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -6.167 1.845 3.108 1.00 0.00 C ATOM 0 H LEU A 65 -4.482 4.205 1.334 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.212 4.306 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.878 2.818 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.766 2.400 4.290 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.898 2.355 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.853 -0.093 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.220 0.610 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.048 0.095 3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.810 1.200 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.078 1.436 4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.602 2.843 3.160 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.351 5.624 3.200 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.243 6.454 3.641 1.00 0.00 C ATOM 1102 C ILE A 66 -1.743 7.834 4.082 1.00 0.00 C ATOM 1103 O ILE A 66 -2.416 8.528 3.320 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.194 6.598 2.512 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.916 5.563 2.687 1.00 0.00 C ATOM 1106 CG2 ILE A 66 0.392 8.003 2.467 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.536 5.114 1.381 1.00 0.00 C ATOM 0 H ILE A 66 -2.381 5.468 2.192 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.771 5.970 4.496 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.699 6.421 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.695 5.982 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.512 4.694 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.124 8.066 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.406 8.724 2.289 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.877 8.225 3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.316 4.380 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.769 4.665 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.970 5.973 0.870 1.00 0.00 H new ATOM 1119 N PRO A 67 -1.421 8.255 5.322 1.00 0.00 N ATOM 1120 CA PRO A 67 -1.845 9.554 5.849 1.00 0.00 C ATOM 1121 C PRO A 67 -1.571 10.696 4.873 1.00 0.00 C ATOM 1122 O PRO A 67 -0.724 10.582 3.989 1.00 0.00 O ATOM 1123 CB PRO A 67 -1.019 9.730 7.135 1.00 0.00 C ATOM 1124 CG PRO A 67 -0.052 8.589 7.169 1.00 0.00 C ATOM 1125 CD PRO A 67 -0.629 7.506 6.304 1.00 0.00 C ATOM 0 HA PRO A 67 -2.921 9.580 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.494 10.685 7.133 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -1.662 9.722 8.015 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.925 8.899 6.800 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.091 8.234 8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.151 6.913 5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.247 6.816 6.879 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.310 11.791 5.037 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.167 12.961 4.165 1.00 0.00 C ATOM 1135 C LEU A 68 -0.705 13.390 4.032 1.00 0.00 C ATOM 1136 O LEU A 68 -0.092 13.211 2.980 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.007 14.151 4.670 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.750 13.947 5.995 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.771 13.829 7.154 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.720 15.093 6.236 1.00 0.00 C ATOM 0 H LEU A 68 -3.016 11.895 5.766 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.535 12.662 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.349 15.013 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.739 14.402 3.903 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.314 13.016 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.323 13.685 8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.111 12.977 6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.177 14.740 7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.241 14.936 7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.170 16.033 6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.445 15.133 5.423 1.00 0.00 H new ATOM 1152 N LYS A 69 -0.157 13.969 5.099 1.00 0.00 N ATOM 1153 CA LYS A 69 1.230 14.433 5.102 1.00 0.00 C ATOM 1154 C LYS A 69 2.161 13.413 4.450 1.00 0.00 C ATOM 1155 O LYS A 69 2.946 13.750 3.560 1.00 0.00 O ATOM 1156 CB LYS A 69 1.686 14.711 6.537 1.00 0.00 C ATOM 1157 CG LYS A 69 1.878 16.189 6.836 1.00 0.00 C ATOM 1158 CD LYS A 69 0.977 16.654 7.970 1.00 0.00 C ATOM 1159 CE LYS A 69 1.747 16.793 9.274 1.00 0.00 C ATOM 1160 NZ LYS A 69 0.930 16.381 10.450 1.00 0.00 N ATOM 0 H LYS A 69 -0.654 14.129 5.975 1.00 0.00 H new ATOM 0 HA LYS A 69 1.277 15.353 4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.951 14.301 7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.624 14.186 6.720 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.919 16.375 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.666 16.772 5.940 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.527 17.612 7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.161 15.943 8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.650 16.184 9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.066 17.828 9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.492 16.491 11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.081 16.978 10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.647 15.386 10.344 1.00 0.00 H new ATOM 1174 N HIS A 70 2.066 12.170 4.899 1.00 0.00 N ATOM 1175 CA HIS A 70 2.898 11.102 4.360 1.00 0.00 C ATOM 1176 C HIS A 70 2.566 10.841 2.896 1.00 0.00 C ATOM 1177 O HIS A 70 3.420 10.403 2.126 1.00 0.00 O ATOM 1178 CB HIS A 70 2.719 9.826 5.179 1.00 0.00 C ATOM 1179 CG HIS A 70 3.090 9.989 6.621 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.323 8.923 7.464 1.00 0.00 N ATOM 1181 CD2 HIS A 70 3.268 11.105 7.369 1.00 0.00 C ATOM 1182 CE1 HIS A 70 3.627 9.376 8.668 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.602 10.695 8.636 1.00 0.00 N ATOM 0 H HIS A 70 1.423 11.876 5.634 1.00 0.00 H new ATOM 0 HA HIS A 70 3.940 11.417 4.423 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.680 9.503 5.113 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.327 9.034 4.742 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.166 12.126 7.032 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.857 8.769 9.532 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.799 11.311 9.425 1.00 0.00 H new ATOM 1192 N GLN A 71 1.324 11.120 2.512 1.00 0.00 N ATOM 1193 CA GLN A 71 0.889 10.922 1.134 1.00 0.00 C ATOM 1194 C GLN A 71 1.700 11.803 0.192 1.00 0.00 C ATOM 1195 O GLN A 71 2.305 11.320 -0.768 1.00 0.00 O ATOM 1196 CB GLN A 71 -0.604 11.236 0.993 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.416 10.091 0.411 1.00 0.00 C ATOM 1198 CD GLN A 71 -2.494 10.566 -0.543 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -2.085 11.002 -1.729 1.00 0.00 O flip ATOM 1200 NE2 GLN A 71 -3.682 10.542 -0.217 1.00 0.00 N flip ATOM 0 H GLN A 71 0.602 11.483 3.135 1.00 0.00 H new ATOM 0 HA GLN A 71 1.053 9.878 0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.006 11.494 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.723 12.114 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.748 9.407 -0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.877 9.528 1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.951 10.199 0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.396 10.865 -0.869 1.00 0.00 H new ATOM 1209 N VAL A 72 1.712 13.098 0.481 1.00 0.00 N ATOM 1210 CA VAL A 72 2.451 14.057 -0.327 1.00 0.00 C ATOM 1211 C VAL A 72 3.929 13.690 -0.385 1.00 0.00 C ATOM 1212 O VAL A 72 4.522 13.631 -1.462 1.00 0.00 O ATOM 1213 CB VAL A 72 2.312 15.488 0.226 1.00 0.00 C ATOM 1214 CG1 VAL A 72 2.921 16.496 -0.737 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.850 15.815 0.496 1.00 0.00 C ATOM 0 H VAL A 72 1.216 13.509 1.272 1.00 0.00 H new ATOM 0 HA VAL A 72 2.025 14.023 -1.330 1.00 0.00 H new ATOM 0 HB VAL A 72 2.856 15.548 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.813 17.501 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.979 16.273 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.408 16.438 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.770 16.830 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.282 15.737 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.449 15.113 1.227 1.00 0.00 H new ATOM 1225 N GLU A 73 4.518 13.435 0.779 1.00 0.00 N ATOM 1226 CA GLU A 73 5.926 13.065 0.851 1.00 0.00 C ATOM 1227 C GLU A 73 6.163 11.730 0.161 1.00 0.00 C ATOM 1228 O GLU A 73 7.199 11.523 -0.472 1.00 0.00 O ATOM 1229 CB GLU A 73 6.391 12.997 2.307 1.00 0.00 C ATOM 1230 CG GLU A 73 7.862 12.641 2.459 1.00 0.00 C ATOM 1231 CD GLU A 73 8.608 13.611 3.355 1.00 0.00 C ATOM 1232 OE1 GLU A 73 8.688 14.805 3.001 1.00 0.00 O ATOM 1233 OE2 GLU A 73 9.112 13.174 4.412 1.00 0.00 O ATOM 0 H GLU A 73 4.044 13.478 1.681 1.00 0.00 H new ATOM 0 HA GLU A 73 6.506 13.831 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.207 13.960 2.784 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.790 12.259 2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.948 11.635 2.869 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.332 12.626 1.476 1.00 0.00 H new ATOM 1240 N TYR A 74 5.190 10.830 0.267 1.00 0.00 N ATOM 1241 CA TYR A 74 5.294 9.524 -0.369 1.00 0.00 C ATOM 1242 C TYR A 74 5.522 9.703 -1.863 1.00 0.00 C ATOM 1243 O TYR A 74 6.318 8.991 -2.476 1.00 0.00 O ATOM 1244 CB TYR A 74 4.028 8.701 -0.123 1.00 0.00 C ATOM 1245 CG TYR A 74 4.086 7.308 -0.708 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.152 6.462 -0.432 1.00 0.00 C ATOM 1247 CD2 TYR A 74 3.073 6.839 -1.536 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.208 5.187 -0.964 1.00 0.00 C ATOM 1249 CE2 TYR A 74 3.121 5.566 -2.072 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.191 4.745 -1.783 1.00 0.00 C ATOM 1251 OH TYR A 74 4.241 3.477 -2.314 1.00 0.00 O ATOM 0 H TYR A 74 4.325 10.981 0.785 1.00 0.00 H new ATOM 0 HA TYR A 74 6.138 8.987 0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.856 8.628 0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.174 9.229 -0.548 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.951 6.806 0.209 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.234 7.480 -1.764 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.044 4.541 -0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.325 5.216 -2.713 1.00 0.00 H new ATOM 0 HH TYR A 74 3.995 3.509 -3.262 1.00 0.00 H new ATOM 1261 N ASP A 75 4.827 10.681 -2.434 1.00 0.00 N ATOM 1262 CA ASP A 75 4.956 10.987 -3.850 1.00 0.00 C ATOM 1263 C ASP A 75 6.294 11.665 -4.125 1.00 0.00 C ATOM 1264 O ASP A 75 6.889 11.477 -5.187 1.00 0.00 O ATOM 1265 CB ASP A 75 3.809 11.891 -4.307 1.00 0.00 C ATOM 1266 CG ASP A 75 2.560 11.106 -4.659 1.00 0.00 C ATOM 1267 OD1 ASP A 75 1.796 10.760 -3.734 1.00 0.00 O ATOM 1268 OD2 ASP A 75 2.348 10.836 -5.859 1.00 0.00 O ATOM 0 H ASP A 75 4.167 11.276 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 75 4.912 10.053 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.576 12.605 -3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.129 12.469 -5.174 1.00 0.00 H new ATOM 1273 N GLN A 76 6.766 12.453 -3.160 1.00 0.00 N ATOM 1274 CA GLN A 76 8.036 13.155 -3.300 1.00 0.00 C ATOM 1275 C GLN A 76 9.198 12.168 -3.359 1.00 0.00 C ATOM 1276 O GLN A 76 10.184 12.397 -4.059 1.00 0.00 O ATOM 1277 CB GLN A 76 8.238 14.129 -2.138 1.00 0.00 C ATOM 1278 CG GLN A 76 7.435 15.412 -2.273 1.00 0.00 C ATOM 1279 CD GLN A 76 8.160 16.614 -1.701 1.00 0.00 C ATOM 1280 OE1 GLN A 76 9.382 16.726 -1.804 1.00 0.00 O ATOM 1281 NE2 GLN A 76 7.409 17.524 -1.091 1.00 0.00 N ATOM 0 H GLN A 76 6.287 12.620 -2.275 1.00 0.00 H new ATOM 0 HA GLN A 76 8.010 13.717 -4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.962 13.633 -1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.296 14.379 -2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.216 15.591 -3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.478 15.293 -1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.399 17.393 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.842 18.354 -0.686 1.00 0.00 H new ATOM 1290 N LEU A 77 9.071 11.072 -2.620 1.00 0.00 N ATOM 1291 CA LEU A 77 10.111 10.049 -2.586 1.00 0.00 C ATOM 1292 C LEU A 77 10.008 9.128 -3.796 1.00 0.00 C ATOM 1293 O LEU A 77 11.019 8.740 -4.382 1.00 0.00 O ATOM 1294 CB LEU A 77 10.007 9.228 -1.298 1.00 0.00 C ATOM 1295 CG LEU A 77 10.187 10.027 -0.006 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.508 9.319 1.158 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.663 10.243 0.286 1.00 0.00 C ATOM 0 H LEU A 77 8.259 10.868 -2.037 1.00 0.00 H new ATOM 0 HA LEU A 77 11.079 10.550 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.032 8.741 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.758 8.438 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 77 9.717 11.002 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.646 9.902 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.443 9.217 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.948 8.330 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.772 10.813 1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.157 9.278 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.120 10.793 -0.537 1.00 0.00 H new ATOM 1309 N THR A 78 8.781 8.783 -4.164 1.00 0.00 N ATOM 1310 CA THR A 78 8.542 7.906 -5.305 1.00 0.00 C ATOM 1311 C THR A 78 8.695 8.670 -6.618 1.00 0.00 C ATOM 1312 O THR A 78 8.550 9.891 -6.657 1.00 0.00 O ATOM 1313 CB THR A 78 7.146 7.287 -5.221 1.00 0.00 C ATOM 1314 OG1 THR A 78 6.164 8.285 -5.002 1.00 0.00 O ATOM 1315 CG2 THR A 78 7.013 6.258 -4.119 1.00 0.00 C ATOM 0 H THR A 78 7.935 9.097 -3.689 1.00 0.00 H new ATOM 0 HA THR A 78 9.285 7.108 -5.279 1.00 0.00 H new ATOM 0 HB THR A 78 6.993 6.790 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.944 8.323 -4.048 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.999 5.859 -4.115 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.721 5.448 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.223 6.726 -3.157 1.00 0.00 H new ATOM 1323 N PRO A 79 8.994 7.955 -7.717 1.00 0.00 N ATOM 1324 CA PRO A 79 9.168 8.571 -9.037 1.00 0.00 C ATOM 1325 C PRO A 79 7.878 9.191 -9.562 1.00 0.00 C ATOM 1326 O PRO A 79 7.092 8.533 -10.244 1.00 0.00 O ATOM 1327 CB PRO A 79 9.601 7.403 -9.929 1.00 0.00 C ATOM 1328 CG PRO A 79 9.111 6.183 -9.228 1.00 0.00 C ATOM 1329 CD PRO A 79 9.185 6.494 -7.759 1.00 0.00 C ATOM 0 HA PRO A 79 9.888 9.389 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.169 7.486 -10.926 1.00 0.00 H new ATOM 0 HB3 PRO A 79 10.684 7.380 -10.052 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.090 5.945 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.725 5.317 -9.475 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.412 5.970 -7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 79 10.144 6.200 -7.333 1.00 0.00 H new ATOM 1337 N ARG A 80 7.667 10.465 -9.243 1.00 0.00 N ATOM 1338 CA ARG A 80 6.473 11.176 -9.684 1.00 0.00 C ATOM 1339 C ARG A 80 5.210 10.524 -9.126 1.00 0.00 C ATOM 1340 O ARG A 80 5.273 9.745 -8.174 1.00 0.00 O ATOM 1341 CB ARG A 80 6.417 11.216 -11.214 1.00 0.00 C ATOM 1342 CG ARG A 80 6.198 12.611 -11.779 1.00 0.00 C ATOM 1343 CD ARG A 80 7.514 13.342 -11.987 1.00 0.00 C ATOM 1344 NE ARG A 80 7.443 14.734 -11.552 1.00 0.00 N ATOM 1345 CZ ARG A 80 8.422 15.619 -11.731 1.00 0.00 C ATOM 1346 NH1 ARG A 80 9.547 15.260 -12.338 1.00 0.00 N ATOM 1347 NH2 ARG A 80 8.276 16.864 -11.304 1.00 0.00 N ATOM 0 H ARG A 80 8.308 11.025 -8.681 1.00 0.00 H new ATOM 0 HA ARG A 80 6.524 12.196 -9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.347 10.813 -11.614 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.614 10.564 -11.557 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.666 12.541 -12.728 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.566 13.184 -11.101 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.303 12.830 -11.437 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.786 13.306 -13.042 1.00 0.00 H new ATOM 0 HE ARG A 80 6.593 15.047 -11.083 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.664 14.303 -12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.294 15.942 -12.473 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.414 17.145 -10.838 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.026 17.541 -11.441 1.00 0.00 H new TER 1361 ARG A 80