USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 753 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -156:sc= -0.118 (180deg=-0.761) USER MOD Single : A 4 THR OG1 : rot 28:sc= 0.743 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.323 K(o=-0.32,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 147:sc= -6.25! (180deg=-8.64!) USER MOD Single : A 29 HIS : no HE2:sc= 0.527 K(o=0.53,f=-8.1!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.6! C(o=-2.6!,f=-6.3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 62 GLN : amide:sc= -0.94 X(o=-0.94,f=-0.77) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 170:sc= -0.139 (180deg=-0.167) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 89 LYS NZ :NH3+ -178:sc= 0.198 (180deg=0.197) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.876 -17.792 -10.097 1.00 0.00 N ATOM 2 CA MET A 1 -2.682 -18.313 -9.373 1.00 0.00 C ATOM 3 C MET A 1 -1.513 -17.365 -9.601 1.00 0.00 C ATOM 4 O MET A 1 -0.622 -17.639 -10.405 1.00 0.00 O ATOM 5 CB MET A 1 -2.339 -19.711 -9.902 1.00 0.00 C ATOM 6 CG MET A 1 -3.505 -20.670 -9.623 1.00 0.00 C ATOM 7 SD MET A 1 -3.672 -20.951 -7.839 1.00 0.00 S ATOM 8 CE MET A 1 -2.494 -22.319 -7.691 1.00 0.00 C ATOM 0 H1 MET A 1 -4.740 -18.160 -9.651 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.881 -16.753 -10.056 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.841 -18.099 -11.090 1.00 0.00 H new ATOM 0 HA MET A 1 -2.889 -18.379 -8.305 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.140 -19.667 -10.973 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.431 -20.079 -9.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.431 -20.254 -10.021 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.336 -21.618 -10.134 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.446 -22.647 -6.653 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.819 -23.149 -8.319 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.507 -21.986 -8.013 1.00 0.00 H new ATOM 20 N GLU A 2 -1.527 -16.243 -8.885 1.00 0.00 N ATOM 21 CA GLU A 2 -0.468 -15.246 -9.008 1.00 0.00 C ATOM 22 C GLU A 2 -0.554 -14.232 -7.858 1.00 0.00 C ATOM 23 O GLU A 2 -0.559 -13.023 -8.083 1.00 0.00 O ATOM 24 CB GLU A 2 -0.573 -14.530 -10.374 1.00 0.00 C ATOM 25 CG GLU A 2 -2.043 -14.249 -10.724 1.00 0.00 C ATOM 26 CD GLU A 2 -2.706 -13.405 -9.639 1.00 0.00 C ATOM 27 OE1 GLU A 2 -2.555 -12.196 -9.681 1.00 0.00 O ATOM 28 OE2 GLU A 2 -3.356 -13.983 -8.785 1.00 0.00 O ATOM 0 H GLU A 2 -2.258 -16.002 -8.216 1.00 0.00 H new ATOM 0 HA GLU A 2 0.498 -15.747 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.015 -13.594 -10.344 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.120 -15.147 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.101 -13.730 -11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.581 -15.190 -10.838 1.00 0.00 H new ATOM 35 N PRO A 3 -0.620 -14.701 -6.637 1.00 0.00 N ATOM 36 CA PRO A 3 -0.702 -13.805 -5.441 1.00 0.00 C ATOM 37 C PRO A 3 0.585 -13.000 -5.245 1.00 0.00 C ATOM 38 O PRO A 3 0.592 -11.993 -4.541 1.00 0.00 O ATOM 39 CB PRO A 3 -0.945 -14.786 -4.272 1.00 0.00 C ATOM 40 CG PRO A 3 -0.357 -16.082 -4.743 1.00 0.00 C ATOM 41 CD PRO A 3 -0.628 -16.127 -6.251 1.00 0.00 C ATOM 0 HA PRO A 3 -1.486 -13.053 -5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.463 -14.441 -3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.008 -14.888 -4.054 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.712 -16.127 -4.534 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.817 -16.930 -4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.138 -16.692 -6.781 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -1.584 -16.600 -6.475 1.00 0.00 H new ATOM 49 N THR A 4 1.675 -13.459 -5.857 1.00 0.00 N ATOM 50 CA THR A 4 2.963 -12.776 -5.728 1.00 0.00 C ATOM 51 C THR A 4 3.274 -12.485 -4.260 1.00 0.00 C ATOM 52 O THR A 4 2.844 -11.468 -3.714 1.00 0.00 O ATOM 53 CB THR A 4 2.949 -11.464 -6.516 1.00 0.00 C ATOM 54 OG1 THR A 4 1.939 -10.610 -5.998 1.00 0.00 O ATOM 55 CG2 THR A 4 2.668 -11.750 -7.992 1.00 0.00 C ATOM 0 H THR A 4 1.694 -14.294 -6.443 1.00 0.00 H new ATOM 0 HA THR A 4 3.736 -13.431 -6.131 1.00 0.00 H new ATOM 0 HB THR A 4 3.920 -10.978 -6.422 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.793 -10.813 -5.050 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.659 -10.813 -8.549 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.445 -12.402 -8.391 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.699 -12.239 -8.090 1.00 0.00 H new ATOM 63 N ALA A 5 4.017 -13.388 -3.626 1.00 0.00 N ATOM 64 CA ALA A 5 4.376 -13.228 -2.219 1.00 0.00 C ATOM 65 C ALA A 5 5.438 -12.146 -2.057 1.00 0.00 C ATOM 66 O ALA A 5 5.730 -11.714 -0.942 1.00 0.00 O ATOM 67 CB ALA A 5 4.907 -14.553 -1.670 1.00 0.00 C ATOM 0 H ALA A 5 4.381 -14.235 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 5 3.486 -12.931 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.174 -14.431 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.137 -15.319 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.788 -14.854 -2.236 1.00 0.00 H new ATOM 73 N PHE A 6 6.011 -11.712 -3.177 1.00 0.00 N ATOM 74 CA PHE A 6 7.040 -10.678 -3.149 1.00 0.00 C ATOM 75 C PHE A 6 8.155 -11.048 -2.172 1.00 0.00 C ATOM 76 O PHE A 6 8.071 -12.057 -1.473 1.00 0.00 O ATOM 77 CB PHE A 6 6.420 -9.338 -2.739 1.00 0.00 C ATOM 78 CG PHE A 6 5.444 -8.876 -3.808 1.00 0.00 C ATOM 79 CD1 PHE A 6 4.064 -8.822 -3.544 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.924 -8.500 -5.070 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.179 -8.393 -4.538 1.00 0.00 C ATOM 82 CE2 PHE A 6 5.033 -8.072 -6.060 1.00 0.00 C ATOM 83 CZ PHE A 6 3.662 -8.019 -5.796 1.00 0.00 C ATOM 0 H PHE A 6 5.782 -12.058 -4.109 1.00 0.00 H new ATOM 0 HA PHE A 6 7.468 -10.592 -4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.905 -9.442 -1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.202 -8.592 -2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.688 -9.112 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.983 -8.541 -5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.119 -8.350 -4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.406 -7.782 -7.031 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.976 -7.690 -6.562 1.00 0.00 H new ATOM 93 N SER A 7 9.208 -10.224 -2.138 1.00 0.00 N ATOM 94 CA SER A 7 10.361 -10.458 -1.255 1.00 0.00 C ATOM 95 C SER A 7 10.754 -9.173 -0.532 1.00 0.00 C ATOM 96 O SER A 7 10.050 -8.170 -0.602 1.00 0.00 O ATOM 97 CB SER A 7 11.547 -10.955 -2.080 1.00 0.00 C ATOM 98 OG SER A 7 11.210 -12.195 -2.688 1.00 0.00 O ATOM 0 H SER A 7 9.287 -9.385 -2.713 1.00 0.00 H new ATOM 0 HA SER A 7 10.083 -11.209 -0.515 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.807 -10.221 -2.843 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.423 -11.076 -1.443 1.00 0.00 H new ATOM 0 HG SER A 7 11.968 -12.516 -3.219 1.00 0.00 H new ATOM 104 N GLY A 8 11.882 -9.213 0.166 1.00 0.00 N ATOM 105 CA GLY A 8 12.358 -8.044 0.897 1.00 0.00 C ATOM 106 C GLY A 8 12.744 -6.917 -0.058 1.00 0.00 C ATOM 107 O GLY A 8 12.506 -5.743 0.225 1.00 0.00 O ATOM 0 H GLY A 8 12.481 -10.035 0.242 1.00 0.00 H new ATOM 0 HA2 GLY A 8 11.582 -7.697 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.219 -8.318 1.507 1.00 0.00 H new ATOM 111 N SER A 9 13.350 -7.282 -1.187 1.00 0.00 N ATOM 112 CA SER A 9 13.779 -6.294 -2.178 1.00 0.00 C ATOM 113 C SER A 9 12.581 -5.690 -2.906 1.00 0.00 C ATOM 114 O SER A 9 12.707 -4.667 -3.579 1.00 0.00 O ATOM 115 CB SER A 9 14.717 -6.944 -3.194 1.00 0.00 C ATOM 116 OG SER A 9 14.012 -7.949 -3.911 1.00 0.00 O ATOM 0 H SER A 9 13.555 -8.249 -1.438 1.00 0.00 H new ATOM 0 HA SER A 9 14.304 -5.497 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.102 -6.192 -3.883 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.577 -7.380 -2.685 1.00 0.00 H new ATOM 0 HG SER A 9 14.611 -8.366 -4.565 1.00 0.00 H new ATOM 122 N ASP A 10 11.419 -6.320 -2.764 1.00 0.00 N ATOM 123 CA ASP A 10 10.214 -5.819 -3.415 1.00 0.00 C ATOM 124 C ASP A 10 9.825 -4.476 -2.816 1.00 0.00 C ATOM 125 O ASP A 10 9.864 -4.301 -1.597 1.00 0.00 O ATOM 126 CB ASP A 10 9.065 -6.807 -3.223 1.00 0.00 C ATOM 127 CG ASP A 10 7.833 -6.331 -3.984 1.00 0.00 C ATOM 128 OD1 ASP A 10 7.956 -6.078 -5.169 1.00 0.00 O ATOM 129 OD2 ASP A 10 6.786 -6.225 -3.368 1.00 0.00 O ATOM 0 H ASP A 10 11.287 -7.167 -2.212 1.00 0.00 H new ATOM 0 HA ASP A 10 10.414 -5.701 -4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.361 -7.795 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.832 -6.904 -2.163 1.00 0.00 H new ATOM 134 N VAL A 11 9.450 -3.526 -3.681 1.00 0.00 N ATOM 135 CA VAL A 11 9.054 -2.180 -3.238 1.00 0.00 C ATOM 136 C VAL A 11 7.706 -1.785 -3.882 1.00 0.00 C ATOM 137 O VAL A 11 7.629 -1.628 -5.099 1.00 0.00 O ATOM 138 CB VAL A 11 10.161 -1.165 -3.633 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.714 -1.500 -5.028 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.610 0.284 -3.619 1.00 0.00 C ATOM 0 H VAL A 11 9.412 -3.662 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 11 8.932 -2.174 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 11 10.966 -1.237 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.489 -0.782 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.137 -2.504 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.908 -1.452 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.403 0.978 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.788 0.367 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.251 0.527 -2.619 1.00 0.00 H new ATOM 150 N PRO A 12 6.639 -1.612 -3.121 1.00 0.00 N ATOM 151 CA PRO A 12 5.328 -1.227 -3.714 1.00 0.00 C ATOM 152 C PRO A 12 5.272 0.265 -4.025 1.00 0.00 C ATOM 153 O PRO A 12 5.809 1.089 -3.283 1.00 0.00 O ATOM 154 CB PRO A 12 4.316 -1.622 -2.627 1.00 0.00 C ATOM 155 CG PRO A 12 5.064 -1.426 -1.341 1.00 0.00 C ATOM 156 CD PRO A 12 6.539 -1.754 -1.648 1.00 0.00 C ATOM 0 HA PRO A 12 5.132 -1.717 -4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.423 -0.998 -2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.988 -2.655 -2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.959 -0.402 -0.982 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.674 -2.079 -0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.215 -1.071 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.799 -2.762 -1.326 1.00 0.00 H new ATOM 164 N ARG A 13 4.604 0.601 -5.122 1.00 0.00 N ATOM 165 CA ARG A 13 4.454 1.993 -5.539 1.00 0.00 C ATOM 166 C ARG A 13 3.178 2.150 -6.358 1.00 0.00 C ATOM 167 O ARG A 13 2.836 1.292 -7.173 1.00 0.00 O ATOM 168 CB ARG A 13 5.669 2.437 -6.358 1.00 0.00 C ATOM 169 CG ARG A 13 5.541 3.925 -6.709 1.00 0.00 C ATOM 170 CD ARG A 13 6.796 4.387 -7.449 1.00 0.00 C ATOM 171 NE ARG A 13 6.752 5.830 -7.661 1.00 0.00 N ATOM 172 CZ ARG A 13 7.620 6.439 -8.466 1.00 0.00 C ATOM 173 NH1 ARG A 13 7.556 7.732 -8.637 1.00 0.00 N ATOM 174 NH2 ARG A 13 8.537 5.744 -9.083 1.00 0.00 N ATOM 0 H ARG A 13 4.155 -0.073 -5.742 1.00 0.00 H new ATOM 0 HA ARG A 13 4.387 2.624 -4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.584 2.265 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.742 1.844 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.660 4.088 -7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.405 4.513 -5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.684 4.123 -6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.872 3.873 -8.407 1.00 0.00 H new ATOM 0 HE ARG A 13 6.041 6.384 -7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.841 8.276 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.221 8.198 -9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.588 4.734 -8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.202 6.211 -9.700 1.00 0.00 H new ATOM 188 N LEU A 14 2.471 3.245 -6.115 1.00 0.00 N ATOM 189 CA LEU A 14 1.219 3.518 -6.813 1.00 0.00 C ATOM 190 C LEU A 14 1.465 3.841 -8.304 1.00 0.00 C ATOM 191 O LEU A 14 2.219 4.768 -8.603 1.00 0.00 O ATOM 192 CB LEU A 14 0.522 4.715 -6.151 1.00 0.00 C ATOM 193 CG LEU A 14 0.412 4.493 -4.632 1.00 0.00 C ATOM 194 CD1 LEU A 14 -0.227 5.730 -3.991 1.00 0.00 C ATOM 195 CD2 LEU A 14 -0.440 3.237 -4.324 1.00 0.00 C ATOM 0 H LEU A 14 2.742 3.960 -5.440 1.00 0.00 H new ATOM 0 HA LEU A 14 0.593 2.628 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.082 5.628 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.471 4.849 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 14 1.409 4.337 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.309 5.581 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.393 6.604 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.220 5.886 -4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.506 3.098 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.441 3.367 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.026 2.361 -4.775 1.00 0.00 H new ATOM 207 N PRO A 15 0.858 3.131 -9.251 1.00 0.00 N ATOM 208 CA PRO A 15 1.058 3.421 -10.706 1.00 0.00 C ATOM 209 C PRO A 15 0.331 4.695 -11.139 1.00 0.00 C ATOM 210 O PRO A 15 -0.604 5.144 -10.480 1.00 0.00 O ATOM 211 CB PRO A 15 0.493 2.172 -11.419 1.00 0.00 C ATOM 212 CG PRO A 15 -0.552 1.647 -10.482 1.00 0.00 C ATOM 213 CD PRO A 15 -0.073 1.993 -9.060 1.00 0.00 C ATOM 0 HA PRO A 15 2.105 3.603 -10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.065 2.428 -12.388 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.272 1.432 -11.600 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.521 2.102 -10.687 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.674 0.570 -10.600 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.908 2.267 -8.415 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.427 1.145 -8.592 1.00 0.00 H new ATOM 221 N ARG A 16 0.769 5.265 -12.256 1.00 0.00 N ATOM 222 CA ARG A 16 0.155 6.480 -12.776 1.00 0.00 C ATOM 223 C ARG A 16 -1.347 6.280 -12.956 1.00 0.00 C ATOM 224 O ARG A 16 -1.809 5.167 -13.207 1.00 0.00 O ATOM 225 CB ARG A 16 0.797 6.849 -14.117 1.00 0.00 C ATOM 226 CG ARG A 16 0.220 8.175 -14.624 1.00 0.00 C ATOM 227 CD ARG A 16 0.932 8.582 -15.912 1.00 0.00 C ATOM 228 NE ARG A 16 0.375 9.833 -16.414 1.00 0.00 N ATOM 229 CZ ARG A 16 0.915 10.461 -17.452 1.00 0.00 C ATOM 230 NH1 ARG A 16 0.397 11.580 -17.876 1.00 0.00 N ATOM 231 NH2 ARG A 16 1.964 9.961 -18.045 1.00 0.00 N ATOM 0 H ARG A 16 1.543 4.907 -12.816 1.00 0.00 H new ATOM 0 HA ARG A 16 0.316 7.290 -12.064 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.878 6.933 -14.002 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.614 6.060 -14.847 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.850 8.073 -14.804 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.343 8.950 -13.868 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.000 8.698 -15.726 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.822 7.798 -16.662 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.445 10.233 -15.959 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.422 11.972 -17.410 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.811 12.064 -18.673 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.370 9.087 -17.711 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.378 10.444 -18.842 1.00 0.00 H new ATOM 245 N GLY A 17 -2.106 7.368 -12.826 1.00 0.00 N ATOM 246 CA GLY A 17 -3.560 7.308 -12.975 1.00 0.00 C ATOM 247 C GLY A 17 -4.217 6.828 -11.688 1.00 0.00 C ATOM 248 O GLY A 17 -5.366 6.388 -11.695 1.00 0.00 O ATOM 0 H GLY A 17 -1.740 8.297 -12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.944 8.294 -13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.819 6.636 -13.793 1.00 0.00 H new ATOM 252 N VAL A 18 -3.478 6.919 -10.579 1.00 0.00 N ATOM 253 CA VAL A 18 -3.987 6.496 -9.268 1.00 0.00 C ATOM 254 C VAL A 18 -3.671 7.549 -8.218 1.00 0.00 C ATOM 255 O VAL A 18 -2.550 8.051 -8.143 1.00 0.00 O ATOM 256 CB VAL A 18 -3.351 5.161 -8.864 1.00 0.00 C ATOM 257 CG1 VAL A 18 -3.920 4.705 -7.516 1.00 0.00 C ATOM 258 CG2 VAL A 18 -3.653 4.106 -9.935 1.00 0.00 C ATOM 0 H VAL A 18 -2.525 7.282 -10.561 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.068 6.374 -9.337 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.272 5.287 -8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.466 3.756 -7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.700 5.455 -6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.000 4.580 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.201 3.157 -9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.732 3.981 -10.028 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.241 4.430 -10.891 1.00 0.00 H new ATOM 268 N ARG A 19 -4.673 7.882 -7.404 1.00 0.00 N ATOM 269 CA ARG A 19 -4.516 8.882 -6.344 1.00 0.00 C ATOM 270 C ARG A 19 -5.180 8.401 -5.065 1.00 0.00 C ATOM 271 O ARG A 19 -6.092 7.577 -5.099 1.00 0.00 O ATOM 272 CB ARG A 19 -5.146 10.199 -6.781 1.00 0.00 C ATOM 273 CG ARG A 19 -4.402 10.722 -8.008 1.00 0.00 C ATOM 274 CD ARG A 19 -5.006 12.053 -8.443 1.00 0.00 C ATOM 275 NE ARG A 19 -6.389 11.860 -8.879 1.00 0.00 N ATOM 276 CZ ARG A 19 -6.678 11.415 -10.101 1.00 0.00 C ATOM 277 NH1 ARG A 19 -7.922 11.256 -10.460 1.00 0.00 N ATOM 278 NH2 ARG A 19 -5.716 11.139 -10.938 1.00 0.00 N ATOM 0 H ARG A 19 -5.606 7.473 -7.458 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.453 9.032 -6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.201 10.053 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.096 10.927 -5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.344 10.849 -7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.467 9.999 -8.821 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.973 12.763 -7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.417 12.480 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.149 12.071 -8.233 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.673 11.472 -9.805 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.143 10.915 -11.396 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.744 11.264 -10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.936 10.798 -11.874 1.00 0.00 H new ATOM 292 N LEU A 20 -4.718 8.925 -3.933 1.00 0.00 N ATOM 293 CA LEU A 20 -5.273 8.549 -2.632 1.00 0.00 C ATOM 294 C LEU A 20 -6.376 9.519 -2.245 1.00 0.00 C ATOM 295 O LEU A 20 -6.250 10.727 -2.441 1.00 0.00 O ATOM 296 CB LEU A 20 -4.173 8.576 -1.564 1.00 0.00 C ATOM 297 CG LEU A 20 -2.962 7.752 -2.026 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.918 7.736 -0.913 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.388 6.311 -2.373 1.00 0.00 C ATOM 0 H LEU A 20 -3.963 9.609 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.682 7.541 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.869 9.605 -1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.557 8.176 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.539 8.206 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.054 7.153 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.605 8.757 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.348 7.287 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.517 5.742 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.822 5.838 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.127 6.333 -3.174 1.00 0.00 H new ATOM 311 N ARG A 21 -7.466 8.979 -1.702 1.00 0.00 N ATOM 312 CA ARG A 21 -8.611 9.792 -1.289 1.00 0.00 C ATOM 313 C ARG A 21 -9.102 9.347 0.079 1.00 0.00 C ATOM 314 O ARG A 21 -9.108 8.157 0.388 1.00 0.00 O ATOM 315 CB ARG A 21 -9.749 9.638 -2.297 1.00 0.00 C ATOM 316 CG ARG A 21 -9.308 10.165 -3.664 1.00 0.00 C ATOM 317 CD ARG A 21 -10.413 9.915 -4.692 1.00 0.00 C ATOM 318 NE ARG A 21 -11.608 10.703 -4.358 1.00 0.00 N ATOM 319 CZ ARG A 21 -12.628 10.196 -3.655 1.00 0.00 C ATOM 320 NH1 ARG A 21 -13.679 10.933 -3.411 1.00 0.00 N ATOM 321 NH2 ARG A 21 -12.570 8.976 -3.192 1.00 0.00 N ATOM 0 H ARG A 21 -7.581 7.979 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.297 10.835 -1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.036 8.590 -2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.628 10.184 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.091 11.231 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.388 9.670 -3.976 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.060 10.182 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.663 8.854 -4.716 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.662 11.671 -4.673 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.721 11.892 -3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.458 10.549 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -11.744 8.403 -3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.351 8.596 -2.657 1.00 0.00 H new ATOM 335 N PHE A 22 -9.517 10.315 0.896 1.00 0.00 N ATOM 336 CA PHE A 22 -10.021 10.027 2.242 1.00 0.00 C ATOM 337 C PHE A 22 -11.547 10.079 2.256 1.00 0.00 C ATOM 338 O PHE A 22 -12.147 11.133 2.043 1.00 0.00 O ATOM 339 CB PHE A 22 -9.447 11.053 3.233 1.00 0.00 C ATOM 340 CG PHE A 22 -10.128 10.913 4.590 1.00 0.00 C ATOM 341 CD1 PHE A 22 -9.984 9.725 5.318 1.00 0.00 C ATOM 342 CD2 PHE A 22 -10.904 11.962 5.114 1.00 0.00 C ATOM 343 CE1 PHE A 22 -10.611 9.585 6.563 1.00 0.00 C ATOM 344 CE2 PHE A 22 -11.528 11.819 6.358 1.00 0.00 C ATOM 345 CZ PHE A 22 -11.381 10.630 7.082 1.00 0.00 C ATOM 0 H PHE A 22 -9.515 11.305 0.651 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.706 9.026 2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.373 10.904 3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.592 12.062 2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -9.389 8.916 4.919 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.018 12.879 4.555 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -10.499 8.668 7.123 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -12.123 12.626 6.760 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.863 10.520 8.042 1.00 0.00 H new ATOM 355 N ASP A 23 -12.165 8.931 2.529 1.00 0.00 N ATOM 356 CA ASP A 23 -13.622 8.835 2.598 1.00 0.00 C ATOM 357 C ASP A 23 -14.080 9.070 4.034 1.00 0.00 C ATOM 358 O ASP A 23 -14.106 8.146 4.847 1.00 0.00 O ATOM 359 CB ASP A 23 -14.075 7.446 2.124 1.00 0.00 C ATOM 360 CG ASP A 23 -13.865 7.302 0.618 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.519 8.289 -0.015 1.00 0.00 O ATOM 362 OD2 ASP A 23 -14.063 6.208 0.117 1.00 0.00 O ATOM 0 H ASP A 23 -11.678 8.053 2.706 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.066 9.592 1.951 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.514 6.674 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.127 7.297 2.367 1.00 0.00 H new ATOM 367 N GLU A 24 -14.430 10.313 4.342 1.00 0.00 N ATOM 368 CA GLU A 24 -14.877 10.656 5.685 1.00 0.00 C ATOM 369 C GLU A 24 -16.125 9.860 6.043 1.00 0.00 C ATOM 370 O GLU A 24 -16.316 9.471 7.194 1.00 0.00 O ATOM 371 CB GLU A 24 -15.173 12.157 5.766 1.00 0.00 C ATOM 372 CG GLU A 24 -15.503 12.547 7.212 1.00 0.00 C ATOM 373 CD GLU A 24 -15.713 14.057 7.311 1.00 0.00 C ATOM 374 OE1 GLU A 24 -15.330 14.753 6.384 1.00 0.00 O ATOM 375 OE2 GLU A 24 -16.256 14.493 8.312 1.00 0.00 O ATOM 0 H GLU A 24 -14.413 11.094 3.686 1.00 0.00 H new ATOM 0 HA GLU A 24 -14.087 10.408 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.312 12.726 5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -16.009 12.407 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.401 12.024 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.693 12.240 7.874 1.00 0.00 H new ATOM 382 N VAL A 25 -16.971 9.623 5.050 1.00 0.00 N ATOM 383 CA VAL A 25 -18.200 8.871 5.270 1.00 0.00 C ATOM 384 C VAL A 25 -17.875 7.438 5.711 1.00 0.00 C ATOM 385 O VAL A 25 -18.508 6.907 6.624 1.00 0.00 O ATOM 386 CB VAL A 25 -19.048 8.860 3.965 1.00 0.00 C ATOM 387 CG1 VAL A 25 -19.912 10.133 3.882 1.00 0.00 C ATOM 388 CG2 VAL A 25 -18.112 8.801 2.732 1.00 0.00 C ATOM 0 H VAL A 25 -16.831 9.938 4.090 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.775 9.351 6.062 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.696 7.984 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -20.501 10.114 2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -20.581 10.176 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.267 11.011 3.881 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -18.710 8.793 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.458 9.673 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.508 7.895 2.777 1.00 0.00 H new ATOM 398 N ARG A 26 -16.890 6.815 5.062 1.00 0.00 N ATOM 399 CA ARG A 26 -16.505 5.442 5.407 1.00 0.00 C ATOM 400 C ARG A 26 -15.526 5.440 6.580 1.00 0.00 C ATOM 401 O ARG A 26 -15.275 4.400 7.189 1.00 0.00 O ATOM 402 CB ARG A 26 -15.850 4.762 4.206 1.00 0.00 C ATOM 403 CG ARG A 26 -16.809 4.782 3.015 1.00 0.00 C ATOM 404 CD ARG A 26 -16.132 4.153 1.795 1.00 0.00 C ATOM 405 NE ARG A 26 -15.971 2.720 1.997 1.00 0.00 N ATOM 406 CZ ARG A 26 -15.421 1.954 1.063 1.00 0.00 C ATOM 407 NH1 ARG A 26 -15.289 0.674 1.268 1.00 0.00 N ATOM 408 NH2 ARG A 26 -15.016 2.479 -0.061 1.00 0.00 N ATOM 0 H ARG A 26 -16.349 7.231 4.304 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.405 4.896 5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.923 5.274 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.588 3.734 4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.719 4.235 3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.104 5.807 2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.729 4.338 0.902 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.159 4.617 1.629 1.00 0.00 H new ATOM 0 HE ARG A 26 -16.286 2.298 2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.608 0.262 2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.867 0.084 0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.122 3.480 -0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.594 1.888 -0.777 1.00 0.00 H new ATOM 422 N ASN A 27 -14.986 6.616 6.889 1.00 0.00 N ATOM 423 CA ASN A 27 -14.038 6.775 7.991 1.00 0.00 C ATOM 424 C ASN A 27 -12.727 6.033 7.711 1.00 0.00 C ATOM 425 O ASN A 27 -11.956 5.753 8.629 1.00 0.00 O ATOM 426 CB ASN A 27 -14.663 6.262 9.304 1.00 0.00 C ATOM 427 CG ASN A 27 -13.914 6.825 10.511 1.00 0.00 C ATOM 428 OD1 ASN A 27 -13.515 7.989 10.507 1.00 0.00 O ATOM 429 ND2 ASN A 27 -13.695 6.062 11.547 1.00 0.00 N ATOM 0 H ASN A 27 -15.190 7.480 6.388 1.00 0.00 H new ATOM 0 HA ASN A 27 -13.811 7.837 8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -15.712 6.553 9.352 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.633 5.173 9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.193 6.430 12.355 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -14.026 5.097 11.549 1.00 0.00 H new ATOM 436 N LYS A 28 -12.470 5.731 6.436 1.00 0.00 N ATOM 437 CA LYS A 28 -11.238 5.037 6.040 1.00 0.00 C ATOM 438 C LYS A 28 -10.762 5.539 4.681 1.00 0.00 C ATOM 439 O LYS A 28 -11.529 6.140 3.930 1.00 0.00 O ATOM 440 CB LYS A 28 -11.465 3.515 5.988 1.00 0.00 C ATOM 441 CG LYS A 28 -12.437 3.147 4.864 1.00 0.00 C ATOM 442 CD LYS A 28 -12.740 1.646 4.926 1.00 0.00 C ATOM 443 CE LYS A 28 -13.605 1.242 3.729 1.00 0.00 C ATOM 444 NZ LYS A 28 -12.928 1.643 2.461 1.00 0.00 N ATOM 0 H LYS A 28 -13.095 5.954 5.661 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.471 5.249 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.514 3.006 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.859 3.169 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.359 3.720 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.005 3.403 3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.810 1.077 4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.256 1.408 5.856 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.774 0.165 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.583 1.719 3.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.151 0.953 1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.261 2.585 2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.899 1.670 2.610 1.00 0.00 H new ATOM 458 N HIS A 29 -9.497 5.274 4.364 1.00 0.00 N ATOM 459 CA HIS A 29 -8.927 5.682 3.079 1.00 0.00 C ATOM 460 C HIS A 29 -9.123 4.571 2.057 1.00 0.00 C ATOM 461 O HIS A 29 -9.224 3.398 2.412 1.00 0.00 O ATOM 462 CB HIS A 29 -7.431 5.964 3.233 1.00 0.00 C ATOM 463 CG HIS A 29 -7.225 7.149 4.132 1.00 0.00 C ATOM 464 ND1 HIS A 29 -7.265 7.044 5.511 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.971 8.471 3.862 1.00 0.00 C ATOM 466 CE1 HIS A 29 -7.040 8.268 6.018 1.00 0.00 C ATOM 467 NE2 HIS A 29 -6.855 9.176 5.055 1.00 0.00 N ATOM 0 H HIS A 29 -8.847 4.780 4.976 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.432 6.587 2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.928 5.090 3.647 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.986 6.155 2.257 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -7.435 6.192 6.046 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.876 8.898 2.875 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.012 8.491 7.074 1.00 0.00 H new ATOM 475 N VAL A 30 -9.184 4.947 0.782 1.00 0.00 N ATOM 476 CA VAL A 30 -9.376 3.982 -0.305 1.00 0.00 C ATOM 477 C VAL A 30 -8.511 4.355 -1.497 1.00 0.00 C ATOM 478 O VAL A 30 -8.136 5.517 -1.661 1.00 0.00 O ATOM 479 CB VAL A 30 -10.845 3.971 -0.725 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.705 3.475 0.438 1.00 0.00 C ATOM 481 CG2 VAL A 30 -11.284 5.388 -1.109 1.00 0.00 C ATOM 0 H VAL A 30 -9.103 5.916 0.472 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.087 2.991 0.046 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.968 3.308 -1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.753 3.467 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.399 2.466 0.712 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.577 4.138 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.332 5.376 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.158 6.052 -0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.674 5.745 -1.939 1.00 0.00 H new ATOM 491 N LEU A 31 -8.207 3.366 -2.339 1.00 0.00 N ATOM 492 CA LEU A 31 -7.388 3.598 -3.534 1.00 0.00 C ATOM 493 C LEU A 31 -8.286 3.699 -4.760 1.00 0.00 C ATOM 494 O LEU A 31 -8.979 2.744 -5.111 1.00 0.00 O ATOM 495 CB LEU A 31 -6.399 2.434 -3.726 1.00 0.00 C ATOM 496 CG LEU A 31 -5.397 2.746 -4.856 1.00 0.00 C ATOM 497 CD1 LEU A 31 -4.508 3.959 -4.485 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.519 1.508 -5.097 1.00 0.00 C ATOM 0 H LEU A 31 -8.513 2.400 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.834 4.528 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.860 2.252 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.946 1.521 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.948 2.996 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.809 4.160 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.137 4.834 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.952 3.737 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.806 1.717 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.979 1.262 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.148 0.666 -5.385 1.00 0.00 H new ATOM 510 N LEU A 32 -8.265 4.853 -5.416 1.00 0.00 N ATOM 511 CA LEU A 32 -9.077 5.047 -6.613 1.00 0.00 C ATOM 512 C LEU A 32 -8.399 4.369 -7.793 1.00 0.00 C ATOM 513 O LEU A 32 -7.494 4.932 -8.407 1.00 0.00 O ATOM 514 CB LEU A 32 -9.240 6.549 -6.893 1.00 0.00 C ATOM 515 CG LEU A 32 -10.177 6.794 -8.099 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.612 6.293 -7.805 1.00 0.00 C ATOM 517 CD2 LEU A 32 -10.199 8.300 -8.402 1.00 0.00 C ATOM 0 H LEU A 32 -7.703 5.660 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.063 4.608 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.642 7.045 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.264 6.993 -7.091 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.803 6.239 -8.959 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.247 6.479 -8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.588 5.224 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.013 6.823 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.856 8.491 -9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.566 8.841 -7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.191 8.638 -8.640 1.00 0.00 H new ATOM 529 N ALA A 33 -8.837 3.147 -8.106 1.00 0.00 N ATOM 530 CA ALA A 33 -8.253 2.390 -9.217 1.00 0.00 C ATOM 531 C ALA A 33 -9.101 2.577 -10.488 1.00 0.00 C ATOM 532 O ALA A 33 -10.326 2.670 -10.395 1.00 0.00 O ATOM 533 CB ALA A 33 -8.200 0.903 -8.854 1.00 0.00 C ATOM 0 H ALA A 33 -9.587 2.664 -7.611 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.244 2.757 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.766 0.342 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.588 0.768 -7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.209 0.540 -8.660 1.00 0.00 H new ATOM 539 N PRO A 34 -8.511 2.621 -11.670 1.00 0.00 N ATOM 540 CA PRO A 34 -9.302 2.786 -12.925 1.00 0.00 C ATOM 541 C PRO A 34 -10.524 1.863 -12.974 1.00 0.00 C ATOM 542 O PRO A 34 -11.573 2.239 -13.496 1.00 0.00 O ATOM 543 CB PRO A 34 -8.296 2.412 -14.036 1.00 0.00 C ATOM 544 CG PRO A 34 -6.949 2.751 -13.473 1.00 0.00 C ATOM 545 CD PRO A 34 -7.056 2.542 -11.950 1.00 0.00 C ATOM 0 HA PRO A 34 -9.707 3.794 -13.020 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.363 1.354 -14.288 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.493 2.971 -14.951 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.176 2.112 -13.900 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.677 3.780 -13.707 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.645 1.578 -11.651 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.504 3.307 -11.404 1.00 0.00 H new ATOM 553 N GLU A 35 -10.373 0.645 -12.458 1.00 0.00 N ATOM 554 CA GLU A 35 -11.467 -0.325 -12.485 1.00 0.00 C ATOM 555 C GLU A 35 -12.562 0.049 -11.487 1.00 0.00 C ATOM 556 O GLU A 35 -13.735 0.126 -11.854 1.00 0.00 O ATOM 557 CB GLU A 35 -10.911 -1.716 -12.147 1.00 0.00 C ATOM 558 CG GLU A 35 -11.964 -2.801 -12.429 1.00 0.00 C ATOM 559 CD GLU A 35 -12.166 -2.969 -13.935 1.00 0.00 C ATOM 560 OE1 GLU A 35 -11.407 -2.379 -14.689 1.00 0.00 O ATOM 561 OE2 GLU A 35 -13.077 -3.688 -14.313 1.00 0.00 O ATOM 0 H GLU A 35 -9.515 0.308 -12.021 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.907 -0.328 -13.482 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.015 -1.909 -12.737 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.616 -1.751 -11.098 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.647 -3.747 -11.990 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.909 -2.531 -11.957 1.00 0.00 H new ATOM 568 N ARG A 36 -12.173 0.280 -10.235 1.00 0.00 N ATOM 569 CA ARG A 36 -13.132 0.640 -9.191 1.00 0.00 C ATOM 570 C ARG A 36 -12.413 0.929 -7.879 1.00 0.00 C ATOM 571 O ARG A 36 -11.276 0.510 -7.678 1.00 0.00 O ATOM 572 CB ARG A 36 -14.129 -0.505 -8.966 1.00 0.00 C ATOM 573 CG ARG A 36 -13.365 -1.782 -8.590 1.00 0.00 C ATOM 574 CD ARG A 36 -14.333 -2.963 -8.543 1.00 0.00 C ATOM 575 NE ARG A 36 -15.317 -2.760 -7.485 1.00 0.00 N ATOM 576 CZ ARG A 36 -14.987 -2.874 -6.202 1.00 0.00 C ATOM 577 NH1 ARG A 36 -15.888 -2.682 -5.278 1.00 0.00 N ATOM 578 NH2 ARG A 36 -13.762 -3.175 -5.866 1.00 0.00 N ATOM 0 H ARG A 36 -11.205 0.225 -9.919 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.664 1.533 -9.518 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.830 -0.241 -8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.717 -0.672 -9.869 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.577 -1.974 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.881 -1.657 -7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.837 -3.069 -9.504 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.783 -3.888 -8.367 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.278 -2.526 -7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.845 -2.445 -5.540 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.636 -2.769 -4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.057 -3.323 -6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.510 -3.262 -4.881 1.00 0.00 H new ATOM 592 N THR A 37 -13.094 1.626 -6.977 1.00 0.00 N ATOM 593 CA THR A 37 -12.518 1.945 -5.674 1.00 0.00 C ATOM 594 C THR A 37 -12.512 0.708 -4.778 1.00 0.00 C ATOM 595 O THR A 37 -13.538 0.048 -4.613 1.00 0.00 O ATOM 596 CB THR A 37 -13.334 3.056 -5.012 1.00 0.00 C ATOM 597 OG1 THR A 37 -13.389 4.180 -5.879 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.686 3.461 -3.689 1.00 0.00 C ATOM 0 H THR A 37 -14.040 1.980 -7.121 1.00 0.00 H new ATOM 0 HA THR A 37 -11.491 2.281 -5.815 1.00 0.00 H new ATOM 0 HB THR A 37 -14.343 2.694 -4.817 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.913 4.893 -5.458 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.273 4.253 -3.224 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.648 2.599 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.674 3.821 -3.875 1.00 0.00 H new ATOM 606 N PHE A 38 -11.349 0.396 -4.196 1.00 0.00 N ATOM 607 CA PHE A 38 -11.214 -0.771 -3.309 1.00 0.00 C ATOM 608 C PHE A 38 -11.243 -0.341 -1.845 1.00 0.00 C ATOM 609 O PHE A 38 -10.666 0.681 -1.474 1.00 0.00 O ATOM 610 CB PHE A 38 -9.892 -1.489 -3.591 1.00 0.00 C ATOM 611 CG PHE A 38 -9.904 -2.039 -5.008 1.00 0.00 C ATOM 612 CD1 PHE A 38 -9.044 -1.513 -5.989 1.00 0.00 C ATOM 613 CD2 PHE A 38 -10.781 -3.082 -5.342 1.00 0.00 C ATOM 614 CE1 PHE A 38 -9.067 -2.030 -7.290 1.00 0.00 C ATOM 615 CE2 PHE A 38 -10.800 -3.595 -6.644 1.00 0.00 C ATOM 616 CZ PHE A 38 -9.944 -3.069 -7.617 1.00 0.00 C ATOM 0 H PHE A 38 -10.489 0.931 -4.321 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.050 -1.443 -3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.058 -0.799 -3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.747 -2.299 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.366 -0.710 -5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.443 -3.490 -4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -8.406 -1.626 -8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.476 -4.398 -6.898 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.960 -3.465 -8.621 1.00 0.00 H new ATOM 626 N ASP A 39 -11.912 -1.141 -1.017 1.00 0.00 N ATOM 627 CA ASP A 39 -12.003 -0.853 0.412 1.00 0.00 C ATOM 628 C ASP A 39 -10.667 -1.126 1.091 1.00 0.00 C ATOM 629 O ASP A 39 -10.209 -2.266 1.132 1.00 0.00 O ATOM 630 CB ASP A 39 -13.089 -1.722 1.053 1.00 0.00 C ATOM 631 CG ASP A 39 -12.755 -3.200 0.876 1.00 0.00 C ATOM 632 OD1 ASP A 39 -11.948 -3.509 0.014 1.00 0.00 O ATOM 633 OD2 ASP A 39 -13.312 -4.002 1.606 1.00 0.00 O ATOM 0 H ASP A 39 -12.397 -1.990 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.260 0.199 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.175 -1.486 2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.055 -1.503 0.598 1.00 0.00 H new ATOM 638 N LEU A 40 -10.039 -0.069 1.616 1.00 0.00 N ATOM 639 CA LEU A 40 -8.736 -0.192 2.290 1.00 0.00 C ATOM 640 C LEU A 40 -8.771 0.519 3.635 1.00 0.00 C ATOM 641 O LEU A 40 -9.524 1.471 3.827 1.00 0.00 O ATOM 642 CB LEU A 40 -7.642 0.441 1.422 1.00 0.00 C ATOM 643 CG LEU A 40 -7.656 -0.165 0.004 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.733 0.655 -0.897 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.165 -1.622 0.024 1.00 0.00 C ATOM 0 H LEU A 40 -10.409 0.881 1.589 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.522 -1.250 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.794 1.519 1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.667 0.281 1.882 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.679 -0.145 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.737 0.233 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.084 1.686 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.719 0.631 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.184 -2.026 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.146 -1.657 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.816 -2.217 0.665 1.00 0.00 H new ATOM 657 N ASP A 41 -7.946 0.046 4.563 1.00 0.00 N ATOM 658 CA ASP A 41 -7.877 0.638 5.898 1.00 0.00 C ATOM 659 C ASP A 41 -6.864 1.776 5.915 1.00 0.00 C ATOM 660 O ASP A 41 -6.055 1.916 4.997 1.00 0.00 O ATOM 661 CB ASP A 41 -7.456 -0.426 6.912 1.00 0.00 C ATOM 662 CG ASP A 41 -8.366 -1.643 6.784 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.514 -1.461 6.409 1.00 0.00 O ATOM 664 OD2 ASP A 41 -7.903 -2.737 7.058 1.00 0.00 O ATOM 0 H ASP A 41 -7.317 -0.743 4.418 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.860 1.028 6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.419 -0.715 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.512 -0.022 7.923 1.00 0.00 H new ATOM 669 N ASP A 42 -6.912 2.578 6.967 1.00 0.00 N ATOM 670 CA ASP A 42 -5.995 3.699 7.104 1.00 0.00 C ATOM 671 C ASP A 42 -4.552 3.200 7.141 1.00 0.00 C ATOM 672 O ASP A 42 -3.668 3.773 6.505 1.00 0.00 O ATOM 673 CB ASP A 42 -6.313 4.462 8.396 1.00 0.00 C ATOM 674 CG ASP A 42 -7.631 5.223 8.259 1.00 0.00 C ATOM 675 OD1 ASP A 42 -8.093 5.377 7.141 1.00 0.00 O ATOM 676 OD2 ASP A 42 -8.160 5.639 9.276 1.00 0.00 O ATOM 0 H ASP A 42 -7.574 2.474 7.736 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.114 4.364 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.374 3.764 9.231 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.506 5.159 8.622 1.00 0.00 H new ATOM 681 N ASN A 43 -4.324 2.132 7.894 1.00 0.00 N ATOM 682 CA ASN A 43 -2.988 1.566 8.015 1.00 0.00 C ATOM 683 C ASN A 43 -2.513 1.016 6.674 1.00 0.00 C ATOM 684 O ASN A 43 -1.323 1.046 6.372 1.00 0.00 O ATOM 685 CB ASN A 43 -2.984 0.450 9.059 1.00 0.00 C ATOM 686 CG ASN A 43 -3.937 -0.663 8.641 1.00 0.00 C ATOM 687 OD1 ASN A 43 -3.761 -1.269 7.584 1.00 0.00 O ATOM 688 ND2 ASN A 43 -4.946 -0.970 9.411 1.00 0.00 N ATOM 0 H ASN A 43 -5.043 1.643 8.427 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.308 2.357 8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.976 0.052 9.173 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.281 0.848 10.029 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.589 -1.713 9.137 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.091 -0.467 10.287 1.00 0.00 H new ATOM 695 N ALA A 44 -3.445 0.508 5.877 1.00 0.00 N ATOM 696 CA ALA A 44 -3.093 -0.052 4.575 1.00 0.00 C ATOM 697 C ALA A 44 -2.662 1.046 3.605 1.00 0.00 C ATOM 698 O ALA A 44 -1.690 0.887 2.870 1.00 0.00 O ATOM 699 CB ALA A 44 -4.293 -0.800 3.992 1.00 0.00 C ATOM 0 H ALA A 44 -4.439 0.471 6.104 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.259 -0.740 4.715 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.026 -1.216 3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.581 -1.607 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.129 -0.111 3.874 1.00 0.00 H new ATOM 705 N VAL A 45 -3.392 2.162 3.606 1.00 0.00 N ATOM 706 CA VAL A 45 -3.074 3.283 2.716 1.00 0.00 C ATOM 707 C VAL A 45 -1.933 4.121 3.287 1.00 0.00 C ATOM 708 O VAL A 45 -1.127 4.676 2.542 1.00 0.00 O ATOM 709 CB VAL A 45 -4.310 4.167 2.512 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.975 5.313 1.543 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.451 3.318 1.933 1.00 0.00 C ATOM 0 H VAL A 45 -4.202 2.315 4.207 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.762 2.874 1.755 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.618 4.588 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.856 5.939 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.166 5.915 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.665 4.899 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.332 3.943 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.142 2.897 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.691 2.510 2.625 1.00 0.00 H new ATOM 721 N ALA A 46 -1.874 4.218 4.613 1.00 0.00 N ATOM 722 CA ALA A 46 -0.832 5.004 5.267 1.00 0.00 C ATOM 723 C ALA A 46 0.551 4.572 4.781 1.00 0.00 C ATOM 724 O ALA A 46 1.401 5.407 4.472 1.00 0.00 O ATOM 725 CB ALA A 46 -0.924 4.825 6.784 1.00 0.00 C ATOM 0 H ALA A 46 -2.529 3.766 5.251 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.979 6.054 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.144 5.413 7.268 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.901 5.161 7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.792 3.772 7.035 1.00 0.00 H new ATOM 731 N VAL A 47 0.759 3.265 4.710 1.00 0.00 N ATOM 732 CA VAL A 47 2.033 2.721 4.254 1.00 0.00 C ATOM 733 C VAL A 47 2.316 3.164 2.820 1.00 0.00 C ATOM 734 O VAL A 47 3.429 3.576 2.494 1.00 0.00 O ATOM 735 CB VAL A 47 1.984 1.185 4.330 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.279 0.577 3.763 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.804 0.750 5.797 1.00 0.00 C ATOM 0 H VAL A 47 0.064 2.562 4.961 1.00 0.00 H new ATOM 0 HA VAL A 47 2.833 3.093 4.894 1.00 0.00 H new ATOM 0 HB VAL A 47 1.143 0.828 3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.228 -0.510 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.396 0.877 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.132 0.933 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.769 -0.338 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.641 1.117 6.391 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.874 1.163 6.187 1.00 0.00 H new ATOM 747 N LEU A 48 1.302 3.061 1.965 1.00 0.00 N ATOM 748 CA LEU A 48 1.448 3.437 0.562 1.00 0.00 C ATOM 749 C LEU A 48 1.510 4.954 0.430 1.00 0.00 C ATOM 750 O LEU A 48 1.952 5.482 -0.590 1.00 0.00 O ATOM 751 CB LEU A 48 0.263 2.897 -0.248 1.00 0.00 C ATOM 752 CG LEU A 48 0.077 1.395 0.021 1.00 0.00 C ATOM 753 CD1 LEU A 48 -1.122 0.892 -0.792 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.346 0.604 -0.368 1.00 0.00 C ATOM 0 H LEU A 48 0.374 2.722 2.218 1.00 0.00 H new ATOM 0 HA LEU A 48 2.373 3.008 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.646 3.437 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.433 3.065 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.101 1.242 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.264 -0.173 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.018 1.435 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.937 1.057 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.189 -0.456 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.553 0.747 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.192 0.963 0.218 1.00 0.00 H new ATOM 766 N LYS A 49 1.065 5.654 1.472 1.00 0.00 N ATOM 767 CA LYS A 49 1.083 7.120 1.480 1.00 0.00 C ATOM 768 C LYS A 49 2.387 7.637 2.082 1.00 0.00 C ATOM 769 O LYS A 49 2.837 8.737 1.759 1.00 0.00 O ATOM 770 CB LYS A 49 -0.106 7.653 2.284 1.00 0.00 C ATOM 771 CG LYS A 49 -0.169 9.181 2.168 1.00 0.00 C ATOM 772 CD LYS A 49 -1.473 9.705 2.791 1.00 0.00 C ATOM 773 CE LYS A 49 -1.505 9.431 4.304 1.00 0.00 C ATOM 774 NZ LYS A 49 -2.541 10.296 4.935 1.00 0.00 N ATOM 0 H LYS A 49 0.688 5.233 2.321 1.00 0.00 H new ATOM 0 HA LYS A 49 1.009 7.472 0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.033 7.213 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.009 7.362 3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.689 9.627 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.113 9.477 1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.563 10.776 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.328 9.227 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.728 8.381 4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.528 9.633 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.568 10.115 5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.309 11.296 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.471 10.082 4.521 1.00 0.00 H new ATOM 788 N LEU A 50 2.984 6.844 2.975 1.00 0.00 N ATOM 789 CA LEU A 50 4.228 7.244 3.629 1.00 0.00 C ATOM 790 C LEU A 50 5.389 7.204 2.641 1.00 0.00 C ATOM 791 O LEU A 50 6.325 7.996 2.738 1.00 0.00 O ATOM 792 CB LEU A 50 4.519 6.290 4.800 1.00 0.00 C ATOM 793 CG LEU A 50 5.732 6.775 5.631 1.00 0.00 C ATOM 794 CD1 LEU A 50 5.425 8.118 6.338 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.080 5.702 6.675 1.00 0.00 C ATOM 0 H LEU A 50 2.629 5.931 3.258 1.00 0.00 H new ATOM 0 HA LEU A 50 4.118 8.263 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.641 6.219 5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.715 5.289 4.416 1.00 0.00 H new ATOM 0 HG LEU A 50 6.577 6.936 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.295 8.433 6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.189 8.877 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.574 7.991 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.934 6.033 7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.224 5.542 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.329 4.769 6.169 1.00 0.00 H new ATOM 807 N VAL A 51 5.322 6.278 1.688 1.00 0.00 N ATOM 808 CA VAL A 51 6.377 6.150 0.684 1.00 0.00 C ATOM 809 C VAL A 51 6.296 7.293 -0.329 1.00 0.00 C ATOM 810 O VAL A 51 5.287 7.468 -1.011 1.00 0.00 O ATOM 811 CB VAL A 51 6.279 4.783 -0.025 1.00 0.00 C ATOM 812 CG1 VAL A 51 4.887 4.591 -0.645 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.350 4.688 -1.122 1.00 0.00 C ATOM 0 H VAL A 51 4.557 5.611 1.589 1.00 0.00 H new ATOM 0 HA VAL A 51 7.343 6.209 1.185 1.00 0.00 H new ATOM 0 HB VAL A 51 6.442 3.998 0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.840 3.621 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.130 4.636 0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.702 5.380 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.277 3.721 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.196 5.484 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.339 4.792 -0.675 1.00 0.00 H new ATOM 823 N ASP A 52 7.372 8.071 -0.420 1.00 0.00 N ATOM 824 CA ASP A 52 7.424 9.190 -1.356 1.00 0.00 C ATOM 825 C ASP A 52 7.526 8.680 -2.795 1.00 0.00 C ATOM 826 O ASP A 52 6.844 9.177 -3.691 1.00 0.00 O ATOM 827 CB ASP A 52 8.631 10.076 -1.031 1.00 0.00 C ATOM 828 CG ASP A 52 8.421 10.778 0.311 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.298 10.782 0.790 1.00 0.00 O ATOM 830 OD2 ASP A 52 9.387 11.301 0.840 1.00 0.00 O ATOM 0 H ASP A 52 8.215 7.948 0.140 1.00 0.00 H new ATOM 0 HA ASP A 52 6.508 9.773 -1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.537 9.471 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.772 10.816 -1.819 1.00 0.00 H new ATOM 835 N GLY A 53 8.387 7.678 -3.006 1.00 0.00 N ATOM 836 CA GLY A 53 8.590 7.088 -4.339 1.00 0.00 C ATOM 837 C GLY A 53 8.777 5.579 -4.224 1.00 0.00 C ATOM 838 O GLY A 53 7.802 4.839 -4.118 1.00 0.00 O ATOM 0 H GLY A 53 8.956 7.257 -2.272 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.734 7.308 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.464 7.535 -4.813 1.00 0.00 H new ATOM 842 N ARG A 54 10.037 5.124 -4.240 1.00 0.00 N ATOM 843 CA ARG A 54 10.340 3.689 -4.114 1.00 0.00 C ATOM 844 C ARG A 54 11.098 3.422 -2.816 1.00 0.00 C ATOM 845 O ARG A 54 12.296 3.691 -2.720 1.00 0.00 O ATOM 846 CB ARG A 54 11.200 3.254 -5.306 1.00 0.00 C ATOM 847 CG ARG A 54 10.372 3.343 -6.589 1.00 0.00 C ATOM 848 CD ARG A 54 11.234 2.943 -7.785 1.00 0.00 C ATOM 849 NE ARG A 54 12.280 3.934 -7.996 1.00 0.00 N ATOM 850 CZ ARG A 54 13.187 3.786 -8.956 1.00 0.00 C ATOM 851 NH1 ARG A 54 14.109 4.691 -9.122 1.00 0.00 N ATOM 852 NH2 ARG A 54 13.154 2.735 -9.730 1.00 0.00 N ATOM 0 H ARG A 54 10.858 5.722 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 54 9.408 3.124 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.081 3.890 -5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.555 2.234 -5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.503 2.688 -6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.997 4.358 -6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.679 1.963 -7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.615 2.859 -8.678 1.00 0.00 H new ATOM 0 HE ARG A 54 12.317 4.758 -7.395 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.134 5.511 -8.516 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.806 4.580 -9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.432 2.027 -9.598 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.850 2.622 -10.467 1.00 0.00 H new ATOM 866 N ASN A 55 10.391 2.856 -1.830 1.00 0.00 N ATOM 867 CA ASN A 55 10.987 2.499 -0.531 1.00 0.00 C ATOM 868 C ASN A 55 10.913 0.989 -0.314 1.00 0.00 C ATOM 869 O ASN A 55 9.893 0.363 -0.597 1.00 0.00 O ATOM 870 CB ASN A 55 10.260 3.236 0.604 1.00 0.00 C ATOM 871 CG ASN A 55 10.608 4.723 0.571 1.00 0.00 C ATOM 872 OD1 ASN A 55 11.608 5.114 -0.032 1.00 0.00 O ATOM 873 ND2 ASN A 55 9.838 5.578 1.184 1.00 0.00 N ATOM 0 H ASN A 55 9.399 2.633 -1.906 1.00 0.00 H new ATOM 0 HA ASN A 55 12.034 2.800 -0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.183 3.104 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.544 2.809 1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.063 6.573 1.165 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.010 5.252 1.683 1.00 0.00 H new ATOM 880 N THR A 56 11.986 0.410 0.208 1.00 0.00 N ATOM 881 CA THR A 56 12.017 -1.024 0.479 1.00 0.00 C ATOM 882 C THR A 56 11.249 -1.318 1.761 1.00 0.00 C ATOM 883 O THR A 56 11.316 -0.550 2.718 1.00 0.00 O ATOM 884 CB THR A 56 13.465 -1.492 0.629 1.00 0.00 C ATOM 885 OG1 THR A 56 14.027 -0.919 1.802 1.00 0.00 O ATOM 886 CG2 THR A 56 14.268 -1.050 -0.593 1.00 0.00 C ATOM 0 H THR A 56 12.843 0.907 0.452 1.00 0.00 H new ATOM 0 HA THR A 56 11.553 -1.556 -0.351 1.00 0.00 H new ATOM 0 HB THR A 56 13.493 -2.579 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.955 -1.219 1.901 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.301 -1.382 -0.489 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.834 -1.489 -1.492 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.243 0.037 -0.671 1.00 0.00 H new ATOM 894 N VAL A 57 10.516 -2.428 1.780 1.00 0.00 N ATOM 895 CA VAL A 57 9.735 -2.793 2.959 1.00 0.00 C ATOM 896 C VAL A 57 10.607 -2.759 4.211 1.00 0.00 C ATOM 897 O VAL A 57 10.171 -2.314 5.273 1.00 0.00 O ATOM 898 CB VAL A 57 9.138 -4.193 2.775 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.256 -4.203 1.522 1.00 0.00 C ATOM 900 CG2 VAL A 57 10.267 -5.226 2.622 1.00 0.00 C ATOM 0 H VAL A 57 10.446 -3.084 1.002 1.00 0.00 H new ATOM 0 HA VAL A 57 8.928 -2.071 3.079 1.00 0.00 H new ATOM 0 HB VAL A 57 8.538 -4.450 3.648 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.829 -5.196 1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.453 -3.475 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.858 -3.945 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.837 -6.219 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.873 -4.976 1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.893 -5.216 3.515 1.00 0.00 H new ATOM 910 N SER A 58 11.844 -3.220 4.074 1.00 0.00 N ATOM 911 CA SER A 58 12.773 -3.222 5.195 1.00 0.00 C ATOM 912 C SER A 58 12.972 -1.806 5.728 1.00 0.00 C ATOM 913 O SER A 58 12.959 -1.583 6.935 1.00 0.00 O ATOM 914 CB SER A 58 14.118 -3.799 4.753 1.00 0.00 C ATOM 915 OG SER A 58 13.929 -5.133 4.303 1.00 0.00 O ATOM 0 H SER A 58 12.224 -3.594 3.205 1.00 0.00 H new ATOM 0 HA SER A 58 12.356 -3.840 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.544 -3.190 3.955 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.826 -3.779 5.582 1.00 0.00 H new ATOM 0 HG SER A 58 14.789 -5.507 4.017 1.00 0.00 H new ATOM 921 N GLN A 59 13.158 -0.854 4.818 1.00 0.00 N ATOM 922 CA GLN A 59 13.364 0.539 5.210 1.00 0.00 C ATOM 923 C GLN A 59 12.117 1.102 5.882 1.00 0.00 C ATOM 924 O GLN A 59 12.199 1.737 6.933 1.00 0.00 O ATOM 925 CB GLN A 59 13.707 1.382 3.978 1.00 0.00 C ATOM 926 CG GLN A 59 14.014 2.824 4.399 1.00 0.00 C ATOM 927 CD GLN A 59 14.540 3.614 3.206 1.00 0.00 C ATOM 928 OE1 GLN A 59 15.501 3.199 2.558 1.00 0.00 O ATOM 929 NE2 GLN A 59 13.959 4.733 2.871 1.00 0.00 N ATOM 0 H GLN A 59 13.171 -1.018 3.811 1.00 0.00 H new ATOM 0 HA GLN A 59 14.190 0.576 5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.567 0.954 3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.874 1.369 3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.113 3.297 4.790 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.751 2.828 5.202 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.163 5.075 3.409 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.301 5.266 2.071 1.00 0.00 H new ATOM 938 N ILE A 60 10.963 0.861 5.271 1.00 0.00 N ATOM 939 CA ILE A 60 9.705 1.350 5.821 1.00 0.00 C ATOM 940 C ILE A 60 9.474 0.747 7.198 1.00 0.00 C ATOM 941 O ILE A 60 9.044 1.436 8.122 1.00 0.00 O ATOM 942 CB ILE A 60 8.535 0.990 4.894 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.809 1.537 3.482 1.00 0.00 C ATOM 944 CG2 ILE A 60 7.241 1.611 5.445 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.761 0.996 2.502 1.00 0.00 C ATOM 0 H ILE A 60 10.872 0.335 4.402 1.00 0.00 H new ATOM 0 HA ILE A 60 9.762 2.435 5.906 1.00 0.00 H new ATOM 0 HB ILE A 60 8.428 -0.094 4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.782 2.627 3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.808 1.246 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.408 1.358 4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.048 1.222 6.445 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.349 2.695 5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.960 1.387 1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.810 -0.093 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.767 1.309 2.823 1.00 0.00 H new ATOM 957 N ALA A 61 9.747 -0.545 7.323 1.00 0.00 N ATOM 958 CA ALA A 61 9.552 -1.239 8.589 1.00 0.00 C ATOM 959 C ALA A 61 10.286 -0.521 9.721 1.00 0.00 C ATOM 960 O ALA A 61 9.756 -0.382 10.823 1.00 0.00 O ATOM 961 CB ALA A 61 10.048 -2.687 8.469 1.00 0.00 C ATOM 0 H ALA A 61 10.102 -1.131 6.568 1.00 0.00 H new ATOM 0 HA ALA A 61 8.488 -1.242 8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.900 -3.202 9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.488 -3.200 7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.108 -2.689 8.217 1.00 0.00 H new ATOM 967 N GLN A 62 11.503 -0.067 9.445 1.00 0.00 N ATOM 968 CA GLN A 62 12.289 0.636 10.454 1.00 0.00 C ATOM 969 C GLN A 62 11.609 1.942 10.859 1.00 0.00 C ATOM 970 O GLN A 62 11.404 2.201 12.042 1.00 0.00 O ATOM 971 CB GLN A 62 13.691 0.942 9.907 1.00 0.00 C ATOM 972 CG GLN A 62 14.464 -0.360 9.664 1.00 0.00 C ATOM 973 CD GLN A 62 14.798 -1.037 10.989 1.00 0.00 C ATOM 974 OE1 GLN A 62 15.209 -0.374 11.942 1.00 0.00 O ATOM 975 NE2 GLN A 62 14.650 -2.327 11.103 1.00 0.00 N ATOM 0 H GLN A 62 11.964 -0.171 8.541 1.00 0.00 H new ATOM 0 HA GLN A 62 12.369 -0.006 11.331 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.611 1.504 8.977 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.235 1.570 10.613 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.870 -1.032 9.045 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.382 -0.148 9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.309 -2.873 10.312 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.875 -2.790 11.983 1.00 0.00 H new ATOM 984 N ILE A 63 11.279 2.772 9.874 1.00 0.00 N ATOM 985 CA ILE A 63 10.645 4.058 10.156 1.00 0.00 C ATOM 986 C ILE A 63 9.273 3.862 10.795 1.00 0.00 C ATOM 987 O ILE A 63 8.960 4.473 11.818 1.00 0.00 O ATOM 988 CB ILE A 63 10.492 4.856 8.848 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.873 5.037 8.189 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.886 6.236 9.154 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.702 5.606 6.776 1.00 0.00 C ATOM 0 H ILE A 63 11.437 2.582 8.884 1.00 0.00 H new ATOM 0 HA ILE A 63 11.277 4.607 10.854 1.00 0.00 H new ATOM 0 HB ILE A 63 9.834 4.313 8.169 1.00 0.00 H new ATOM 0 HG12 ILE A 63 12.488 5.708 8.789 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.394 4.080 8.145 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.778 6.800 8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.908 6.109 9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.542 6.779 9.835 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.681 5.732 6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 63 11.104 4.919 6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.199 6.572 6.831 1.00 0.00 H new ATOM 1003 N LEU A 64 8.453 3.016 10.182 1.00 0.00 N ATOM 1004 CA LEU A 64 7.111 2.754 10.688 1.00 0.00 C ATOM 1005 C LEU A 64 7.177 1.962 11.994 1.00 0.00 C ATOM 1006 O LEU A 64 6.368 2.163 12.897 1.00 0.00 O ATOM 1007 CB LEU A 64 6.303 1.984 9.633 1.00 0.00 C ATOM 1008 CG LEU A 64 4.805 1.933 10.024 1.00 0.00 C ATOM 1009 CD1 LEU A 64 4.167 3.351 9.971 1.00 0.00 C ATOM 1010 CD2 LEU A 64 4.060 0.980 9.063 1.00 0.00 C ATOM 0 H LEU A 64 8.693 2.501 9.335 1.00 0.00 H new ATOM 0 HA LEU A 64 6.616 3.704 10.891 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.414 2.463 8.660 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.694 0.971 9.536 1.00 0.00 H new ATOM 0 HG LEU A 64 4.721 1.564 11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.115 3.287 10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.687 4.010 10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.251 3.750 8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.005 0.941 9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.158 1.344 8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.490 -0.019 9.135 1.00 0.00 H new ATOM 1022 N GLY A 65 8.142 1.056 12.081 1.00 0.00 N ATOM 1023 CA GLY A 65 8.299 0.235 13.275 1.00 0.00 C ATOM 1024 C GLY A 65 8.443 1.103 14.519 1.00 0.00 C ATOM 1025 O GLY A 65 7.885 0.790 15.571 1.00 0.00 O ATOM 0 H GLY A 65 8.824 0.871 11.345 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.437 -0.423 13.384 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.176 -0.403 13.169 1.00 0.00 H new ATOM 1029 N GLN A 66 9.189 2.194 14.395 1.00 0.00 N ATOM 1030 CA GLN A 66 9.391 3.101 15.519 1.00 0.00 C ATOM 1031 C GLN A 66 8.072 3.765 15.909 1.00 0.00 C ATOM 1032 O GLN A 66 7.843 4.069 17.080 1.00 0.00 O ATOM 1033 CB GLN A 66 10.426 4.175 15.150 1.00 0.00 C ATOM 1034 CG GLN A 66 11.814 3.540 15.037 1.00 0.00 C ATOM 1035 CD GLN A 66 12.821 4.580 14.557 1.00 0.00 C ATOM 1036 OE1 GLN A 66 12.693 5.102 13.449 1.00 0.00 O ATOM 1037 NE2 GLN A 66 13.819 4.914 15.326 1.00 0.00 N ATOM 0 H GLN A 66 9.661 2.471 13.534 1.00 0.00 H new ATOM 0 HA GLN A 66 9.760 2.526 16.368 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.154 4.646 14.206 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.435 4.959 15.907 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.122 3.142 16.004 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.785 2.701 14.342 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.923 4.481 16.243 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.496 5.609 15.010 1.00 0.00 H new ATOM 1046 N THR A 67 7.207 3.989 14.924 1.00 0.00 N ATOM 1047 CA THR A 67 5.918 4.619 15.190 1.00 0.00 C ATOM 1048 C THR A 67 5.082 3.744 16.119 1.00 0.00 C ATOM 1049 O THR A 67 4.516 4.228 17.098 1.00 0.00 O ATOM 1050 CB THR A 67 5.161 4.850 13.874 1.00 0.00 C ATOM 1051 OG1 THR A 67 6.024 5.487 12.941 1.00 0.00 O ATOM 1052 CG2 THR A 67 3.936 5.731 14.124 1.00 0.00 C ATOM 0 H THR A 67 7.372 3.747 13.947 1.00 0.00 H new ATOM 0 HA THR A 67 6.095 5.580 15.674 1.00 0.00 H new ATOM 0 HB THR A 67 4.833 3.891 13.474 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.544 5.634 12.099 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.405 5.890 13.186 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.274 5.240 14.837 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.255 6.692 14.528 1.00 0.00 H new ATOM 1060 N TYR A 68 5.018 2.447 15.810 1.00 0.00 N ATOM 1061 CA TYR A 68 4.255 1.494 16.626 1.00 0.00 C ATOM 1062 C TYR A 68 5.153 0.850 17.678 1.00 0.00 C ATOM 1063 O TYR A 68 4.690 0.056 18.496 1.00 0.00 O ATOM 1064 CB TYR A 68 3.655 0.405 15.729 1.00 0.00 C ATOM 1065 CG TYR A 68 2.605 1.014 14.823 1.00 0.00 C ATOM 1066 CD1 TYR A 68 2.984 1.612 13.616 1.00 0.00 C ATOM 1067 CD2 TYR A 68 1.252 0.985 15.193 1.00 0.00 C ATOM 1068 CE1 TYR A 68 2.015 2.178 12.781 1.00 0.00 C ATOM 1069 CE2 TYR A 68 0.285 1.551 14.356 1.00 0.00 C ATOM 1070 CZ TYR A 68 0.666 2.148 13.150 1.00 0.00 C ATOM 1071 OH TYR A 68 -0.288 2.705 12.324 1.00 0.00 O ATOM 0 H TYR A 68 5.483 2.031 15.003 1.00 0.00 H new ATOM 0 HA TYR A 68 3.454 2.034 17.130 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.439 -0.061 15.132 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.211 -0.380 16.341 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.025 1.637 13.329 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.957 0.525 16.125 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.309 2.639 11.850 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.756 1.527 14.641 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.174 2.598 12.729 1.00 0.00 H new ATOM 1081 N ASP A 69 6.436 1.201 17.658 1.00 0.00 N ATOM 1082 CA ASP A 69 7.386 0.652 18.624 1.00 0.00 C ATOM 1083 C ASP A 69 7.274 -0.870 18.703 1.00 0.00 C ATOM 1084 O ASP A 69 6.956 -1.425 19.755 1.00 0.00 O ATOM 1085 CB ASP A 69 7.127 1.252 20.008 1.00 0.00 C ATOM 1086 CG ASP A 69 8.227 0.831 20.981 1.00 0.00 C ATOM 1087 OD1 ASP A 69 9.047 0.009 20.605 1.00 0.00 O ATOM 1088 OD2 ASP A 69 8.231 1.337 22.092 1.00 0.00 O ATOM 0 H ASP A 69 6.840 1.857 16.990 1.00 0.00 H new ATOM 0 HA ASP A 69 8.392 0.909 18.291 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.089 2.339 19.939 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.157 0.922 20.380 1.00 0.00 H new ATOM 1093 N ALA A 70 7.531 -1.538 17.580 1.00 0.00 N ATOM 1094 CA ALA A 70 7.455 -3.001 17.509 1.00 0.00 C ATOM 1095 C ALA A 70 8.538 -3.539 16.575 1.00 0.00 C ATOM 1096 O ALA A 70 9.128 -2.787 15.799 1.00 0.00 O ATOM 1097 CB ALA A 70 6.073 -3.419 17.000 1.00 0.00 C ATOM 0 H ALA A 70 7.795 -1.090 16.702 1.00 0.00 H new ATOM 0 HA ALA A 70 7.613 -3.415 18.505 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.018 -4.506 16.948 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.307 -3.049 17.682 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.909 -2.999 16.008 1.00 0.00 H new ATOM 1103 N ASP A 71 8.794 -4.841 16.660 1.00 0.00 N ATOM 1104 CA ASP A 71 9.812 -5.468 15.824 1.00 0.00 C ATOM 1105 C ASP A 71 9.523 -5.191 14.332 1.00 0.00 C ATOM 1106 O ASP A 71 8.525 -5.686 13.805 1.00 0.00 O ATOM 1107 CB ASP A 71 9.802 -6.983 16.066 1.00 0.00 C ATOM 1108 CG ASP A 71 10.271 -7.293 17.486 1.00 0.00 C ATOM 1109 OD1 ASP A 71 11.105 -6.559 17.990 1.00 0.00 O ATOM 1110 OD2 ASP A 71 9.785 -8.261 18.049 1.00 0.00 O ATOM 0 H ASP A 71 8.314 -5.479 17.295 1.00 0.00 H new ATOM 0 HA ASP A 71 10.787 -5.054 16.081 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.797 -7.376 15.913 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.452 -7.478 15.344 1.00 0.00 H new ATOM 1115 N PRO A 72 10.351 -4.421 13.633 1.00 0.00 N ATOM 1116 CA PRO A 72 10.117 -4.113 12.181 1.00 0.00 C ATOM 1117 C PRO A 72 9.806 -5.363 11.347 1.00 0.00 C ATOM 1118 O PRO A 72 9.001 -5.309 10.418 1.00 0.00 O ATOM 1119 CB PRO A 72 11.447 -3.466 11.728 1.00 0.00 C ATOM 1120 CG PRO A 72 12.003 -2.840 12.970 1.00 0.00 C ATOM 1121 CD PRO A 72 11.576 -3.752 14.127 1.00 0.00 C ATOM 0 HA PRO A 72 9.248 -3.470 12.042 1.00 0.00 H new ATOM 0 HB2 PRO A 72 12.131 -4.210 11.318 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.281 -2.722 10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.089 -2.761 12.915 1.00 0.00 H new ATOM 0 HG3 PRO A 72 11.616 -1.830 13.105 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.354 -4.476 14.371 1.00 0.00 H new ATOM 0 HD3 PRO A 72 11.378 -3.179 15.033 1.00 0.00 H new ATOM 1129 N ALA A 73 10.451 -6.478 11.677 1.00 0.00 N ATOM 1130 CA ALA A 73 10.236 -7.723 10.939 1.00 0.00 C ATOM 1131 C ALA A 73 8.744 -8.037 10.816 1.00 0.00 C ATOM 1132 O ALA A 73 8.290 -8.559 9.797 1.00 0.00 O ATOM 1133 CB ALA A 73 10.939 -8.874 11.660 1.00 0.00 C ATOM 0 H ALA A 73 11.121 -6.548 12.443 1.00 0.00 H new ATOM 0 HA ALA A 73 10.649 -7.603 9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.778 -9.801 11.109 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.008 -8.668 11.719 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.533 -8.975 12.667 1.00 0.00 H new ATOM 1139 N ILE A 74 7.989 -7.713 11.859 1.00 0.00 N ATOM 1140 CA ILE A 74 6.547 -7.951 11.861 1.00 0.00 C ATOM 1141 C ILE A 74 5.842 -6.993 10.904 1.00 0.00 C ATOM 1142 O ILE A 74 4.912 -7.381 10.200 1.00 0.00 O ATOM 1143 CB ILE A 74 5.976 -7.784 13.277 1.00 0.00 C ATOM 1144 CG1 ILE A 74 6.725 -8.717 14.243 1.00 0.00 C ATOM 1145 CG2 ILE A 74 4.480 -8.141 13.274 1.00 0.00 C ATOM 1146 CD1 ILE A 74 6.311 -8.419 15.688 1.00 0.00 C ATOM 0 H ILE A 74 8.348 -7.286 12.713 1.00 0.00 H new ATOM 0 HA ILE A 74 6.373 -8.974 11.527 1.00 0.00 H new ATOM 0 HB ILE A 74 6.100 -6.750 13.600 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.506 -9.757 14.000 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.801 -8.583 14.130 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.076 -8.022 14.279 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.949 -7.480 12.589 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.353 -9.175 12.952 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.847 -9.085 16.365 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.553 -7.384 15.930 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.238 -8.576 15.799 1.00 0.00 H new ATOM 1158 N ILE A 75 6.270 -5.733 10.906 1.00 0.00 N ATOM 1159 CA ILE A 75 5.642 -4.722 10.055 1.00 0.00 C ATOM 1160 C ILE A 75 5.768 -5.104 8.578 1.00 0.00 C ATOM 1161 O ILE A 75 4.789 -5.039 7.836 1.00 0.00 O ATOM 1162 CB ILE A 75 6.310 -3.344 10.309 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.793 -2.740 11.629 1.00 0.00 C ATOM 1164 CG2 ILE A 75 6.003 -2.353 9.161 1.00 0.00 C ATOM 1165 CD1 ILE A 75 6.084 -3.676 12.807 1.00 0.00 C ATOM 0 H ILE A 75 7.040 -5.389 11.480 1.00 0.00 H new ATOM 0 HA ILE A 75 4.582 -4.663 10.302 1.00 0.00 H new ATOM 0 HB ILE A 75 7.387 -3.506 10.364 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.266 -1.773 11.802 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.720 -2.562 11.557 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.484 -1.397 9.367 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.383 -2.755 8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.925 -2.208 9.084 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.710 -3.229 13.728 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.590 -4.633 12.642 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.159 -3.833 12.890 1.00 0.00 H new ATOM 1177 N GLU A 76 6.967 -5.484 8.150 1.00 0.00 N ATOM 1178 CA GLU A 76 7.165 -5.846 6.751 1.00 0.00 C ATOM 1179 C GLU A 76 6.298 -7.051 6.396 1.00 0.00 C ATOM 1180 O GLU A 76 5.628 -7.067 5.364 1.00 0.00 O ATOM 1181 CB GLU A 76 8.648 -6.143 6.462 1.00 0.00 C ATOM 1182 CG GLU A 76 9.205 -7.130 7.486 1.00 0.00 C ATOM 1183 CD GLU A 76 10.699 -7.330 7.262 1.00 0.00 C ATOM 1184 OE1 GLU A 76 11.049 -8.220 6.505 1.00 0.00 O ATOM 1185 OE2 GLU A 76 11.471 -6.595 7.855 1.00 0.00 O ATOM 0 H GLU A 76 7.799 -5.549 8.736 1.00 0.00 H new ATOM 0 HA GLU A 76 6.866 -5.001 6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.754 -6.553 5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.223 -5.217 6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.027 -6.758 8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.686 -8.085 7.402 1.00 0.00 H new ATOM 1192 N ALA A 77 6.315 -8.050 7.267 1.00 0.00 N ATOM 1193 CA ALA A 77 5.533 -9.260 7.061 1.00 0.00 C ATOM 1194 C ALA A 77 4.036 -8.968 7.133 1.00 0.00 C ATOM 1195 O ALA A 77 3.226 -9.754 6.650 1.00 0.00 O ATOM 1196 CB ALA A 77 5.912 -10.311 8.106 1.00 0.00 C ATOM 0 H ALA A 77 6.864 -8.046 8.126 1.00 0.00 H new ATOM 0 HA ALA A 77 5.756 -9.643 6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.322 -11.213 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.972 -10.549 8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.712 -9.920 9.104 1.00 0.00 H new ATOM 1202 N ASP A 78 3.672 -7.847 7.764 1.00 0.00 N ATOM 1203 CA ASP A 78 2.261 -7.467 7.905 1.00 0.00 C ATOM 1204 C ASP A 78 1.736 -6.802 6.633 1.00 0.00 C ATOM 1205 O ASP A 78 0.671 -7.158 6.130 1.00 0.00 O ATOM 1206 CB ASP A 78 2.098 -6.510 9.089 1.00 0.00 C ATOM 1207 CG ASP A 78 0.616 -6.251 9.365 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.202 -6.683 8.568 1.00 0.00 O ATOM 1209 OD2 ASP A 78 0.323 -5.631 10.373 1.00 0.00 O ATOM 0 H ASP A 78 4.330 -7.190 8.183 1.00 0.00 H new ATOM 0 HA ASP A 78 1.682 -8.374 8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.571 -6.934 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.605 -5.569 8.876 1.00 0.00 H new ATOM 1214 N ILE A 79 2.487 -5.825 6.124 1.00 0.00 N ATOM 1215 CA ILE A 79 2.086 -5.105 4.915 1.00 0.00 C ATOM 1216 C ILE A 79 2.215 -6.000 3.678 1.00 0.00 C ATOM 1217 O ILE A 79 1.352 -5.974 2.802 1.00 0.00 O ATOM 1218 CB ILE A 79 2.934 -3.831 4.756 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.416 -4.217 4.614 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.734 -2.946 6.000 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.308 -2.966 4.608 1.00 0.00 C ATOM 0 H ILE A 79 3.371 -5.515 6.527 1.00 0.00 H new ATOM 0 HA ILE A 79 1.039 -4.819 5.012 1.00 0.00 H new ATOM 0 HB ILE A 79 2.627 -3.283 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.706 -4.872 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.563 -4.779 3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.330 -2.039 5.901 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.681 -2.680 6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.049 -3.492 6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.352 -3.264 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.031 -2.325 3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.176 -2.420 5.542 1.00 0.00 H new ATOM 1233 N LEU A 80 3.292 -6.792 3.606 1.00 0.00 N ATOM 1234 CA LEU A 80 3.516 -7.688 2.463 1.00 0.00 C ATOM 1235 C LEU A 80 2.204 -8.398 2.045 1.00 0.00 C ATOM 1236 O LEU A 80 1.735 -8.195 0.923 1.00 0.00 O ATOM 1237 CB LEU A 80 4.652 -8.704 2.807 1.00 0.00 C ATOM 1238 CG LEU A 80 6.053 -8.159 2.395 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.163 -8.857 3.208 1.00 0.00 C ATOM 1240 CD2 LEU A 80 6.309 -8.412 0.897 1.00 0.00 C ATOM 0 H LEU A 80 4.019 -6.831 4.321 1.00 0.00 H new ATOM 0 HA LEU A 80 3.837 -7.099 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.642 -8.913 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.464 -9.648 2.296 1.00 0.00 H new ATOM 0 HG LEU A 80 6.068 -7.088 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.135 -8.465 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.008 -8.670 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.131 -9.930 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.291 -8.026 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.272 -9.483 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.544 -7.907 0.307 1.00 0.00 H new ATOM 1252 N PRO A 81 1.590 -9.179 2.912 1.00 0.00 N ATOM 1253 CA PRO A 81 0.298 -9.866 2.604 1.00 0.00 C ATOM 1254 C PRO A 81 -0.663 -8.970 1.812 1.00 0.00 C ATOM 1255 O PRO A 81 -1.338 -9.423 0.890 1.00 0.00 O ATOM 1256 CB PRO A 81 -0.290 -10.158 4.005 1.00 0.00 C ATOM 1257 CG PRO A 81 0.888 -10.234 4.944 1.00 0.00 C ATOM 1258 CD PRO A 81 2.072 -9.524 4.256 1.00 0.00 C ATOM 0 HA PRO A 81 0.446 -10.752 1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.981 -9.372 4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -0.850 -11.093 4.006 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.653 -9.755 5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.138 -11.272 5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.370 -8.632 4.808 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.945 -10.175 4.206 1.00 0.00 H new ATOM 1266 N MET A 82 -0.726 -7.701 2.201 1.00 0.00 N ATOM 1267 CA MET A 82 -1.617 -6.757 1.541 1.00 0.00 C ATOM 1268 C MET A 82 -1.184 -6.534 0.099 1.00 0.00 C ATOM 1269 O MET A 82 -2.018 -6.425 -0.798 1.00 0.00 O ATOM 1270 CB MET A 82 -1.623 -5.418 2.299 1.00 0.00 C ATOM 1271 CG MET A 82 -2.785 -4.541 1.814 1.00 0.00 C ATOM 1272 SD MET A 82 -4.344 -5.231 2.427 1.00 0.00 S ATOM 1273 CE MET A 82 -5.434 -3.967 1.736 1.00 0.00 C ATOM 0 H MET A 82 -0.175 -7.306 2.963 1.00 0.00 H new ATOM 0 HA MET A 82 -2.624 -7.173 1.543 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.716 -5.598 3.370 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.677 -4.899 2.144 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.660 -3.519 2.172 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.795 -4.499 0.725 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.471 -4.285 1.840 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.287 -3.028 2.270 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.203 -3.825 0.680 1.00 0.00 H new ATOM 1283 N LEU A 83 0.121 -6.460 -0.117 1.00 0.00 N ATOM 1284 CA LEU A 83 0.642 -6.236 -1.460 1.00 0.00 C ATOM 1285 C LEU A 83 0.238 -7.382 -2.376 1.00 0.00 C ATOM 1286 O LEU A 83 -0.056 -7.171 -3.552 1.00 0.00 O ATOM 1287 CB LEU A 83 2.170 -6.102 -1.429 1.00 0.00 C ATOM 1288 CG LEU A 83 2.592 -5.069 -0.368 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.124 -4.945 -0.366 1.00 0.00 C ATOM 1290 CD2 LEU A 83 1.952 -3.693 -0.664 1.00 0.00 C ATOM 0 H LEU A 83 0.832 -6.550 0.609 1.00 0.00 H new ATOM 0 HA LEU A 83 0.219 -5.308 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.623 -7.068 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.536 -5.797 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 83 2.248 -5.403 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.429 -4.215 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.567 -5.913 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.464 -4.619 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.262 -2.976 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.276 -3.344 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.866 -3.787 -0.653 1.00 0.00 H new ATOM 1302 N ALA A 84 0.220 -8.591 -1.833 1.00 0.00 N ATOM 1303 CA ALA A 84 -0.161 -9.757 -2.618 1.00 0.00 C ATOM 1304 C ALA A 84 -1.591 -9.608 -3.128 1.00 0.00 C ATOM 1305 O ALA A 84 -1.885 -9.926 -4.279 1.00 0.00 O ATOM 1306 CB ALA A 84 -0.051 -11.020 -1.763 1.00 0.00 C ATOM 0 H ALA A 84 0.462 -8.790 -0.862 1.00 0.00 H new ATOM 0 HA ALA A 84 0.513 -9.838 -3.471 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.338 -11.888 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.977 -11.139 -1.420 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.714 -10.935 -0.902 1.00 0.00 H new ATOM 1312 N GLY A 85 -2.475 -9.120 -2.263 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.874 -8.926 -2.630 1.00 0.00 C ATOM 1314 C GLY A 85 -4.045 -7.773 -3.620 1.00 0.00 C ATOM 1315 O GLY A 85 -4.852 -7.855 -4.545 1.00 0.00 O ATOM 0 H GLY A 85 -2.248 -8.852 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.266 -9.844 -3.069 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.461 -8.726 -1.734 1.00 0.00 H new ATOM 1319 N LEU A 86 -3.294 -6.694 -3.411 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.386 -5.529 -4.283 1.00 0.00 C ATOM 1321 C LEU A 86 -2.857 -5.859 -5.677 1.00 0.00 C ATOM 1322 O LEU A 86 -3.417 -5.429 -6.682 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.577 -4.373 -3.677 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.229 -3.886 -2.359 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.245 -2.970 -1.615 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.549 -3.116 -2.630 1.00 0.00 C ATOM 0 H LEU A 86 -2.620 -6.604 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.432 -5.236 -4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.555 -4.698 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.521 -3.549 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.466 -4.759 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.700 -2.625 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.333 -3.523 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.003 -2.111 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.980 -2.789 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.342 -2.247 -3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.254 -3.771 -3.142 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.775 -6.620 -5.731 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.181 -6.992 -7.009 1.00 0.00 C ATOM 1340 C ALA A 87 -2.219 -7.652 -7.914 1.00 0.00 C ATOM 1341 O ALA A 87 -2.254 -7.404 -9.120 1.00 0.00 O ATOM 1342 CB ALA A 87 -0.019 -7.956 -6.774 1.00 0.00 C ATOM 0 H ALA A 87 -1.292 -6.991 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.816 -6.089 -7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.423 -8.233 -7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.734 -7.473 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.385 -8.851 -6.271 1.00 0.00 H new ATOM 1348 N GLN A 88 -3.059 -8.489 -7.320 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.099 -9.182 -8.072 1.00 0.00 C ATOM 1350 C GLN A 88 -5.066 -8.180 -8.697 1.00 0.00 C ATOM 1351 O GLN A 88 -5.753 -8.491 -9.669 1.00 0.00 O ATOM 1352 CB GLN A 88 -4.869 -10.128 -7.146 1.00 0.00 C ATOM 1353 CG GLN A 88 -3.948 -11.255 -6.675 1.00 0.00 C ATOM 1354 CD GLN A 88 -4.708 -12.185 -5.734 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -5.830 -12.593 -6.036 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -4.162 -12.547 -4.605 1.00 0.00 N ATOM 0 H GLN A 88 -3.042 -8.705 -6.323 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.625 -9.757 -8.868 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.254 -9.578 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.729 -10.544 -7.670 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.576 -11.815 -7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.079 -10.838 -6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.233 -12.208 -4.356 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.665 -13.169 -3.972 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.117 -6.975 -8.126 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.009 -5.922 -8.623 1.00 0.00 C ATOM 1367 C LYS A 89 -5.263 -5.023 -9.600 1.00 0.00 C ATOM 1368 O LYS A 89 -5.842 -4.114 -10.192 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.517 -5.081 -7.449 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.365 -5.957 -6.526 1.00 0.00 C ATOM 1371 CD LYS A 89 -7.824 -5.136 -5.321 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.670 -6.014 -4.398 1.00 0.00 C ATOM 1373 NZ LYS A 89 -9.093 -5.223 -3.210 1.00 0.00 N ATOM 0 H LYS A 89 -4.553 -6.703 -7.321 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.852 -6.386 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.676 -4.660 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.108 -4.242 -7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.229 -6.343 -7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.787 -6.819 -6.193 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.960 -4.749 -4.781 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.404 -4.275 -5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.545 -6.384 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.097 -6.886 -4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.640 -5.829 -2.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.252 -4.862 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.683 -4.424 -3.517 1.00 0.00 H new ATOM 1387 N ARG A 90 -3.971 -5.288 -9.762 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.147 -4.501 -10.670 1.00 0.00 C ATOM 1389 C ARG A 90 -3.222 -3.023 -10.307 1.00 0.00 C ATOM 1390 O ARG A 90 -3.781 -2.219 -11.053 1.00 0.00 O ATOM 1391 CB ARG A 90 -3.619 -4.708 -12.115 1.00 0.00 C ATOM 1392 CG ARG A 90 -2.592 -4.117 -13.088 1.00 0.00 C ATOM 1393 CD ARG A 90 -3.096 -4.279 -14.523 1.00 0.00 C ATOM 1394 NE ARG A 90 -3.138 -5.692 -14.881 1.00 0.00 N ATOM 1395 CZ ARG A 90 -3.566 -6.088 -16.076 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -3.589 -7.359 -16.373 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -3.966 -5.207 -16.952 1.00 0.00 N ATOM 0 H ARG A 90 -3.475 -6.037 -9.279 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.112 -4.832 -10.580 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.752 -5.771 -12.315 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.588 -4.232 -12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.429 -3.062 -12.865 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.632 -4.620 -12.970 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.090 -3.841 -14.620 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.442 -3.741 -15.210 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.833 -6.390 -14.202 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.279 -8.048 -15.688 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.917 -7.663 -17.290 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.950 -4.214 -16.720 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.294 -5.512 -17.868 1.00 0.00 H new ATOM 1411 N VAL A 91 -2.661 -2.674 -9.149 1.00 0.00 N ATOM 1412 CA VAL A 91 -2.665 -1.287 -8.674 1.00 0.00 C ATOM 1413 C VAL A 91 -1.330 -0.935 -8.032 1.00 0.00 C ATOM 1414 O VAL A 91 -1.223 0.054 -7.306 1.00 0.00 O ATOM 1415 CB VAL A 91 -3.794 -1.087 -7.663 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.138 -1.384 -8.332 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -3.596 -2.032 -6.473 1.00 0.00 C ATOM 0 H VAL A 91 -2.198 -3.331 -8.522 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.824 -0.629 -9.529 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.783 -0.056 -7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.943 -1.241 -7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.282 -0.708 -9.175 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.148 -2.414 -8.687 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.403 -1.886 -5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.604 -3.064 -6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.641 -1.818 -5.994 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.316 -1.757 -8.305 1.00 0.00 N ATOM 1428 CA LEU A 92 1.037 -1.553 -7.765 1.00 0.00 C ATOM 1429 C LEU A 92 2.045 -1.433 -8.887 1.00 0.00 C ATOM 1430 O LEU A 92 1.803 -1.856 -10.017 1.00 0.00 O ATOM 1431 CB LEU A 92 1.439 -2.734 -6.867 1.00 0.00 C ATOM 1432 CG LEU A 92 0.660 -2.727 -5.541 1.00 0.00 C ATOM 1433 CD1 LEU A 92 1.027 -4.009 -4.774 1.00 0.00 C ATOM 1434 CD2 LEU A 92 1.004 -1.473 -4.687 1.00 0.00 C ATOM 0 H LEU A 92 -0.404 -2.579 -8.902 1.00 0.00 H new ATOM 0 HA LEU A 92 1.028 -0.632 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.255 -3.671 -7.393 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.509 -2.688 -6.662 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.410 -2.692 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.489 -4.033 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.753 -4.880 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.100 -4.024 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.436 -1.499 -3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.070 -1.468 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.747 -0.572 -5.244 1.00 0.00 H new ATOM 1446 N GLU A 93 3.182 -0.841 -8.548 1.00 0.00 N ATOM 1447 CA GLU A 93 4.265 -0.642 -9.502 1.00 0.00 C ATOM 1448 C GLU A 93 5.613 -0.879 -8.830 1.00 0.00 C ATOM 1449 O GLU A 93 5.806 -0.567 -7.655 1.00 0.00 O ATOM 1450 CB GLU A 93 4.205 0.790 -10.035 1.00 0.00 C ATOM 1451 CG GLU A 93 5.239 0.982 -11.141 1.00 0.00 C ATOM 1452 CD GLU A 93 5.131 2.392 -11.718 1.00 0.00 C ATOM 1453 OE1 GLU A 93 4.494 3.222 -11.091 1.00 0.00 O ATOM 1454 OE2 GLU A 93 5.683 2.619 -12.782 1.00 0.00 O ATOM 0 H GLU A 93 3.379 -0.488 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 93 4.153 -1.350 -10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.207 1.002 -10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.392 1.496 -9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.241 0.818 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.082 0.245 -11.929 1.00 0.00 H new ATOM 1461 N ARG A 94 6.535 -1.432 -9.602 1.00 0.00 N ATOM 1462 CA ARG A 94 7.880 -1.721 -9.117 1.00 0.00 C ATOM 1463 C ARG A 94 8.811 -2.037 -10.286 1.00 0.00 C ATOM 1464 O ARG A 94 9.956 -2.374 -10.034 1.00 0.00 O ATOM 1465 CB ARG A 94 7.844 -2.914 -8.153 1.00 0.00 C ATOM 1466 CG ARG A 94 7.312 -4.156 -8.880 1.00 0.00 C ATOM 1467 CD ARG A 94 7.241 -5.326 -7.905 1.00 0.00 C ATOM 1468 NE ARG A 94 6.775 -6.522 -8.606 1.00 0.00 N ATOM 1469 CZ ARG A 94 7.612 -7.301 -9.289 1.00 0.00 C ATOM 1470 NH1 ARG A 94 7.167 -8.372 -9.890 1.00 0.00 N ATOM 1471 NH2 ARG A 94 8.877 -6.990 -9.361 1.00 0.00 N ATOM 1472 OXT ARG A 94 8.365 -1.933 -11.418 1.00 0.00 O ATOM 0 H ARG A 94 6.377 -1.692 -10.575 1.00 0.00 H new ATOM 0 HA ARG A 94 8.255 -0.842 -8.592 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.844 -3.109 -7.765 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.209 -2.683 -7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.324 -3.953 -9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.963 -4.406 -9.718 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.223 -5.508 -7.468 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.565 -5.087 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 94 5.785 -6.765 -8.571 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.177 -8.613 -9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.809 -8.968 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.223 -6.152 -8.895 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.520 -7.585 -9.884 1.00 0.00 H new TER 1486 ARG A 94