USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 808 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -2.25! C(o=-7.1!,f=-2.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -170:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 85:sc= -0.608 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 158:sc=-0.00781 (180deg=-1.27) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.64 USER MOD Single : A 78 ASN : amide:sc= -1 K(o=-1,f=-6.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0145 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -169:sc= -1.43 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 92 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4.4!) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= 0.341 (180deg=0.225) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.536 -11.138 27.310 1.00 0.00 N ATOM 2 CA GLY A 1 21.089 -11.516 28.599 1.00 0.00 C ATOM 3 C GLY A 1 20.028 -11.426 29.698 1.00 0.00 C ATOM 4 O GLY A 1 19.440 -12.436 30.082 1.00 0.00 O ATOM 0 H1 GLY A 1 21.275 -11.207 26.581 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.751 -11.776 27.069 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.186 -10.160 27.356 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.479 -12.532 28.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.928 -10.865 28.844 1.00 0.00 H new ATOM 8 N SER A 2 19.815 -10.208 30.173 1.00 0.00 N ATOM 9 CA SER A 2 18.835 -9.973 31.220 1.00 0.00 C ATOM 10 C SER A 2 17.440 -9.833 30.609 1.00 0.00 C ATOM 11 O SER A 2 17.302 -9.678 29.396 1.00 0.00 O ATOM 12 CB SER A 2 19.186 -8.726 32.034 1.00 0.00 C ATOM 13 OG SER A 2 20.234 -8.975 32.967 1.00 0.00 O ATOM 0 H SER A 2 20.305 -9.373 29.852 1.00 0.00 H new ATOM 0 HA SER A 2 18.845 -10.829 31.895 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.485 -7.924 31.359 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.301 -8.380 32.567 1.00 0.00 H new ATOM 0 HG SER A 2 20.430 -8.154 33.466 1.00 0.00 H new ATOM 19 N SER A 3 16.440 -9.891 31.476 1.00 0.00 N ATOM 20 CA SER A 3 15.060 -9.772 31.037 1.00 0.00 C ATOM 21 C SER A 3 14.623 -8.307 31.075 1.00 0.00 C ATOM 22 O SER A 3 14.658 -7.672 32.128 1.00 0.00 O ATOM 23 CB SER A 3 14.131 -10.626 31.902 1.00 0.00 C ATOM 24 OG SER A 3 13.268 -11.442 31.115 1.00 0.00 O ATOM 0 H SER A 3 16.558 -10.019 32.481 1.00 0.00 H new ATOM 0 HA SER A 3 14.995 -10.137 30.012 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.728 -11.258 32.559 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.533 -9.977 32.541 1.00 0.00 H new ATOM 0 HG SER A 3 12.692 -11.973 31.704 1.00 0.00 H new ATOM 30 N GLY A 4 14.222 -7.811 29.914 1.00 0.00 N ATOM 31 CA GLY A 4 13.779 -6.432 29.801 1.00 0.00 C ATOM 32 C GLY A 4 12.461 -6.217 30.548 1.00 0.00 C ATOM 33 O GLY A 4 11.716 -7.166 30.787 1.00 0.00 O ATOM 0 H GLY A 4 14.195 -8.340 29.042 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.542 -5.767 30.204 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.652 -6.172 28.750 1.00 0.00 H new ATOM 37 N SER A 5 12.214 -4.963 30.898 1.00 0.00 N ATOM 38 CA SER A 5 10.999 -4.611 31.613 1.00 0.00 C ATOM 39 C SER A 5 10.376 -3.355 31.000 1.00 0.00 C ATOM 40 O SER A 5 11.089 -2.474 30.522 1.00 0.00 O ATOM 41 CB SER A 5 11.280 -4.392 33.101 1.00 0.00 C ATOM 42 OG SER A 5 10.158 -3.836 33.780 1.00 0.00 O ATOM 0 H SER A 5 12.835 -4.178 30.700 1.00 0.00 H new ATOM 0 HA SER A 5 10.296 -5.439 31.521 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.549 -5.342 33.563 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.137 -3.729 33.214 1.00 0.00 H new ATOM 0 HG SER A 5 10.377 -3.713 34.727 1.00 0.00 H new ATOM 48 N SER A 6 9.053 -3.313 31.034 1.00 0.00 N ATOM 49 CA SER A 6 8.325 -2.180 30.488 1.00 0.00 C ATOM 50 C SER A 6 8.571 -2.078 28.981 1.00 0.00 C ATOM 51 O SER A 6 9.570 -1.505 28.549 1.00 0.00 O ATOM 52 CB SER A 6 8.732 -0.878 31.181 1.00 0.00 C ATOM 53 OG SER A 6 7.603 -0.077 31.518 1.00 0.00 O ATOM 0 H SER A 6 8.465 -4.046 31.431 1.00 0.00 H new ATOM 0 HA SER A 6 7.261 -2.338 30.667 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.295 -1.109 32.085 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.396 -0.312 30.528 1.00 0.00 H new ATOM 0 HG SER A 6 7.905 0.744 31.960 1.00 0.00 H new ATOM 59 N GLY A 7 7.642 -2.642 28.223 1.00 0.00 N ATOM 60 CA GLY A 7 7.745 -2.622 26.774 1.00 0.00 C ATOM 61 C GLY A 7 7.014 -3.815 26.155 1.00 0.00 C ATOM 62 O GLY A 7 6.525 -4.687 26.872 1.00 0.00 O ATOM 0 H GLY A 7 6.814 -3.116 28.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.324 -1.693 26.389 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.794 -2.642 26.480 1.00 0.00 H new ATOM 66 N PHE A 8 6.962 -3.815 24.832 1.00 0.00 N ATOM 67 CA PHE A 8 6.299 -4.886 24.109 1.00 0.00 C ATOM 68 C PHE A 8 7.293 -5.980 23.716 1.00 0.00 C ATOM 69 O PHE A 8 8.495 -5.732 23.636 1.00 0.00 O ATOM 70 CB PHE A 8 5.708 -4.270 22.839 1.00 0.00 C ATOM 71 CG PHE A 8 6.753 -3.676 21.892 1.00 0.00 C ATOM 72 CD1 PHE A 8 7.572 -4.497 21.181 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.862 -2.327 21.761 1.00 0.00 C ATOM 74 CE1 PHE A 8 8.541 -3.945 20.302 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.832 -1.775 20.882 1.00 0.00 C ATOM 76 CZ PHE A 8 8.651 -2.596 20.171 1.00 0.00 C ATOM 0 H PHE A 8 7.369 -3.090 24.241 1.00 0.00 H new ATOM 0 HA PHE A 8 5.531 -5.339 24.737 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.142 -5.034 22.306 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.002 -3.489 23.121 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.485 -5.568 21.285 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.211 -1.675 22.325 1.00 0.00 H new ATOM 0 HE1 PHE A 8 9.191 -4.597 19.737 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.919 -0.704 20.778 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.388 -2.177 19.503 1.00 0.00 H new ATOM 86 N PHE A 9 6.755 -7.168 23.480 1.00 0.00 N ATOM 87 CA PHE A 9 7.580 -8.301 23.097 1.00 0.00 C ATOM 88 C PHE A 9 7.704 -8.400 21.576 1.00 0.00 C ATOM 89 O PHE A 9 8.811 -8.464 21.042 1.00 0.00 O ATOM 90 CB PHE A 9 6.885 -9.559 23.623 1.00 0.00 C ATOM 91 CG PHE A 9 6.940 -9.709 25.145 1.00 0.00 C ATOM 92 CD1 PHE A 9 6.140 -8.942 25.933 1.00 0.00 C ATOM 93 CD2 PHE A 9 7.787 -10.610 25.709 1.00 0.00 C ATOM 94 CE1 PHE A 9 6.190 -9.082 27.345 1.00 0.00 C ATOM 95 CE2 PHE A 9 7.837 -10.750 27.122 1.00 0.00 C ATOM 96 CZ PHE A 9 7.038 -9.983 27.910 1.00 0.00 C ATOM 0 H PHE A 9 5.757 -7.370 23.547 1.00 0.00 H new ATOM 0 HA PHE A 9 8.582 -8.187 23.510 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.842 -9.545 23.307 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.345 -10.435 23.165 1.00 0.00 H new ATOM 0 HD1 PHE A 9 5.467 -8.226 25.485 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.422 -11.219 25.083 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.554 -8.473 27.971 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.510 -11.466 27.570 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.076 -10.089 28.984 1.00 0.00 H new ATOM 106 N LYS A 10 6.553 -8.409 20.920 1.00 0.00 N ATOM 107 CA LYS A 10 6.519 -8.499 19.470 1.00 0.00 C ATOM 108 C LYS A 10 5.111 -8.162 18.975 1.00 0.00 C ATOM 109 O LYS A 10 4.143 -8.269 19.727 1.00 0.00 O ATOM 110 CB LYS A 10 7.023 -9.867 19.006 1.00 0.00 C ATOM 111 CG LYS A 10 6.011 -10.966 19.337 1.00 0.00 C ATOM 112 CD LYS A 10 6.175 -12.164 18.401 1.00 0.00 C ATOM 113 CE LYS A 10 7.445 -12.950 18.733 1.00 0.00 C ATOM 114 NZ LYS A 10 7.189 -14.406 18.655 1.00 0.00 N ATOM 0 H LYS A 10 5.637 -8.355 21.366 1.00 0.00 H new ATOM 0 HA LYS A 10 7.196 -7.769 19.027 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.204 -9.846 17.931 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.976 -10.089 19.486 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.143 -11.287 20.370 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.999 -10.570 19.253 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.306 -12.817 18.485 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.216 -11.820 17.368 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.240 -12.677 18.040 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.790 -12.689 19.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.061 -14.925 18.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.445 -14.665 19.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.881 -14.653 17.693 1.00 0.00 H new ATOM 128 N GLY A 11 5.041 -7.763 17.714 1.00 0.00 N ATOM 129 CA GLY A 11 3.767 -7.410 17.110 1.00 0.00 C ATOM 130 C GLY A 11 3.325 -6.010 17.543 1.00 0.00 C ATOM 131 O GLY A 11 3.700 -5.541 18.616 1.00 0.00 O ATOM 0 H GLY A 11 5.846 -7.676 17.093 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.852 -7.449 16.024 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.010 -8.140 17.397 1.00 0.00 H new ATOM 135 N ALA A 12 2.533 -5.384 16.685 1.00 0.00 N ATOM 136 CA ALA A 12 2.036 -4.047 16.965 1.00 0.00 C ATOM 137 C ALA A 12 0.524 -4.011 16.731 1.00 0.00 C ATOM 138 O ALA A 12 -0.002 -4.783 15.931 1.00 0.00 O ATOM 139 CB ALA A 12 2.784 -3.032 16.099 1.00 0.00 C ATOM 0 H ALA A 12 2.223 -5.777 15.796 1.00 0.00 H new ATOM 0 HA ALA A 12 2.215 -3.781 18.007 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.411 -2.030 16.309 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.850 -3.077 16.324 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.625 -3.265 15.046 1.00 0.00 H new ATOM 145 N ALA A 13 -0.132 -3.107 17.443 1.00 0.00 N ATOM 146 CA ALA A 13 -1.572 -2.960 17.323 1.00 0.00 C ATOM 147 C ALA A 13 -1.905 -1.508 16.973 1.00 0.00 C ATOM 148 O ALA A 13 -1.740 -0.613 17.801 1.00 0.00 O ATOM 149 CB ALA A 13 -2.242 -3.415 18.621 1.00 0.00 C ATOM 0 H ALA A 13 0.308 -2.468 18.106 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.956 -3.589 16.520 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.323 -3.305 18.531 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.999 -4.461 18.809 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.883 -2.804 19.449 1.00 0.00 H new ATOM 155 N SER A 14 -2.368 -1.320 15.746 1.00 0.00 N ATOM 156 CA SER A 14 -2.726 0.008 15.277 1.00 0.00 C ATOM 157 C SER A 14 -3.986 -0.064 14.413 1.00 0.00 C ATOM 158 O SER A 14 -4.312 -1.119 13.872 1.00 0.00 O ATOM 159 CB SER A 14 -1.577 0.642 14.490 1.00 0.00 C ATOM 160 OG SER A 14 -1.225 1.925 14.999 1.00 0.00 O ATOM 0 H SER A 14 -2.503 -2.065 15.062 1.00 0.00 H new ATOM 0 HA SER A 14 -2.925 0.636 16.146 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.707 -0.014 14.527 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.863 0.734 13.442 1.00 0.00 H new ATOM 0 HG SER A 14 -0.487 2.295 14.471 1.00 0.00 H new ATOM 166 N SER A 15 -4.660 1.072 14.309 1.00 0.00 N ATOM 167 CA SER A 15 -5.877 1.151 13.520 1.00 0.00 C ATOM 168 C SER A 15 -5.609 0.664 12.094 1.00 0.00 C ATOM 169 O SER A 15 -4.544 0.924 11.536 1.00 0.00 O ATOM 170 CB SER A 15 -6.428 2.578 13.498 1.00 0.00 C ATOM 171 OG SER A 15 -5.514 3.494 12.901 1.00 0.00 O ATOM 0 H SER A 15 -4.386 1.946 14.758 1.00 0.00 H new ATOM 0 HA SER A 15 -6.626 0.508 13.982 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.369 2.595 12.948 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.648 2.897 14.517 1.00 0.00 H new ATOM 0 HG SER A 15 -5.828 4.411 13.046 1.00 0.00 H new ATOM 177 N VAL A 16 -6.592 -0.035 11.547 1.00 0.00 N ATOM 178 CA VAL A 16 -6.476 -0.561 10.197 1.00 0.00 C ATOM 179 C VAL A 16 -7.717 -0.169 9.393 1.00 0.00 C ATOM 180 O VAL A 16 -8.822 -0.130 9.930 1.00 0.00 O ATOM 181 CB VAL A 16 -6.246 -2.073 10.243 1.00 0.00 C ATOM 182 CG1 VAL A 16 -6.177 -2.660 8.832 1.00 0.00 C ATOM 183 CG2 VAL A 16 -4.984 -2.412 11.040 1.00 0.00 C ATOM 0 H VAL A 16 -7.473 -0.250 12.014 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.612 -0.129 9.692 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.096 -2.526 10.753 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.013 -3.736 8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.114 -2.465 8.311 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.355 -2.198 8.286 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.844 -3.493 11.057 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.120 -1.941 10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.088 -2.043 12.060 1.00 0.00 H new ATOM 193 N LEU A 17 -7.492 0.111 8.117 1.00 0.00 N ATOM 194 CA LEU A 17 -8.578 0.498 7.233 1.00 0.00 C ATOM 195 C LEU A 17 -9.060 -0.729 6.457 1.00 0.00 C ATOM 196 O LEU A 17 -8.251 -1.505 5.951 1.00 0.00 O ATOM 197 CB LEU A 17 -8.151 1.663 6.338 1.00 0.00 C ATOM 198 CG LEU A 17 -8.124 3.042 7.000 1.00 0.00 C ATOM 199 CD1 LEU A 17 -7.566 4.098 6.044 1.00 0.00 C ATOM 200 CD2 LEU A 17 -9.507 3.423 7.531 1.00 0.00 C ATOM 0 H LEU A 17 -6.573 0.077 7.675 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.427 0.864 7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.156 1.450 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.826 1.705 5.483 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.452 2.996 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.558 5.069 6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.550 3.828 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.193 4.150 5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.459 4.407 7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.220 3.445 6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.829 2.688 8.269 1.00 0.00 H new ATOM 212 N GLU A 18 -10.376 -0.866 6.388 1.00 0.00 N ATOM 213 CA GLU A 18 -10.976 -1.985 5.682 1.00 0.00 C ATOM 214 C GLU A 18 -11.293 -1.593 4.237 1.00 0.00 C ATOM 215 O GLU A 18 -12.085 -0.683 3.997 1.00 0.00 O ATOM 216 CB GLU A 18 -12.231 -2.480 6.404 1.00 0.00 C ATOM 217 CG GLU A 18 -13.401 -1.518 6.192 1.00 0.00 C ATOM 218 CD GLU A 18 -14.554 -1.839 7.145 1.00 0.00 C ATOM 219 OE1 GLU A 18 -15.073 -2.972 7.046 1.00 0.00 O ATOM 220 OE2 GLU A 18 -14.891 -0.944 7.950 1.00 0.00 O ATOM 0 H GLU A 18 -11.044 -0.220 6.810 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.259 -2.806 5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.499 -3.471 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.026 -2.580 7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.067 -0.493 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.748 -1.583 5.161 1.00 0.00 H new ATOM 227 N LEU A 19 -10.659 -2.300 3.313 1.00 0.00 N ATOM 228 CA LEU A 19 -10.864 -2.037 1.899 1.00 0.00 C ATOM 229 C LEU A 19 -12.356 -2.137 1.577 1.00 0.00 C ATOM 230 O LEU A 19 -13.145 -2.588 2.406 1.00 0.00 O ATOM 231 CB LEU A 19 -9.989 -2.961 1.050 1.00 0.00 C ATOM 232 CG LEU A 19 -8.488 -2.665 1.066 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.186 -1.326 0.390 1.00 0.00 C ATOM 234 CD2 LEU A 19 -7.932 -2.726 2.490 1.00 0.00 C ATOM 0 H LEU A 19 -10.003 -3.054 3.516 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.551 -1.023 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.141 -3.986 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.338 -2.912 0.018 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.981 -3.439 0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.112 -1.140 0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.525 -1.357 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.705 -0.526 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.863 -2.512 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.440 -1.988 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.096 -3.722 2.902 1.00 0.00 H new ATOM 246 N THR A 20 -12.699 -1.708 0.371 1.00 0.00 N ATOM 247 CA THR A 20 -14.083 -1.744 -0.071 1.00 0.00 C ATOM 248 C THR A 20 -14.153 -1.848 -1.596 1.00 0.00 C ATOM 249 O THR A 20 -13.164 -1.603 -2.285 1.00 0.00 O ATOM 250 CB THR A 20 -14.789 -0.507 0.487 1.00 0.00 C ATOM 251 OG1 THR A 20 -14.569 0.495 -0.502 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.101 0.046 1.737 1.00 0.00 C ATOM 0 H THR A 20 -12.042 -1.334 -0.314 1.00 0.00 H new ATOM 0 HA THR A 20 -14.597 -2.628 0.307 1.00 0.00 H new ATOM 0 HB THR A 20 -15.824 -0.756 0.722 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.995 1.331 -0.221 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.642 0.923 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.094 -0.716 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 20 -13.076 0.326 1.494 1.00 0.00 H new ATOM 260 N GLU A 21 -15.333 -2.210 -2.078 1.00 0.00 N ATOM 261 CA GLU A 21 -15.545 -2.350 -3.509 1.00 0.00 C ATOM 262 C GLU A 21 -14.716 -1.315 -4.272 1.00 0.00 C ATOM 263 O GLU A 21 -14.056 -1.646 -5.256 1.00 0.00 O ATOM 264 CB GLU A 21 -17.030 -2.227 -3.857 1.00 0.00 C ATOM 265 CG GLU A 21 -17.415 -3.204 -4.970 1.00 0.00 C ATOM 266 CD GLU A 21 -18.393 -2.558 -5.953 1.00 0.00 C ATOM 267 OE1 GLU A 21 -18.218 -1.348 -6.215 1.00 0.00 O ATOM 268 OE2 GLU A 21 -19.293 -3.288 -6.421 1.00 0.00 O ATOM 0 H GLU A 21 -16.152 -2.410 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.215 -3.344 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.633 -2.424 -2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.250 -1.207 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.520 -3.526 -5.501 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -17.866 -4.096 -4.536 1.00 0.00 H new ATOM 275 N ALA A 22 -14.777 -0.082 -3.789 1.00 0.00 N ATOM 276 CA ALA A 22 -14.040 1.003 -4.414 1.00 0.00 C ATOM 277 C ALA A 22 -12.542 0.797 -4.179 1.00 0.00 C ATOM 278 O ALA A 22 -11.796 0.514 -5.116 1.00 0.00 O ATOM 279 CB ALA A 22 -14.538 2.341 -3.863 1.00 0.00 C ATOM 0 H ALA A 22 -15.325 0.189 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.207 1.011 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.986 3.156 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.600 2.451 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.383 2.371 -2.784 1.00 0.00 H new ATOM 285 N GLU A 23 -12.145 0.948 -2.924 1.00 0.00 N ATOM 286 CA GLU A 23 -10.750 0.782 -2.555 1.00 0.00 C ATOM 287 C GLU A 23 -10.164 -0.456 -3.237 1.00 0.00 C ATOM 288 O GLU A 23 -9.116 -0.379 -3.876 1.00 0.00 O ATOM 289 CB GLU A 23 -10.591 0.698 -1.035 1.00 0.00 C ATOM 290 CG GLU A 23 -10.183 2.052 -0.451 1.00 0.00 C ATOM 291 CD GLU A 23 -10.768 2.244 0.950 1.00 0.00 C ATOM 292 OE1 GLU A 23 -10.611 1.307 1.763 1.00 0.00 O ATOM 293 OE2 GLU A 23 -11.359 3.322 1.176 1.00 0.00 O ATOM 0 H GLU A 23 -12.766 1.184 -2.150 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.197 1.657 -2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.529 0.372 -0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.840 -0.051 -0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.096 2.121 -0.408 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.527 2.853 -1.105 1.00 0.00 H new ATOM 300 N LEU A 24 -10.866 -1.568 -3.077 1.00 0.00 N ATOM 301 CA LEU A 24 -10.428 -2.821 -3.669 1.00 0.00 C ATOM 302 C LEU A 24 -9.875 -2.552 -5.070 1.00 0.00 C ATOM 303 O LEU A 24 -8.737 -2.910 -5.371 1.00 0.00 O ATOM 304 CB LEU A 24 -11.560 -3.850 -3.643 1.00 0.00 C ATOM 305 CG LEU A 24 -11.622 -4.747 -2.405 1.00 0.00 C ATOM 306 CD1 LEU A 24 -12.182 -3.984 -1.203 1.00 0.00 C ATOM 307 CD2 LEU A 24 -12.413 -6.025 -2.692 1.00 0.00 C ATOM 0 H LEU A 24 -11.735 -1.628 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.618 -3.256 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.508 -3.320 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.467 -4.486 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.606 -5.048 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.216 -4.644 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.541 -3.130 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.189 -3.634 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.441 -6.644 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.430 -5.765 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.932 -6.577 -3.499 1.00 0.00 H new ATOM 319 N VAL A 25 -10.705 -1.922 -5.889 1.00 0.00 N ATOM 320 CA VAL A 25 -10.312 -1.601 -7.251 1.00 0.00 C ATOM 321 C VAL A 25 -8.909 -0.991 -7.242 1.00 0.00 C ATOM 322 O VAL A 25 -8.074 -1.336 -8.076 1.00 0.00 O ATOM 323 CB VAL A 25 -11.357 -0.687 -7.895 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.883 -0.191 -9.262 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.709 -1.395 -8.007 1.00 0.00 C ATOM 0 H VAL A 25 -11.647 -1.625 -5.636 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.270 -2.504 -7.860 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.486 0.182 -7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.644 0.456 -9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.955 0.368 -9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.712 -1.044 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.434 -0.724 -8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.602 -2.290 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.056 -1.676 -7.013 1.00 0.00 H new ATOM 335 N THR A 26 -8.694 -0.095 -6.290 1.00 0.00 N ATOM 336 CA THR A 26 -7.406 0.566 -6.162 1.00 0.00 C ATOM 337 C THR A 26 -6.384 -0.377 -5.523 1.00 0.00 C ATOM 338 O THR A 26 -5.234 -0.438 -5.956 1.00 0.00 O ATOM 339 CB THR A 26 -7.615 1.860 -5.373 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.107 2.781 -6.342 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.297 2.479 -4.904 1.00 0.00 C ATOM 0 H THR A 26 -9.390 0.189 -5.600 1.00 0.00 H new ATOM 0 HA THR A 26 -6.996 0.826 -7.138 1.00 0.00 H new ATOM 0 HB THR A 26 -8.249 1.661 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.272 3.648 -5.915 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.502 3.395 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.773 1.774 -4.259 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.675 2.710 -5.769 1.00 0.00 H new ATOM 349 N ALA A 27 -6.840 -1.089 -4.503 1.00 0.00 N ATOM 350 CA ALA A 27 -5.980 -2.025 -3.800 1.00 0.00 C ATOM 351 C ALA A 27 -5.532 -3.124 -4.766 1.00 0.00 C ATOM 352 O ALA A 27 -4.515 -3.778 -4.540 1.00 0.00 O ATOM 353 CB ALA A 27 -6.720 -2.585 -2.584 1.00 0.00 C ATOM 0 H ALA A 27 -7.794 -1.036 -4.147 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.085 -1.522 -3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.074 -3.287 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.991 -1.768 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.623 -3.099 -2.913 1.00 0.00 H new ATOM 359 N GLU A 28 -6.313 -3.292 -5.823 1.00 0.00 N ATOM 360 CA GLU A 28 -6.009 -4.300 -6.825 1.00 0.00 C ATOM 361 C GLU A 28 -5.032 -3.741 -7.861 1.00 0.00 C ATOM 362 O GLU A 28 -4.141 -4.450 -8.325 1.00 0.00 O ATOM 363 CB GLU A 28 -7.287 -4.810 -7.495 1.00 0.00 C ATOM 364 CG GLU A 28 -7.906 -5.956 -6.693 1.00 0.00 C ATOM 365 CD GLU A 28 -7.558 -7.310 -7.315 1.00 0.00 C ATOM 366 OE1 GLU A 28 -7.823 -7.463 -8.527 1.00 0.00 O ATOM 367 OE2 GLU A 28 -7.036 -8.162 -6.564 1.00 0.00 O ATOM 0 H GLU A 28 -7.155 -2.747 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.536 -5.147 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.005 -3.995 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.061 -5.149 -8.506 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.546 -5.921 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.989 -5.836 -6.656 1.00 0.00 H new ATOM 374 N ALA A 29 -5.233 -2.474 -8.194 1.00 0.00 N ATOM 375 CA ALA A 29 -4.382 -1.812 -9.167 1.00 0.00 C ATOM 376 C ALA A 29 -2.948 -1.766 -8.636 1.00 0.00 C ATOM 377 O ALA A 29 -1.995 -1.944 -9.394 1.00 0.00 O ATOM 378 CB ALA A 29 -4.937 -0.418 -9.467 1.00 0.00 C ATOM 0 H ALA A 29 -5.973 -1.889 -7.807 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.369 -2.367 -10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.298 0.079 -10.197 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.946 -0.507 -9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.963 0.169 -8.549 1.00 0.00 H new ATOM 384 N VAL A 30 -2.839 -1.526 -7.338 1.00 0.00 N ATOM 385 CA VAL A 30 -1.537 -1.454 -6.696 1.00 0.00 C ATOM 386 C VAL A 30 -0.890 -2.841 -6.711 1.00 0.00 C ATOM 387 O VAL A 30 0.298 -2.972 -7.001 1.00 0.00 O ATOM 388 CB VAL A 30 -1.679 -0.876 -5.287 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.370 -1.006 -4.506 1.00 0.00 C ATOM 390 CG2 VAL A 30 -2.145 0.581 -5.337 1.00 0.00 C ATOM 0 H VAL A 30 -3.631 -1.379 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.877 -0.781 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.440 -1.454 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.499 -0.587 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.097 -2.058 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.420 -0.465 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.238 0.968 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.417 1.177 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.112 0.637 -5.837 1.00 0.00 H new ATOM 400 N ARG A 31 -1.699 -3.840 -6.393 1.00 0.00 N ATOM 401 CA ARG A 31 -1.220 -5.212 -6.366 1.00 0.00 C ATOM 402 C ARG A 31 -0.559 -5.570 -7.699 1.00 0.00 C ATOM 403 O ARG A 31 0.456 -6.263 -7.726 1.00 0.00 O ATOM 404 CB ARG A 31 -2.364 -6.190 -6.093 1.00 0.00 C ATOM 405 CG ARG A 31 -1.826 -7.571 -5.714 1.00 0.00 C ATOM 406 CD ARG A 31 -2.841 -8.341 -4.866 1.00 0.00 C ATOM 407 NE ARG A 31 -3.588 -9.297 -5.714 1.00 0.00 N ATOM 408 CZ ARG A 31 -3.191 -10.553 -5.959 1.00 0.00 C ATOM 409 NH1 ARG A 31 -2.052 -11.012 -5.423 1.00 0.00 N ATOM 410 NH2 ARG A 31 -3.932 -11.350 -6.741 1.00 0.00 N ATOM 0 H ARG A 31 -2.684 -3.727 -6.152 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.489 -5.292 -5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.991 -5.806 -5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.996 -6.272 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.598 -8.137 -6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.893 -7.463 -5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.328 -8.875 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.533 -7.645 -4.392 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.460 -8.980 -6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.487 -10.405 -4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.750 -11.968 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.799 -11.001 -7.150 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.629 -12.306 -6.927 1.00 0.00 H new ATOM 424 N SER A 32 -1.162 -5.080 -8.772 1.00 0.00 N ATOM 425 CA SER A 32 -0.645 -5.339 -10.105 1.00 0.00 C ATOM 426 C SER A 32 0.733 -4.695 -10.266 1.00 0.00 C ATOM 427 O SER A 32 1.583 -5.212 -10.990 1.00 0.00 O ATOM 428 CB SER A 32 -1.603 -4.819 -11.179 1.00 0.00 C ATOM 429 OG SER A 32 -1.228 -5.251 -12.484 1.00 0.00 O ATOM 0 H SER A 32 -2.004 -4.505 -8.745 1.00 0.00 H new ATOM 0 HA SER A 32 -0.552 -6.418 -10.232 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.614 -5.163 -10.960 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.623 -3.730 -11.150 1.00 0.00 H new ATOM 0 HG SER A 32 -1.865 -4.900 -13.141 1.00 0.00 H new ATOM 435 N VAL A 33 0.912 -3.576 -9.579 1.00 0.00 N ATOM 436 CA VAL A 33 2.173 -2.856 -9.637 1.00 0.00 C ATOM 437 C VAL A 33 3.288 -3.743 -9.079 1.00 0.00 C ATOM 438 O VAL A 33 4.354 -3.859 -9.682 1.00 0.00 O ATOM 439 CB VAL A 33 2.047 -1.521 -8.902 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.339 -0.709 -9.015 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.849 -0.721 -9.419 1.00 0.00 C ATOM 0 H VAL A 33 0.205 -3.150 -8.979 1.00 0.00 H new ATOM 0 HA VAL A 33 2.431 -2.620 -10.669 1.00 0.00 H new ATOM 0 HB VAL A 33 1.877 -1.734 -7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.223 0.236 -8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.163 -1.273 -8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.553 -0.511 -10.065 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.782 0.224 -8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.976 -0.523 -10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.065 -1.293 -9.263 1.00 0.00 H new ATOM 451 N TRP A 34 3.003 -4.347 -7.935 1.00 0.00 N ATOM 452 CA TRP A 34 3.969 -5.220 -7.289 1.00 0.00 C ATOM 453 C TRP A 34 4.235 -6.403 -8.221 1.00 0.00 C ATOM 454 O TRP A 34 5.383 -6.680 -8.566 1.00 0.00 O ATOM 455 CB TRP A 34 3.480 -5.648 -5.904 1.00 0.00 C ATOM 456 CG TRP A 34 3.385 -4.502 -4.895 1.00 0.00 C ATOM 457 CD1 TRP A 34 2.941 -3.255 -5.102 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.762 -4.549 -3.503 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.005 -2.497 -3.951 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.520 -3.309 -2.947 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.291 -5.604 -2.738 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.776 -3.008 -1.604 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.542 -5.286 -1.398 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.303 -4.044 -0.823 1.00 0.00 C ATOM 0 H TRP A 34 2.117 -4.249 -7.439 1.00 0.00 H new ATOM 0 HA TRP A 34 4.909 -4.695 -7.117 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.499 -6.112 -6.004 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.154 -6.409 -5.511 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.578 -2.889 -6.051 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.726 -1.521 -3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.488 -6.582 -3.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.578 -2.029 -1.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.950 -6.061 -0.766 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.523 -3.878 0.221 1.00 0.00 H new ATOM 475 N GLN A 35 3.155 -7.068 -8.604 1.00 0.00 N ATOM 476 CA GLN A 35 3.257 -8.215 -9.490 1.00 0.00 C ATOM 477 C GLN A 35 4.055 -7.848 -10.743 1.00 0.00 C ATOM 478 O GLN A 35 5.067 -8.479 -11.046 1.00 0.00 O ATOM 479 CB GLN A 35 1.872 -8.748 -9.859 1.00 0.00 C ATOM 480 CG GLN A 35 1.360 -9.725 -8.798 1.00 0.00 C ATOM 481 CD GLN A 35 1.857 -11.145 -9.075 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.970 -11.466 -8.422 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 1.268 -11.900 -9.832 1.00 0.00 N flip ATOM 0 H GLN A 35 2.205 -6.834 -8.317 1.00 0.00 H new ATOM 0 HA GLN A 35 3.787 -9.009 -8.965 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.174 -7.917 -9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.916 -9.247 -10.827 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.695 -9.405 -7.812 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.270 -9.714 -8.784 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.418 -11.590 -10.302 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.626 -12.841 -9.994 1.00 0.00 H new ATOM 492 N ARG A 36 3.570 -6.830 -11.437 1.00 0.00 N ATOM 493 CA ARG A 36 4.225 -6.371 -12.651 1.00 0.00 C ATOM 494 C ARG A 36 5.719 -6.160 -12.400 1.00 0.00 C ATOM 495 O ARG A 36 6.552 -6.568 -13.208 1.00 0.00 O ATOM 496 CB ARG A 36 3.609 -5.062 -13.149 1.00 0.00 C ATOM 497 CG ARG A 36 2.380 -5.331 -14.020 1.00 0.00 C ATOM 498 CD ARG A 36 2.193 -4.226 -15.060 1.00 0.00 C ATOM 499 NE ARG A 36 2.091 -4.816 -16.414 1.00 0.00 N ATOM 500 CZ ARG A 36 1.678 -4.145 -17.497 1.00 0.00 C ATOM 501 NH1 ARG A 36 1.324 -2.856 -17.393 1.00 0.00 N ATOM 502 NH2 ARG A 36 1.617 -4.762 -18.685 1.00 0.00 N ATOM 0 H ARG A 36 2.731 -6.309 -11.182 1.00 0.00 H new ATOM 0 HA ARG A 36 4.085 -7.138 -13.413 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.327 -4.442 -12.298 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.349 -4.502 -13.721 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.489 -6.293 -14.521 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.492 -5.398 -13.391 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.294 -3.653 -14.836 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.032 -3.531 -15.019 1.00 0.00 H new ATOM 0 HE ARG A 36 2.352 -5.795 -16.529 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.369 -2.386 -16.489 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.010 -2.345 -18.218 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.885 -5.743 -18.765 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.302 -4.251 -19.510 1.00 0.00 H new ATOM 516 N ILE A 37 6.014 -5.523 -11.276 1.00 0.00 N ATOM 517 CA ILE A 37 7.393 -5.252 -10.908 1.00 0.00 C ATOM 518 C ILE A 37 8.095 -6.570 -10.574 1.00 0.00 C ATOM 519 O ILE A 37 8.934 -7.043 -11.341 1.00 0.00 O ATOM 520 CB ILE A 37 7.455 -4.220 -9.781 1.00 0.00 C ATOM 521 CG1 ILE A 37 7.089 -2.825 -10.294 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.822 -4.238 -9.095 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.205 -1.784 -9.179 1.00 0.00 C ATOM 0 H ILE A 37 5.321 -5.187 -10.608 1.00 0.00 H new ATOM 0 HA ILE A 37 7.930 -4.807 -11.746 1.00 0.00 H new ATOM 0 HB ILE A 37 6.714 -4.491 -9.029 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.746 -2.553 -11.120 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.072 -2.833 -10.685 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.839 -3.495 -8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.005 -5.226 -8.674 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.598 -4.006 -9.824 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.940 -0.802 -9.569 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.529 -2.046 -8.365 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.229 -1.762 -8.807 1.00 0.00 H new ATOM 535 N LEU A 38 7.727 -7.127 -9.430 1.00 0.00 N ATOM 536 CA LEU A 38 8.310 -8.381 -8.985 1.00 0.00 C ATOM 537 C LEU A 38 7.918 -9.494 -9.958 1.00 0.00 C ATOM 538 O LEU A 38 6.749 -9.867 -10.041 1.00 0.00 O ATOM 539 CB LEU A 38 7.922 -8.667 -7.533 1.00 0.00 C ATOM 540 CG LEU A 38 8.279 -7.582 -6.516 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.295 -7.582 -5.345 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.729 -7.725 -6.048 1.00 0.00 C ATOM 0 H LEU A 38 7.031 -6.732 -8.797 1.00 0.00 H new ATOM 0 HA LEU A 38 9.398 -8.320 -8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.846 -8.835 -7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.402 -9.596 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 38 8.194 -6.612 -7.007 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.572 -6.801 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.288 -7.394 -5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.323 -8.551 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.957 -6.941 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.866 -8.700 -5.581 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.398 -7.635 -6.904 1.00 0.00 H new ATOM 554 N PRO A 39 8.944 -10.007 -10.689 1.00 0.00 N ATOM 555 CA PRO A 39 8.718 -11.071 -11.653 1.00 0.00 C ATOM 556 C PRO A 39 8.503 -12.412 -10.949 1.00 0.00 C ATOM 557 O PRO A 39 7.393 -12.943 -10.943 1.00 0.00 O ATOM 558 CB PRO A 39 9.947 -11.060 -12.546 1.00 0.00 C ATOM 559 CG PRO A 39 11.018 -10.309 -11.772 1.00 0.00 C ATOM 560 CD PRO A 39 10.341 -9.590 -10.617 1.00 0.00 C ATOM 0 HA PRO A 39 7.813 -10.920 -12.241 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.271 -12.075 -12.777 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.735 -10.569 -13.496 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.775 -10.999 -11.400 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.527 -9.596 -12.420 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.788 -9.866 -9.662 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.437 -8.508 -10.713 1.00 0.00 H new ATOM 568 N LYS A 40 9.581 -12.921 -10.372 1.00 0.00 N ATOM 569 CA LYS A 40 9.524 -14.191 -9.667 1.00 0.00 C ATOM 570 C LYS A 40 8.211 -14.278 -8.887 1.00 0.00 C ATOM 571 O LYS A 40 7.558 -15.320 -8.878 1.00 0.00 O ATOM 572 CB LYS A 40 10.769 -14.377 -8.797 1.00 0.00 C ATOM 573 CG LYS A 40 12.021 -14.548 -9.661 1.00 0.00 C ATOM 574 CD LYS A 40 12.954 -13.345 -9.518 1.00 0.00 C ATOM 575 CE LYS A 40 13.856 -13.492 -8.291 1.00 0.00 C ATOM 576 NZ LYS A 40 13.816 -12.263 -7.467 1.00 0.00 N ATOM 0 H LYS A 40 10.499 -12.477 -10.378 1.00 0.00 H new ATOM 0 HA LYS A 40 9.531 -15.020 -10.375 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.891 -13.515 -8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.643 -15.250 -8.157 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.547 -15.457 -9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.733 -14.667 -10.705 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.567 -13.247 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.365 -12.432 -9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.534 -14.346 -7.696 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.880 -13.692 -8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.434 -12.380 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.145 -11.455 -8.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.841 -12.089 -7.150 1.00 0.00 H new ATOM 590 N VAL A 41 7.862 -13.168 -8.253 1.00 0.00 N ATOM 591 CA VAL A 41 6.638 -13.106 -7.472 1.00 0.00 C ATOM 592 C VAL A 41 5.448 -13.449 -8.370 1.00 0.00 C ATOM 593 O VAL A 41 5.139 -12.713 -9.306 1.00 0.00 O ATOM 594 CB VAL A 41 6.510 -11.733 -6.808 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.154 -11.583 -6.117 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.657 -11.491 -5.824 1.00 0.00 C ATOM 0 H VAL A 41 8.405 -12.305 -8.264 1.00 0.00 H new ATOM 0 HA VAL A 41 6.660 -13.841 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 41 6.573 -10.975 -7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.089 -10.599 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.357 -11.691 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.048 -12.352 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.542 -10.509 -5.366 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.639 -12.257 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.608 -11.535 -6.355 1.00 0.00 H new ATOM 606 N LEU A 42 4.811 -14.567 -8.053 1.00 0.00 N ATOM 607 CA LEU A 42 3.661 -15.016 -8.820 1.00 0.00 C ATOM 608 C LEU A 42 2.383 -14.469 -8.181 1.00 0.00 C ATOM 609 O LEU A 42 1.413 -14.176 -8.879 1.00 0.00 O ATOM 610 CB LEU A 42 3.674 -16.539 -8.962 1.00 0.00 C ATOM 611 CG LEU A 42 4.820 -17.126 -9.789 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.756 -17.961 -8.914 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.284 -17.924 -10.979 1.00 0.00 C ATOM 0 H LEU A 42 5.069 -15.175 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 42 3.703 -14.624 -9.836 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.711 -16.977 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.731 -16.850 -9.412 1.00 0.00 H new ATOM 0 HG LEU A 42 5.407 -16.301 -10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.561 -18.366 -9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.178 -17.333 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.197 -18.780 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.119 -18.330 -11.550 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.660 -18.741 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.691 -17.270 -11.618 1.00 0.00 H new ATOM 625 N GLU A 43 2.423 -14.347 -6.863 1.00 0.00 N ATOM 626 CA GLU A 43 1.280 -13.841 -6.123 1.00 0.00 C ATOM 627 C GLU A 43 1.736 -12.835 -5.064 1.00 0.00 C ATOM 628 O GLU A 43 2.766 -13.031 -4.420 1.00 0.00 O ATOM 629 CB GLU A 43 0.488 -14.985 -5.487 1.00 0.00 C ATOM 630 CG GLU A 43 -0.601 -14.446 -4.555 1.00 0.00 C ATOM 631 CD GLU A 43 -1.947 -15.114 -4.842 1.00 0.00 C ATOM 632 OE1 GLU A 43 -2.393 -15.015 -6.006 1.00 0.00 O ATOM 633 OE2 GLU A 43 -2.500 -15.708 -3.891 1.00 0.00 O ATOM 0 H GLU A 43 3.230 -14.590 -6.288 1.00 0.00 H new ATOM 0 HA GLU A 43 0.618 -13.329 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.034 -15.596 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.163 -15.632 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.317 -14.623 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.692 -13.367 -4.681 1.00 0.00 H new ATOM 640 N VAL A 44 0.948 -11.780 -4.917 1.00 0.00 N ATOM 641 CA VAL A 44 1.259 -10.743 -3.947 1.00 0.00 C ATOM 642 C VAL A 44 0.187 -10.734 -2.856 1.00 0.00 C ATOM 643 O VAL A 44 -0.936 -10.289 -3.087 1.00 0.00 O ATOM 644 CB VAL A 44 1.405 -9.394 -4.653 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.076 -8.240 -3.703 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.806 -9.234 -5.246 1.00 0.00 C ATOM 0 H VAL A 44 0.095 -11.621 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 44 2.214 -10.946 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 44 0.689 -9.366 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.188 -7.292 -4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.050 -8.341 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.756 -8.264 -2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.883 -8.266 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.547 -9.293 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.988 -10.028 -5.970 1.00 0.00 H new ATOM 656 N GLU A 45 0.571 -11.232 -1.689 1.00 0.00 N ATOM 657 CA GLU A 45 -0.343 -11.287 -0.561 1.00 0.00 C ATOM 658 C GLU A 45 -0.076 -10.124 0.396 1.00 0.00 C ATOM 659 O GLU A 45 0.711 -9.229 0.087 1.00 0.00 O ATOM 660 CB GLU A 45 -0.239 -12.629 0.164 1.00 0.00 C ATOM 661 CG GLU A 45 1.195 -12.891 0.629 1.00 0.00 C ATOM 662 CD GLU A 45 1.791 -14.104 -0.089 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.712 -14.122 -1.336 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.313 -14.987 0.627 1.00 0.00 O ATOM 0 H GLU A 45 1.503 -11.601 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.361 -11.194 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.910 -12.636 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.562 -13.431 -0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.810 -12.012 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.207 -13.059 1.706 1.00 0.00 H new ATOM 671 N ASP A 46 -0.745 -10.174 1.538 1.00 0.00 N ATOM 672 CA ASP A 46 -0.589 -9.135 2.543 1.00 0.00 C ATOM 673 C ASP A 46 0.692 -9.391 3.340 1.00 0.00 C ATOM 674 O ASP A 46 1.147 -8.524 4.085 1.00 0.00 O ATOM 675 CB ASP A 46 -1.764 -9.136 3.523 1.00 0.00 C ATOM 676 CG ASP A 46 -2.723 -7.953 3.383 1.00 0.00 C ATOM 677 OD1 ASP A 46 -2.894 -7.494 2.233 1.00 0.00 O ATOM 678 OD2 ASP A 46 -3.265 -7.534 4.429 1.00 0.00 O ATOM 0 H ASP A 46 -1.396 -10.917 1.790 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.547 -8.174 2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.328 -10.059 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.370 -9.147 4.539 1.00 0.00 H new ATOM 683 N SER A 47 1.237 -10.584 3.156 1.00 0.00 N ATOM 684 CA SER A 47 2.457 -10.965 3.848 1.00 0.00 C ATOM 685 C SER A 47 3.655 -10.839 2.906 1.00 0.00 C ATOM 686 O SER A 47 4.794 -11.063 3.311 1.00 0.00 O ATOM 687 CB SER A 47 2.358 -12.390 4.394 1.00 0.00 C ATOM 688 OG SER A 47 1.458 -12.479 5.496 1.00 0.00 O ATOM 0 H SER A 47 0.856 -11.300 2.537 1.00 0.00 H new ATOM 0 HA SER A 47 2.596 -10.290 4.693 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.027 -13.060 3.601 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.346 -12.728 4.705 1.00 0.00 H new ATOM 0 HG SER A 47 1.422 -13.405 5.815 1.00 0.00 H new ATOM 694 N THR A 48 3.357 -10.481 1.665 1.00 0.00 N ATOM 695 CA THR A 48 4.396 -10.323 0.662 1.00 0.00 C ATOM 696 C THR A 48 5.190 -9.040 0.914 1.00 0.00 C ATOM 697 O THR A 48 4.642 -7.941 0.836 1.00 0.00 O ATOM 698 CB THR A 48 3.732 -10.367 -0.716 1.00 0.00 C ATOM 699 OG1 THR A 48 4.026 -11.674 -1.202 1.00 0.00 O ATOM 700 CG2 THR A 48 4.410 -9.434 -1.722 1.00 0.00 C ATOM 0 H THR A 48 2.411 -10.296 1.332 1.00 0.00 H new ATOM 0 HA THR A 48 5.124 -11.133 0.714 1.00 0.00 H new ATOM 0 HB THR A 48 2.680 -10.096 -0.621 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.773 -11.736 -2.147 1.00 0.00 H new ATOM 0 HG21 THR A 48 3.900 -9.503 -2.683 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.360 -8.408 -1.358 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.453 -9.725 -1.843 1.00 0.00 H new ATOM 708 N ASP A 49 6.468 -9.222 1.210 1.00 0.00 N ATOM 709 CA ASP A 49 7.343 -8.092 1.473 1.00 0.00 C ATOM 710 C ASP A 49 7.913 -7.575 0.151 1.00 0.00 C ATOM 711 O ASP A 49 8.528 -8.329 -0.601 1.00 0.00 O ATOM 712 CB ASP A 49 8.516 -8.501 2.366 1.00 0.00 C ATOM 713 CG ASP A 49 9.044 -7.398 3.286 1.00 0.00 C ATOM 714 OD1 ASP A 49 9.861 -6.590 2.793 1.00 0.00 O ATOM 715 OD2 ASP A 49 8.618 -7.387 4.461 1.00 0.00 O ATOM 0 H ASP A 49 6.919 -10.135 1.274 1.00 0.00 H new ATOM 0 HA ASP A 49 6.758 -7.322 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.208 -9.348 2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.333 -8.846 1.732 1.00 0.00 H new ATOM 720 N PHE A 50 7.689 -6.292 -0.091 1.00 0.00 N ATOM 721 CA PHE A 50 8.173 -5.664 -1.310 1.00 0.00 C ATOM 722 C PHE A 50 9.671 -5.913 -1.497 1.00 0.00 C ATOM 723 O PHE A 50 10.180 -5.845 -2.615 1.00 0.00 O ATOM 724 CB PHE A 50 7.932 -4.161 -1.165 1.00 0.00 C ATOM 725 CG PHE A 50 8.227 -3.358 -2.433 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.594 -3.667 -3.596 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.124 -2.336 -2.398 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.868 -2.922 -4.774 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.398 -1.591 -3.575 1.00 0.00 C ATOM 730 CZ PHE A 50 8.765 -1.900 -4.738 1.00 0.00 C ATOM 0 H PHE A 50 7.179 -5.670 0.536 1.00 0.00 H new ATOM 0 HA PHE A 50 7.653 -6.078 -2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.894 -3.996 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.553 -3.781 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.883 -4.479 -3.624 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.628 -2.091 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.365 -3.167 -5.698 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.109 -0.779 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.974 -1.334 -5.634 1.00 0.00 H new ATOM 740 N PHE A 51 10.334 -6.197 -0.386 1.00 0.00 N ATOM 741 CA PHE A 51 11.764 -6.457 -0.414 1.00 0.00 C ATOM 742 C PHE A 51 12.047 -7.951 -0.582 1.00 0.00 C ATOM 743 O PHE A 51 12.595 -8.372 -1.599 1.00 0.00 O ATOM 744 CB PHE A 51 12.329 -5.990 0.929 1.00 0.00 C ATOM 745 CG PHE A 51 12.204 -4.484 1.168 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.624 -3.608 0.216 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.673 -4.022 2.331 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.509 -2.210 0.438 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.557 -2.624 2.553 1.00 0.00 C ATOM 750 CZ PHE A 51 11.978 -1.748 1.601 1.00 0.00 C ATOM 0 H PHE A 51 9.908 -6.253 0.539 1.00 0.00 H new ATOM 0 HA PHE A 51 12.222 -5.932 -1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.814 -6.519 1.731 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.381 -6.270 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 51 13.045 -3.975 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.339 -4.718 3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.843 -1.514 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.135 -2.257 3.477 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.890 -0.685 1.769 1.00 0.00 H new ATOM 760 N LYS A 52 11.659 -8.712 0.432 1.00 0.00 N ATOM 761 CA LYS A 52 11.864 -10.150 0.409 1.00 0.00 C ATOM 762 C LYS A 52 11.593 -10.677 -1.001 1.00 0.00 C ATOM 763 O LYS A 52 12.240 -11.623 -1.449 1.00 0.00 O ATOM 764 CB LYS A 52 11.022 -10.828 1.492 1.00 0.00 C ATOM 765 CG LYS A 52 11.354 -10.268 2.876 1.00 0.00 C ATOM 766 CD LYS A 52 11.094 -11.309 3.966 1.00 0.00 C ATOM 767 CE LYS A 52 9.720 -11.101 4.607 1.00 0.00 C ATOM 768 NZ LYS A 52 9.739 -11.532 6.023 1.00 0.00 N ATOM 0 H LYS A 52 11.204 -8.359 1.274 1.00 0.00 H new ATOM 0 HA LYS A 52 12.900 -10.391 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.963 -10.680 1.280 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.202 -11.903 1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.399 -9.958 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.753 -9.379 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.152 -12.310 3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.869 -11.243 4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.438 -10.050 4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.967 -11.666 4.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.799 -11.384 6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.987 -12.541 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.444 -10.974 6.546 1.00 0.00 H new ATOM 782 N SER A 53 10.636 -10.042 -1.662 1.00 0.00 N ATOM 783 CA SER A 53 10.271 -10.436 -3.012 1.00 0.00 C ATOM 784 C SER A 53 11.490 -10.340 -3.932 1.00 0.00 C ATOM 785 O SER A 53 12.030 -11.359 -4.361 1.00 0.00 O ATOM 786 CB SER A 53 9.131 -9.569 -3.550 1.00 0.00 C ATOM 787 OG SER A 53 7.858 -10.019 -3.096 1.00 0.00 O ATOM 0 H SER A 53 10.102 -9.257 -1.288 1.00 0.00 H new ATOM 0 HA SER A 53 9.924 -11.469 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.283 -8.536 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.151 -9.579 -4.640 1.00 0.00 H new ATOM 0 HG SER A 53 7.670 -9.634 -2.214 1.00 0.00 H new ATOM 793 N GLY A 54 11.888 -9.107 -4.208 1.00 0.00 N ATOM 794 CA GLY A 54 13.033 -8.865 -5.069 1.00 0.00 C ATOM 795 C GLY A 54 12.991 -7.452 -5.654 1.00 0.00 C ATOM 796 O GLY A 54 13.276 -7.256 -6.834 1.00 0.00 O ATOM 0 H GLY A 54 11.438 -8.264 -3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.954 -9.000 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.046 -9.597 -5.877 1.00 0.00 H new ATOM 800 N ALA A 55 12.634 -6.504 -4.800 1.00 0.00 N ATOM 801 CA ALA A 55 12.551 -5.114 -5.217 1.00 0.00 C ATOM 802 C ALA A 55 13.867 -4.408 -4.888 1.00 0.00 C ATOM 803 O ALA A 55 14.365 -4.506 -3.768 1.00 0.00 O ATOM 804 CB ALA A 55 11.348 -4.450 -4.543 1.00 0.00 C ATOM 0 H ALA A 55 12.399 -6.671 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 55 12.401 -5.045 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.285 -3.408 -4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.435 -4.971 -4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.465 -4.498 -3.460 1.00 0.00 H new ATOM 810 N ALA A 56 14.393 -3.712 -5.885 1.00 0.00 N ATOM 811 CA ALA A 56 15.643 -2.989 -5.715 1.00 0.00 C ATOM 812 C ALA A 56 15.353 -1.613 -5.111 1.00 0.00 C ATOM 813 O ALA A 56 14.274 -1.385 -4.568 1.00 0.00 O ATOM 814 CB ALA A 56 16.365 -2.895 -7.061 1.00 0.00 C ATOM 0 H ALA A 56 13.977 -3.633 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 56 16.303 -3.518 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.302 -2.353 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.573 -3.898 -7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.734 -2.367 -7.776 1.00 0.00 H new ATOM 820 N SER A 57 16.337 -0.733 -5.226 1.00 0.00 N ATOM 821 CA SER A 57 16.202 0.614 -4.698 1.00 0.00 C ATOM 822 C SER A 57 15.443 1.492 -5.695 1.00 0.00 C ATOM 823 O SER A 57 14.969 2.571 -5.341 1.00 0.00 O ATOM 824 CB SER A 57 17.570 1.223 -4.387 1.00 0.00 C ATOM 825 OG SER A 57 17.894 1.130 -3.003 1.00 0.00 O ATOM 0 H SER A 57 17.231 -0.927 -5.677 1.00 0.00 H new ATOM 0 HA SER A 57 15.638 0.562 -3.767 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.335 0.714 -4.973 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.579 2.270 -4.692 1.00 0.00 H new ATOM 0 HG SER A 57 18.776 1.528 -2.846 1.00 0.00 H new ATOM 831 N VAL A 58 15.351 0.998 -6.920 1.00 0.00 N ATOM 832 CA VAL A 58 14.658 1.725 -7.970 1.00 0.00 C ATOM 833 C VAL A 58 13.164 1.400 -7.909 1.00 0.00 C ATOM 834 O VAL A 58 12.326 2.267 -8.152 1.00 0.00 O ATOM 835 CB VAL A 58 15.284 1.405 -9.329 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.811 1.393 -9.240 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.756 0.077 -9.877 1.00 0.00 C ATOM 0 H VAL A 58 15.745 0.103 -7.210 1.00 0.00 H new ATOM 0 HA VAL A 58 14.763 2.800 -7.823 1.00 0.00 H new ATOM 0 HB VAL A 58 14.995 2.193 -10.025 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.231 1.163 -10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.164 2.371 -8.914 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.128 0.636 -8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.217 -0.127 -10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.000 -0.726 -9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.674 0.137 -9.996 1.00 0.00 H new ATOM 847 N ASP A 59 12.876 0.149 -7.583 1.00 0.00 N ATOM 848 CA ASP A 59 11.498 -0.302 -7.486 1.00 0.00 C ATOM 849 C ASP A 59 10.749 0.573 -6.478 1.00 0.00 C ATOM 850 O ASP A 59 9.562 0.844 -6.648 1.00 0.00 O ATOM 851 CB ASP A 59 11.424 -1.751 -7.001 1.00 0.00 C ATOM 852 CG ASP A 59 12.104 -2.773 -7.913 1.00 0.00 C ATOM 853 OD1 ASP A 59 13.244 -2.486 -8.337 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.468 -3.820 -8.166 1.00 0.00 O ATOM 0 H ASP A 59 13.574 -0.567 -7.382 1.00 0.00 H new ATOM 0 HA ASP A 59 11.050 -0.231 -8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.878 -1.811 -6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.376 -2.028 -6.888 1.00 0.00 H new ATOM 859 N VAL A 60 11.475 0.990 -5.451 1.00 0.00 N ATOM 860 CA VAL A 60 10.895 1.829 -4.416 1.00 0.00 C ATOM 861 C VAL A 60 10.252 3.058 -5.062 1.00 0.00 C ATOM 862 O VAL A 60 9.094 3.371 -4.791 1.00 0.00 O ATOM 863 CB VAL A 60 11.958 2.187 -3.376 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.403 3.166 -2.340 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.511 0.930 -2.701 1.00 0.00 C ATOM 0 H VAL A 60 12.460 0.762 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 60 10.109 1.292 -3.885 1.00 0.00 H new ATOM 0 HB VAL A 60 12.781 2.678 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.179 3.404 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.081 4.080 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.553 2.713 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.265 1.213 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.700 0.398 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.962 0.282 -3.452 1.00 0.00 H new ATOM 875 N VAL A 61 11.032 3.720 -5.904 1.00 0.00 N ATOM 876 CA VAL A 61 10.553 4.908 -6.590 1.00 0.00 C ATOM 877 C VAL A 61 9.503 4.504 -7.627 1.00 0.00 C ATOM 878 O VAL A 61 8.537 5.231 -7.854 1.00 0.00 O ATOM 879 CB VAL A 61 11.731 5.671 -7.199 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.275 7.011 -7.780 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.845 5.871 -6.169 1.00 0.00 C ATOM 0 H VAL A 61 11.992 3.456 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 61 10.071 5.587 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 61 12.133 5.071 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.132 7.533 -8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.532 6.836 -8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.836 7.620 -6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.671 6.416 -6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.460 6.440 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.199 4.900 -5.823 1.00 0.00 H new ATOM 891 N ARG A 62 9.728 3.345 -8.229 1.00 0.00 N ATOM 892 CA ARG A 62 8.813 2.835 -9.237 1.00 0.00 C ATOM 893 C ARG A 62 7.433 2.588 -8.624 1.00 0.00 C ATOM 894 O ARG A 62 6.437 3.145 -9.083 1.00 0.00 O ATOM 895 CB ARG A 62 9.335 1.532 -9.846 1.00 0.00 C ATOM 896 CG ARG A 62 9.139 1.519 -11.363 1.00 0.00 C ATOM 897 CD ARG A 62 9.831 0.310 -11.995 1.00 0.00 C ATOM 898 NE ARG A 62 8.986 -0.251 -13.073 1.00 0.00 N ATOM 899 CZ ARG A 62 9.120 -1.490 -13.565 1.00 0.00 C ATOM 900 NH1 ARG A 62 10.065 -2.306 -13.077 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.309 -1.914 -14.543 1.00 0.00 N ATOM 0 H ARG A 62 10.530 2.745 -8.038 1.00 0.00 H new ATOM 0 HA ARG A 62 8.735 3.584 -10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.393 1.415 -9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.814 0.684 -9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.074 1.496 -11.595 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.539 2.437 -11.793 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.800 0.605 -12.398 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.019 -0.450 -11.236 1.00 0.00 H new ATOM 0 HE ARG A 62 8.256 0.343 -13.466 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.682 -1.984 -12.331 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.167 -3.249 -13.451 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.589 -1.294 -14.913 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.411 -2.857 -14.917 1.00 0.00 H new ATOM 915 N LEU A 63 7.418 1.751 -7.597 1.00 0.00 N ATOM 916 CA LEU A 63 6.177 1.423 -6.917 1.00 0.00 C ATOM 917 C LEU A 63 5.480 2.715 -6.485 1.00 0.00 C ATOM 918 O LEU A 63 4.293 2.901 -6.747 1.00 0.00 O ATOM 919 CB LEU A 63 6.438 0.450 -5.765 1.00 0.00 C ATOM 920 CG LEU A 63 5.461 0.524 -4.590 1.00 0.00 C ATOM 921 CD1 LEU A 63 4.033 0.216 -5.045 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.908 -0.389 -3.447 1.00 0.00 C ATOM 0 H LEU A 63 8.246 1.290 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 63 5.497 0.905 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.421 -0.565 -6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.445 0.628 -5.387 1.00 0.00 H new ATOM 0 HG LEU A 63 5.464 1.544 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.358 0.275 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.727 0.941 -5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.995 -0.788 -5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.196 -0.317 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.952 -1.419 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.895 -0.082 -3.101 1.00 0.00 H new ATOM 934 N VAL A 64 6.248 3.573 -5.830 1.00 0.00 N ATOM 935 CA VAL A 64 5.720 4.842 -5.359 1.00 0.00 C ATOM 936 C VAL A 64 5.250 5.670 -6.557 1.00 0.00 C ATOM 937 O VAL A 64 4.151 6.223 -6.541 1.00 0.00 O ATOM 938 CB VAL A 64 6.768 5.562 -4.509 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.201 6.854 -3.917 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.305 4.645 -3.408 1.00 0.00 C ATOM 0 H VAL A 64 7.232 3.414 -5.614 1.00 0.00 H new ATOM 0 HA VAL A 64 4.855 4.680 -4.716 1.00 0.00 H new ATOM 0 HB VAL A 64 7.601 5.829 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.967 7.346 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.890 7.518 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.342 6.620 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.048 5.181 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.485 4.334 -2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.765 3.766 -3.859 1.00 0.00 H new ATOM 950 N GLU A 65 6.105 5.729 -7.567 1.00 0.00 N ATOM 951 CA GLU A 65 5.791 6.480 -8.770 1.00 0.00 C ATOM 952 C GLU A 65 4.536 5.914 -9.437 1.00 0.00 C ATOM 953 O GLU A 65 3.690 6.667 -9.916 1.00 0.00 O ATOM 954 CB GLU A 65 6.975 6.481 -9.740 1.00 0.00 C ATOM 955 CG GLU A 65 8.059 7.457 -9.281 1.00 0.00 C ATOM 956 CD GLU A 65 8.015 8.750 -10.098 1.00 0.00 C ATOM 957 OE1 GLU A 65 8.289 8.663 -11.314 1.00 0.00 O ATOM 958 OE2 GLU A 65 7.707 9.797 -9.487 1.00 0.00 O ATOM 0 H GLU A 65 7.015 5.269 -7.577 1.00 0.00 H new ATOM 0 HA GLU A 65 5.593 7.514 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.392 5.476 -9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.632 6.756 -10.738 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.923 7.686 -8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.039 6.991 -9.383 1.00 0.00 H new ATOM 965 N GLU A 66 4.455 4.591 -9.447 1.00 0.00 N ATOM 966 CA GLU A 66 3.318 3.915 -10.047 1.00 0.00 C ATOM 967 C GLU A 66 2.026 4.311 -9.329 1.00 0.00 C ATOM 968 O GLU A 66 1.094 4.815 -9.954 1.00 0.00 O ATOM 969 CB GLU A 66 3.511 2.398 -10.031 1.00 0.00 C ATOM 970 CG GLU A 66 4.600 1.973 -11.018 1.00 0.00 C ATOM 971 CD GLU A 66 4.105 0.848 -11.929 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.077 1.074 -12.603 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.767 -0.213 -11.932 1.00 0.00 O ATOM 0 H GLU A 66 5.159 3.969 -9.049 1.00 0.00 H new ATOM 0 HA GLU A 66 3.243 4.227 -11.089 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.779 2.073 -9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.572 1.906 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.902 2.828 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.482 1.641 -10.471 1.00 0.00 H new ATOM 980 N VAL A 67 2.012 4.069 -8.027 1.00 0.00 N ATOM 981 CA VAL A 67 0.850 4.394 -7.217 1.00 0.00 C ATOM 982 C VAL A 67 0.564 5.894 -7.322 1.00 0.00 C ATOM 983 O VAL A 67 -0.557 6.335 -7.074 1.00 0.00 O ATOM 984 CB VAL A 67 1.068 3.927 -5.777 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.139 4.268 -4.901 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.374 2.428 -5.728 1.00 0.00 C ATOM 0 H VAL A 67 2.787 3.651 -7.512 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.031 3.868 -7.585 1.00 0.00 H new ATOM 0 HB VAL A 67 1.932 4.460 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.042 3.925 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.294 5.347 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.027 3.775 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.525 2.121 -4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.538 1.872 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.277 2.222 -6.303 1.00 0.00 H new ATOM 996 N LYS A 68 1.598 6.636 -7.690 1.00 0.00 N ATOM 997 CA LYS A 68 1.472 8.077 -7.831 1.00 0.00 C ATOM 998 C LYS A 68 0.471 8.391 -8.945 1.00 0.00 C ATOM 999 O LYS A 68 -0.358 9.288 -8.805 1.00 0.00 O ATOM 1000 CB LYS A 68 2.846 8.717 -8.040 1.00 0.00 C ATOM 1001 CG LYS A 68 3.200 9.646 -6.877 1.00 0.00 C ATOM 1002 CD LYS A 68 4.470 9.174 -6.166 1.00 0.00 C ATOM 1003 CE LYS A 68 5.246 10.358 -5.585 1.00 0.00 C ATOM 1004 NZ LYS A 68 6.432 9.884 -4.838 1.00 0.00 N ATOM 0 H LYS A 68 2.527 6.267 -7.895 1.00 0.00 H new ATOM 0 HA LYS A 68 1.077 8.516 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.604 7.939 -8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.851 9.279 -8.974 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.342 10.661 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.373 9.679 -6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.207 8.480 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.102 8.629 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.558 11.025 -6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.599 10.935 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.131 10.652 -4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.146 9.594 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.854 9.073 -5.334 1.00 0.00 H new ATOM 1018 N GLU A 69 0.582 7.634 -10.027 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.302 7.820 -11.164 1.00 0.00 C ATOM 1020 C GLU A 69 -1.718 7.356 -10.817 1.00 0.00 C ATOM 1021 O GLU A 69 -2.691 7.825 -11.406 1.00 0.00 O ATOM 1022 CB GLU A 69 0.229 7.086 -12.398 1.00 0.00 C ATOM 1023 CG GLU A 69 1.696 7.436 -12.655 1.00 0.00 C ATOM 1024 CD GLU A 69 1.841 8.303 -13.907 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.302 9.431 -13.883 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.488 7.819 -14.861 1.00 0.00 O ATOM 0 H GLU A 69 1.271 6.891 -10.140 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.337 8.883 -11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.127 6.010 -12.257 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.370 7.351 -13.269 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.104 7.964 -11.793 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.277 6.521 -12.772 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.789 6.440 -9.863 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.070 5.908 -9.430 1.00 0.00 C ATOM 1035 C LEU A 70 -3.919 7.041 -8.851 1.00 0.00 C ATOM 1036 O LEU A 70 -5.071 7.221 -9.244 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.865 4.738 -8.465 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.386 3.427 -9.092 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.290 2.319 -8.042 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.276 3.025 -10.270 1.00 0.00 C ATOM 0 H LEU A 70 -0.980 6.052 -9.377 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.619 5.500 -10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.142 5.040 -7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.807 4.548 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.382 3.584 -9.486 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.947 1.399 -8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.583 2.613 -7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.271 2.154 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.914 2.090 -10.697 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.301 2.892 -9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.249 3.806 -11.030 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.318 7.775 -7.927 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.005 8.886 -7.290 1.00 0.00 C ATOM 1054 C CYS A 71 -3.636 10.170 -8.036 1.00 0.00 C ATOM 1055 O CYS A 71 -4.143 11.245 -7.717 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.673 8.977 -5.799 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.031 9.817 -4.905 1.00 0.00 S ATOM 0 H CYS A 71 -2.363 7.622 -7.604 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.082 8.731 -7.346 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.521 7.978 -5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.741 9.524 -5.658 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.740 9.887 -3.640 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.757 10.016 -9.015 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.315 11.150 -9.809 1.00 0.00 C ATOM 1065 C ASP A 72 -1.604 12.156 -8.902 1.00 0.00 C ATOM 1066 O ASP A 72 -2.099 13.261 -8.685 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.502 11.860 -10.463 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.153 13.153 -11.203 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.001 13.241 -11.680 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.047 14.024 -11.276 1.00 0.00 O ATOM 0 H ASP A 72 -2.339 9.123 -9.277 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.645 10.778 -10.584 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.975 11.173 -11.165 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.240 12.087 -9.693 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.453 11.737 -8.395 1.00 0.00 N ATOM 1076 CA GLY A 73 0.331 12.587 -7.516 1.00 0.00 C ATOM 1077 C GLY A 73 0.125 12.199 -6.051 1.00 0.00 C ATOM 1078 O GLY A 73 0.039 13.066 -5.182 1.00 0.00 O ATOM 0 H GLY A 73 -0.045 10.820 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.387 12.505 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.047 13.629 -7.663 1.00 0.00 H new ATOM 1082 N LEU A 74 0.052 10.896 -5.821 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.142 10.383 -4.476 1.00 0.00 C ATOM 1084 C LEU A 74 0.988 10.887 -3.575 1.00 0.00 C ATOM 1085 O LEU A 74 2.147 10.918 -3.985 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.278 8.859 -4.498 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.444 8.181 -3.137 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.676 8.716 -2.405 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.481 6.658 -3.284 1.00 0.00 C ATOM 0 H LEU A 74 0.124 10.180 -6.544 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.076 10.757 -4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.136 8.600 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.604 8.442 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 74 0.425 8.425 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.771 8.218 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.569 9.790 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.567 8.523 -3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.600 6.200 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.319 6.374 -3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.450 6.313 -3.735 1.00 0.00 H new ATOM 1101 N GLU A 75 0.610 11.268 -2.363 1.00 0.00 N ATOM 1102 CA GLU A 75 1.576 11.768 -1.401 1.00 0.00 C ATOM 1103 C GLU A 75 2.355 10.608 -0.778 1.00 0.00 C ATOM 1104 O GLU A 75 2.274 10.377 0.427 1.00 0.00 O ATOM 1105 CB GLU A 75 0.890 12.609 -0.322 1.00 0.00 C ATOM 1106 CG GLU A 75 0.608 14.025 -0.828 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.248 14.804 0.173 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -1.136 14.166 0.778 1.00 0.00 O ATOM 1109 OE2 GLU A 75 0.005 16.021 0.310 1.00 0.00 O ATOM 0 H GLU A 75 -0.352 11.240 -2.026 1.00 0.00 H new ATOM 0 HA GLU A 75 2.281 12.413 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.044 12.133 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.522 12.655 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.549 14.550 -0.994 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.096 13.977 -1.789 1.00 0.00 H new ATOM 1116 N LEU A 76 3.092 9.909 -1.629 1.00 0.00 N ATOM 1117 CA LEU A 76 3.885 8.778 -1.177 1.00 0.00 C ATOM 1118 C LEU A 76 5.370 9.142 -1.245 1.00 0.00 C ATOM 1119 O LEU A 76 5.780 9.935 -2.091 1.00 0.00 O ATOM 1120 CB LEU A 76 3.524 7.520 -1.970 1.00 0.00 C ATOM 1121 CG LEU A 76 3.826 6.186 -1.284 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.823 5.905 -0.164 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.882 5.046 -2.303 1.00 0.00 C ATOM 0 H LEU A 76 3.157 10.104 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 76 3.660 8.547 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.460 7.554 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.059 7.547 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 76 4.811 6.255 -0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.061 4.951 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.876 6.700 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.816 5.864 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.098 4.109 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.922 4.967 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.666 5.249 -3.033 1.00 0.00 H new ATOM 1135 N GLU A 77 6.135 8.545 -0.343 1.00 0.00 N ATOM 1136 CA GLU A 77 7.565 8.797 -0.289 1.00 0.00 C ATOM 1137 C GLU A 77 8.326 7.487 -0.074 1.00 0.00 C ATOM 1138 O GLU A 77 7.785 6.535 0.485 1.00 0.00 O ATOM 1139 CB GLU A 77 7.902 9.813 0.804 1.00 0.00 C ATOM 1140 CG GLU A 77 6.824 9.828 1.890 1.00 0.00 C ATOM 1141 CD GLU A 77 7.090 10.937 2.910 1.00 0.00 C ATOM 1142 OE1 GLU A 77 8.209 10.938 3.468 1.00 0.00 O ATOM 1143 OE2 GLU A 77 6.169 11.758 3.109 1.00 0.00 O ATOM 0 H GLU A 77 5.791 7.887 0.357 1.00 0.00 H new ATOM 0 HA GLU A 77 7.876 9.223 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.867 9.568 1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.995 10.807 0.366 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.845 9.975 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.798 8.863 2.395 1.00 0.00 H new ATOM 1150 N ASN A 78 9.570 7.482 -0.531 1.00 0.00 N ATOM 1151 CA ASN A 78 10.412 6.305 -0.395 1.00 0.00 C ATOM 1152 C ASN A 78 10.320 5.780 1.039 1.00 0.00 C ATOM 1153 O ASN A 78 10.434 4.577 1.271 1.00 0.00 O ATOM 1154 CB ASN A 78 11.877 6.639 -0.683 1.00 0.00 C ATOM 1155 CG ASN A 78 12.061 7.091 -2.134 1.00 0.00 C ATOM 1156 OD1 ASN A 78 12.280 6.298 -3.035 1.00 0.00 O ATOM 1157 ND2 ASN A 78 11.961 8.406 -2.308 1.00 0.00 N ATOM 0 H ASN A 78 10.015 8.274 -0.996 1.00 0.00 H new ATOM 0 HA ASN A 78 10.065 5.558 -1.110 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.214 7.425 -0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.498 5.765 -0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.069 8.807 -3.240 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.776 9.013 -1.510 1.00 0.00 H new ATOM 1164 N GLU A 79 10.115 6.707 1.963 1.00 0.00 N ATOM 1165 CA GLU A 79 10.006 6.352 3.367 1.00 0.00 C ATOM 1166 C GLU A 79 8.846 5.377 3.581 1.00 0.00 C ATOM 1167 O GLU A 79 9.012 4.340 4.220 1.00 0.00 O ATOM 1168 CB GLU A 79 9.840 7.600 4.237 1.00 0.00 C ATOM 1169 CG GLU A 79 11.119 7.894 5.024 1.00 0.00 C ATOM 1170 CD GLU A 79 11.094 7.200 6.388 1.00 0.00 C ATOM 1171 OE1 GLU A 79 10.584 7.832 7.337 1.00 0.00 O ATOM 1172 OE2 GLU A 79 11.587 6.053 6.449 1.00 0.00 O ATOM 0 H GLU A 79 10.022 7.704 1.766 1.00 0.00 H new ATOM 0 HA GLU A 79 10.930 5.858 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.591 8.455 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.008 7.458 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.986 7.556 4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.227 8.970 5.161 1.00 0.00 H new ATOM 1179 N ASP A 80 7.697 5.745 3.033 1.00 0.00 N ATOM 1180 CA ASP A 80 6.510 4.916 3.155 1.00 0.00 C ATOM 1181 C ASP A 80 6.864 3.471 2.798 1.00 0.00 C ATOM 1182 O ASP A 80 6.567 2.550 3.557 1.00 0.00 O ATOM 1183 CB ASP A 80 5.411 5.384 2.199 1.00 0.00 C ATOM 1184 CG ASP A 80 4.834 6.767 2.505 1.00 0.00 C ATOM 1185 OD1 ASP A 80 4.451 6.976 3.676 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.788 7.585 1.560 1.00 0.00 O ATOM 0 H ASP A 80 7.563 6.606 2.503 1.00 0.00 H new ATOM 0 HA ASP A 80 6.151 4.990 4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.811 5.390 1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.600 4.656 2.218 1.00 0.00 H new ATOM 1191 N VAL A 81 7.494 3.318 1.642 1.00 0.00 N ATOM 1192 CA VAL A 81 7.891 2.000 1.175 1.00 0.00 C ATOM 1193 C VAL A 81 8.766 1.330 2.236 1.00 0.00 C ATOM 1194 O VAL A 81 8.591 0.150 2.536 1.00 0.00 O ATOM 1195 CB VAL A 81 8.582 2.114 -0.185 1.00 0.00 C ATOM 1196 CG1 VAL A 81 8.998 0.736 -0.705 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.687 2.834 -1.196 1.00 0.00 C ATOM 0 H VAL A 81 7.739 4.084 1.015 1.00 0.00 H new ATOM 0 HA VAL A 81 7.016 1.367 1.028 1.00 0.00 H new ATOM 0 HB VAL A 81 9.485 2.710 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.487 0.845 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.689 0.274 0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.115 0.106 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.202 2.902 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.759 2.277 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.462 3.837 -0.833 1.00 0.00 H new ATOM 1207 N TYR A 82 9.690 2.113 2.776 1.00 0.00 N ATOM 1208 CA TYR A 82 10.593 1.610 3.797 1.00 0.00 C ATOM 1209 C TYR A 82 9.839 1.302 5.092 1.00 0.00 C ATOM 1210 O TYR A 82 10.285 0.484 5.895 1.00 0.00 O ATOM 1211 CB TYR A 82 11.598 2.733 4.060 1.00 0.00 C ATOM 1212 CG TYR A 82 12.389 3.162 2.823 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.503 2.308 1.745 1.00 0.00 C ATOM 1214 CD2 TYR A 82 12.990 4.405 2.785 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.247 2.713 0.581 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.734 4.809 1.621 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.826 3.943 0.576 1.00 0.00 C ATOM 1218 OH TYR A 82 14.529 4.325 -0.524 1.00 0.00 O ATOM 0 H TYR A 82 9.832 3.091 2.525 1.00 0.00 H new ATOM 0 HA TYR A 82 11.072 0.689 3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.066 3.598 4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.297 2.408 4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 82 12.034 1.336 1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.902 5.074 3.629 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.343 2.054 -0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.209 5.778 1.578 1.00 0.00 H new ATOM 0 HH TYR A 82 14.886 5.228 -0.387 1.00 0.00 H new ATOM 1228 N MET A 83 8.709 1.975 5.256 1.00 0.00 N ATOM 1229 CA MET A 83 7.889 1.784 6.440 1.00 0.00 C ATOM 1230 C MET A 83 6.958 0.581 6.274 1.00 0.00 C ATOM 1231 O MET A 83 6.795 -0.214 7.198 1.00 0.00 O ATOM 1232 CB MET A 83 7.058 3.043 6.694 1.00 0.00 C ATOM 1233 CG MET A 83 7.952 4.279 6.799 1.00 0.00 C ATOM 1234 SD MET A 83 7.946 4.897 8.474 1.00 0.00 S ATOM 1235 CE MET A 83 9.376 4.046 9.123 1.00 0.00 C ATOM 0 H MET A 83 8.342 2.653 4.588 1.00 0.00 H new ATOM 0 HA MET A 83 8.547 1.595 7.288 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.339 3.178 5.886 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.485 2.925 7.614 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.969 4.028 6.499 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.599 5.052 6.116 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.519 4.320 10.168 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.224 2.969 9.048 1.00 0.00 H new ATOM 0 HE3 MET A 83 10.259 4.329 8.550 1.00 0.00 H new ATOM 1245 N ALA A 84 6.372 0.487 5.090 1.00 0.00 N ATOM 1246 CA ALA A 84 5.462 -0.606 4.791 1.00 0.00 C ATOM 1247 C ALA A 84 6.016 -1.420 3.620 1.00 0.00 C ATOM 1248 O ALA A 84 5.636 -1.201 2.471 1.00 0.00 O ATOM 1249 CB ALA A 84 4.068 -0.044 4.502 1.00 0.00 C ATOM 0 H ALA A 84 6.509 1.149 4.326 1.00 0.00 H new ATOM 0 HA ALA A 84 5.374 -1.277 5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.385 -0.863 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.707 0.501 5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.118 0.631 3.648 1.00 0.00 H new ATOM 1255 N SER A 85 6.906 -2.343 3.953 1.00 0.00 N ATOM 1256 CA SER A 85 7.517 -3.192 2.943 1.00 0.00 C ATOM 1257 C SER A 85 6.498 -4.213 2.432 1.00 0.00 C ATOM 1258 O SER A 85 6.504 -4.563 1.253 1.00 0.00 O ATOM 1259 CB SER A 85 8.751 -3.906 3.498 1.00 0.00 C ATOM 1260 OG SER A 85 8.407 -4.898 4.461 1.00 0.00 O ATOM 0 H SER A 85 7.219 -2.522 4.907 1.00 0.00 H new ATOM 0 HA SER A 85 7.837 -2.561 2.114 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.299 -4.371 2.679 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.418 -3.175 3.954 1.00 0.00 H new ATOM 0 HG SER A 85 9.218 -5.208 4.916 1.00 0.00 H new ATOM 1266 N THR A 86 5.648 -4.660 3.344 1.00 0.00 N ATOM 1267 CA THR A 86 4.625 -5.634 2.999 1.00 0.00 C ATOM 1268 C THR A 86 3.409 -4.936 2.387 1.00 0.00 C ATOM 1269 O THR A 86 3.055 -3.830 2.792 1.00 0.00 O ATOM 1270 CB THR A 86 4.295 -6.437 4.258 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.157 -5.449 5.275 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.470 -7.296 4.731 1.00 0.00 C ATOM 0 H THR A 86 5.646 -4.367 4.321 1.00 0.00 H new ATOM 0 HA THR A 86 4.979 -6.328 2.237 1.00 0.00 H new ATOM 0 HB THR A 86 3.433 -7.076 4.064 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.941 -5.884 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.182 -7.845 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.744 -8.001 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.322 -6.655 4.957 1.00 0.00 H new ATOM 1280 N PHE A 87 2.804 -5.611 1.421 1.00 0.00 N ATOM 1281 CA PHE A 87 1.635 -5.069 0.748 1.00 0.00 C ATOM 1282 C PHE A 87 0.524 -4.753 1.751 1.00 0.00 C ATOM 1283 O PHE A 87 0.036 -3.625 1.807 1.00 0.00 O ATOM 1284 CB PHE A 87 1.140 -6.144 -0.222 1.00 0.00 C ATOM 1285 CG PHE A 87 0.135 -5.632 -1.256 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.471 -4.605 -2.081 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.095 -6.205 -1.349 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.462 -4.130 -3.040 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.028 -5.730 -2.309 1.00 0.00 C ATOM 1290 CZ PHE A 87 -1.692 -4.703 -3.134 1.00 0.00 C ATOM 0 H PHE A 87 3.101 -6.528 1.088 1.00 0.00 H new ATOM 0 HA PHE A 87 1.896 -4.145 0.232 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.997 -6.571 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.680 -6.950 0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.448 -4.150 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.362 -7.021 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.195 -3.314 -3.695 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.005 -6.185 -2.384 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.402 -4.342 -3.864 1.00 0.00 H new ATOM 1300 N GLY A 88 0.155 -5.769 2.518 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.890 -5.613 3.515 1.00 0.00 C ATOM 1302 C GLY A 88 -0.737 -4.289 4.267 1.00 0.00 C ATOM 1303 O GLY A 88 -1.648 -3.463 4.269 1.00 0.00 O ATOM 0 H GLY A 88 0.561 -6.703 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.867 -5.650 3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.851 -6.443 4.221 1.00 0.00 H new ATOM 1307 N ASP A 89 0.423 -4.129 4.889 1.00 0.00 N ATOM 1308 CA ASP A 89 0.707 -2.920 5.643 1.00 0.00 C ATOM 1309 C ASP A 89 0.627 -1.711 4.708 1.00 0.00 C ATOM 1310 O ASP A 89 -0.063 -0.737 5.005 1.00 0.00 O ATOM 1311 CB ASP A 89 2.114 -2.962 6.242 1.00 0.00 C ATOM 1312 CG ASP A 89 2.232 -2.390 7.656 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.347 -1.584 8.018 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.204 -2.771 8.343 1.00 0.00 O ATOM 0 H ASP A 89 1.176 -4.817 4.886 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.025 -2.844 6.447 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.456 -3.997 6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.788 -2.411 5.586 1.00 0.00 H new ATOM 1319 N PHE A 90 1.344 -1.813 3.599 1.00 0.00 N ATOM 1320 CA PHE A 90 1.363 -0.740 2.619 1.00 0.00 C ATOM 1321 C PHE A 90 -0.057 -0.300 2.260 1.00 0.00 C ATOM 1322 O PHE A 90 -0.417 0.862 2.444 1.00 0.00 O ATOM 1323 CB PHE A 90 2.046 -1.290 1.366 1.00 0.00 C ATOM 1324 CG PHE A 90 2.269 -0.247 0.269 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.406 0.500 0.261 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.330 -0.067 -0.698 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.612 1.468 -0.757 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.537 0.902 -1.716 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.673 1.649 -1.724 1.00 0.00 C ATOM 0 H PHE A 90 1.916 -2.622 3.357 1.00 0.00 H new ATOM 0 HA PHE A 90 1.891 0.124 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.008 -1.717 1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.442 -2.103 0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.152 0.357 1.029 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.428 -0.660 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.515 2.061 -0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.791 1.045 -2.484 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.830 2.386 -2.498 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.827 -1.252 1.753 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.200 -0.977 1.366 1.00 0.00 C ATOM 1341 C ILE A 91 -2.844 -0.058 2.405 1.00 0.00 C ATOM 1342 O ILE A 91 -3.334 1.019 2.068 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.965 -2.283 1.141 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.481 -2.992 -0.125 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.475 -2.037 1.119 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.726 -2.128 -1.364 1.00 0.00 C ATOM 0 H ILE A 91 -0.526 -2.215 1.601 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.229 -0.450 0.413 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.759 -2.948 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.418 -3.215 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.999 -3.945 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.995 -2.981 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.788 -1.609 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.719 -1.346 0.312 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.373 -2.655 -2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.793 -1.927 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.187 -1.186 -1.263 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.823 -0.517 3.648 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.399 0.251 4.739 1.00 0.00 C ATOM 1360 C GLN A 92 -2.934 1.707 4.667 1.00 0.00 C ATOM 1361 O GLN A 92 -3.748 2.626 4.732 1.00 0.00 O ATOM 1362 CB GLN A 92 -3.048 -0.371 6.092 1.00 0.00 C ATOM 1363 CG GLN A 92 -4.090 -1.412 6.504 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.639 -2.151 5.282 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -3.910 -2.737 4.499 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -5.963 -2.092 5.163 1.00 0.00 N ATOM 0 H GLN A 92 -2.416 -1.411 3.924 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.484 0.232 4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -2.064 -0.838 6.037 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.989 0.409 6.851 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.642 -2.126 7.195 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.907 -0.924 7.036 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.515 -1.584 5.854 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.426 -2.555 4.381 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.626 1.871 4.534 1.00 0.00 N ATOM 1376 CA LEU A 93 -1.043 3.199 4.453 1.00 0.00 C ATOM 1377 C LEU A 93 -1.582 3.913 3.211 1.00 0.00 C ATOM 1378 O LEU A 93 -1.988 5.072 3.285 1.00 0.00 O ATOM 1379 CB LEU A 93 0.484 3.118 4.501 1.00 0.00 C ATOM 1380 CG LEU A 93 1.237 4.095 3.596 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.495 4.625 4.287 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.553 3.456 2.242 1.00 0.00 C ATOM 0 H LEU A 93 -0.954 1.106 4.480 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.335 3.796 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.805 3.286 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.783 2.104 4.235 1.00 0.00 H new ATOM 0 HG LEU A 93 0.590 4.951 3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.011 5.317 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.215 5.143 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.156 3.792 4.528 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.088 4.172 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.172 2.572 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.624 3.169 1.749 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.568 3.191 2.100 1.00 0.00 N ATOM 1395 CA LEU A 94 -2.050 3.741 0.845 1.00 0.00 C ATOM 1396 C LEU A 94 -3.507 4.178 1.011 1.00 0.00 C ATOM 1397 O LEU A 94 -3.832 5.350 0.825 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.833 2.744 -0.295 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.781 2.874 -1.489 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.323 3.986 -2.435 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.938 1.535 -2.213 1.00 0.00 C ATOM 0 H LEU A 94 -1.230 2.230 2.043 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.479 4.629 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.810 2.851 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.925 1.736 0.108 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.765 3.155 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.014 4.057 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.304 4.935 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.323 3.759 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.617 1.655 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.965 1.200 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.344 0.794 -1.524 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.345 3.212 1.358 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.760 3.482 1.550 1.00 0.00 C ATOM 1415 C VAL A 95 -5.923 4.771 2.360 1.00 0.00 C ATOM 1416 O VAL A 95 -6.785 5.594 2.056 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.439 2.276 2.203 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.890 2.595 2.567 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.358 1.046 1.297 1.00 0.00 C ATOM 0 H VAL A 95 -4.071 2.241 1.511 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.253 3.636 0.590 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.905 2.048 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.350 1.721 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.914 3.431 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.441 2.860 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.848 0.203 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.856 1.258 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.313 0.800 1.110 1.00 0.00 H new ATOM 1429 N ARG A 96 -5.082 4.905 3.375 1.00 0.00 N ATOM 1430 CA ARG A 96 -5.122 6.078 4.230 1.00 0.00 C ATOM 1431 C ARG A 96 -4.825 7.339 3.415 1.00 0.00 C ATOM 1432 O ARG A 96 -5.592 8.300 3.451 1.00 0.00 O ATOM 1433 CB ARG A 96 -4.106 5.965 5.369 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.794 5.579 6.680 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.830 5.701 7.862 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.571 5.571 9.136 1.00 0.00 N ATOM 1437 CZ ARG A 96 -5.236 6.575 9.724 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -5.255 7.789 9.156 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -5.881 6.366 10.879 1.00 0.00 N ATOM 0 H ARG A 96 -4.369 4.220 3.624 1.00 0.00 H new ATOM 0 HA ARG A 96 -6.123 6.143 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.352 5.219 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.586 6.915 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.659 6.222 6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.165 4.556 6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.063 4.929 7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.318 6.663 7.826 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.576 4.660 9.595 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.763 7.948 8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.761 8.553 9.603 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.866 5.442 11.311 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.387 7.130 11.326 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.711 7.294 2.700 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.303 8.421 1.878 1.00 0.00 C ATOM 1455 C LYS A 97 -4.380 8.695 0.826 1.00 0.00 C ATOM 1456 O LYS A 97 -4.754 9.845 0.600 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.913 8.178 1.287 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.887 7.913 2.390 1.00 0.00 C ATOM 1459 CD LYS A 97 0.475 7.550 1.795 1.00 0.00 C ATOM 1460 CE LYS A 97 1.561 7.549 2.873 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.995 8.932 3.173 1.00 0.00 N ATOM 0 H LYS A 97 -3.078 6.495 2.673 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.212 9.322 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.947 7.328 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.607 9.044 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.789 8.797 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.236 7.102 3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.421 6.567 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.735 8.262 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.182 7.076 3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.414 6.959 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.897 8.908 3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.118 9.458 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.275 9.403 3.757 1.00 0.00 H new ATOM 1475 N LEU A 98 -4.848 7.619 0.211 1.00 0.00 N ATOM 1476 CA LEU A 98 -5.875 7.729 -0.812 1.00 0.00 C ATOM 1477 C LEU A 98 -7.120 8.383 -0.210 1.00 0.00 C ATOM 1478 O LEU A 98 -7.609 9.387 -0.727 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.144 6.364 -1.449 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.110 5.885 -2.470 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.599 4.631 -3.197 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.741 7.005 -3.444 1.00 0.00 C ATOM 0 H LEU A 98 -4.535 6.667 0.401 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.537 8.373 -1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.212 5.621 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.118 6.398 -1.937 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.201 5.613 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.846 4.311 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.771 3.834 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.529 4.853 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.005 6.638 -4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.633 7.332 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.322 7.845 -2.890 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.597 7.789 0.873 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.776 8.301 1.550 1.00 0.00 C ATOM 1496 C ARG A 99 -8.590 9.780 1.894 1.00 0.00 C ATOM 1497 O ARG A 99 -9.472 10.598 1.635 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.058 7.518 2.834 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.781 6.205 2.528 1.00 0.00 C ATOM 1500 CD ARG A 99 -10.398 5.610 3.796 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.854 4.226 3.535 1.00 0.00 N ATOM 1502 CZ ARG A 99 -11.701 3.554 4.325 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -12.190 4.133 5.431 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -12.060 2.301 4.011 1.00 0.00 N ATOM 0 H ARG A 99 -7.188 6.957 1.299 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.623 8.185 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.121 7.309 3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.665 8.123 3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.561 6.379 1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.080 5.493 2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.666 5.614 4.603 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.238 6.223 4.124 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.501 3.755 2.702 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.917 5.086 5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.835 3.621 6.032 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -11.688 1.859 3.170 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.705 1.789 4.613 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.436 10.080 2.472 1.00 0.00 N ATOM 1519 CA GLY A 100 -7.122 11.446 2.854 1.00 0.00 C ATOM 1520 C GLY A 100 -6.411 11.488 4.208 1.00 0.00 C ATOM 1521 O GLY A 100 -7.043 11.328 5.250 1.00 0.00 O ATOM 0 H GLY A 100 -6.707 9.400 2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -6.490 11.904 2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.039 12.034 2.902 1.00 0.00 H new ATOM 1525 N ASP A 101 -5.105 11.704 4.148 1.00 0.00 N ATOM 1526 CA ASP A 101 -4.301 11.769 5.356 1.00 0.00 C ATOM 1527 C ASP A 101 -4.841 12.875 6.265 1.00 0.00 C ATOM 1528 O ASP A 101 -5.617 13.721 5.824 1.00 0.00 O ATOM 1529 CB ASP A 101 -2.842 12.095 5.030 1.00 0.00 C ATOM 1530 CG ASP A 101 -1.835 11.708 6.115 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -1.499 10.506 6.175 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -1.424 12.624 6.860 1.00 0.00 O ATOM 0 H ASP A 101 -4.584 11.836 3.281 1.00 0.00 H new ATOM 0 HA ASP A 101 -4.352 10.797 5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.570 11.587 4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.758 13.165 4.842 1.00 0.00 H new ATOM 1537 N ASP A 102 -4.411 12.831 7.517 1.00 0.00 N ATOM 1538 CA ASP A 102 -4.842 13.819 8.491 1.00 0.00 C ATOM 1539 C ASP A 102 -3.613 14.496 9.103 1.00 0.00 C ATOM 1540 O ASP A 102 -2.581 13.855 9.300 1.00 0.00 O ATOM 1541 CB ASP A 102 -5.635 13.166 9.624 1.00 0.00 C ATOM 1542 CG ASP A 102 -6.589 12.052 9.187 1.00 0.00 C ATOM 1543 OD1 ASP A 102 -7.568 12.386 8.486 1.00 0.00 O ATOM 1544 OD2 ASP A 102 -6.317 10.892 9.565 1.00 0.00 O ATOM 0 H ASP A 102 -3.769 12.127 7.880 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.475 14.543 7.979 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.933 12.758 10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.211 13.937 10.136 1.00 0.00 H new ATOM 1549 N GLU A 103 -3.765 15.781 9.386 1.00 0.00 N ATOM 1550 CA GLU A 103 -2.680 16.551 9.971 1.00 0.00 C ATOM 1551 C GLU A 103 -2.532 16.215 11.457 1.00 0.00 C ATOM 1552 O GLU A 103 -3.518 15.924 12.132 1.00 0.00 O ATOM 1553 CB GLU A 103 -2.901 18.051 9.768 1.00 0.00 C ATOM 1554 CG GLU A 103 -1.603 18.831 9.985 1.00 0.00 C ATOM 1555 CD GLU A 103 -1.593 20.121 9.162 1.00 0.00 C ATOM 1556 OE1 GLU A 103 -1.308 20.017 7.949 1.00 0.00 O ATOM 1557 OE2 GLU A 103 -1.872 21.180 9.763 1.00 0.00 O ATOM 0 H GLU A 103 -4.622 16.308 9.221 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.754 16.281 9.463 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.275 18.234 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.663 18.407 10.461 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.491 19.070 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.751 18.211 9.706 1.00 0.00 H new ATOM 1564 N GLU A 104 -1.293 16.267 11.922 1.00 0.00 N ATOM 1565 CA GLU A 104 -1.003 15.972 13.315 1.00 0.00 C ATOM 1566 C GLU A 104 -0.033 17.008 13.886 1.00 0.00 C ATOM 1567 O GLU A 104 0.688 17.667 13.139 1.00 0.00 O ATOM 1568 CB GLU A 104 -0.447 14.555 13.471 1.00 0.00 C ATOM 1569 CG GLU A 104 -0.831 13.961 14.827 1.00 0.00 C ATOM 1570 CD GLU A 104 -0.178 12.593 15.032 1.00 0.00 C ATOM 1571 OE1 GLU A 104 -0.781 11.601 14.568 1.00 0.00 O ATOM 1572 OE2 GLU A 104 0.909 12.570 15.648 1.00 0.00 O ATOM 0 H GLU A 104 -0.478 16.509 11.359 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.934 16.025 13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.829 13.921 12.671 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.638 14.574 13.372 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.524 14.638 15.624 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.915 13.864 14.892 1.00 0.00 H new ATOM 1579 N SER A 105 -0.046 17.119 15.206 1.00 0.00 N ATOM 1580 CA SER A 105 0.824 18.063 15.886 1.00 0.00 C ATOM 1581 C SER A 105 2.246 17.957 15.334 1.00 0.00 C ATOM 1582 O SER A 105 2.756 16.856 15.130 1.00 0.00 O ATOM 1583 CB SER A 105 0.822 17.824 17.398 1.00 0.00 C ATOM 1584 OG SER A 105 1.650 18.757 18.087 1.00 0.00 O ATOM 0 H SER A 105 -0.645 16.571 15.823 1.00 0.00 H new ATOM 0 HA SER A 105 0.445 19.069 15.704 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.198 17.897 17.775 1.00 0.00 H new ATOM 0 HB3 SER A 105 1.167 16.811 17.605 1.00 0.00 H new ATOM 0 HG SER A 105 1.621 18.572 19.049 1.00 0.00 H new ATOM 1590 N GLY A 106 2.848 19.115 15.107 1.00 0.00 N ATOM 1591 CA GLY A 106 4.201 19.166 14.582 1.00 0.00 C ATOM 1592 C GLY A 106 5.219 19.366 15.707 1.00 0.00 C ATOM 1593 O GLY A 106 4.929 19.085 16.868 1.00 0.00 O ATOM 0 H GLY A 106 2.423 20.026 15.277 1.00 0.00 H new ATOM 0 HA2 GLY A 106 4.422 18.243 14.047 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.285 19.980 13.862 1.00 0.00 H new ATOM 1597 N PRO A 107 6.421 19.865 15.312 1.00 0.00 N ATOM 1598 CA PRO A 107 7.483 20.106 16.274 1.00 0.00 C ATOM 1599 C PRO A 107 7.197 21.360 17.104 1.00 0.00 C ATOM 1600 O PRO A 107 6.806 22.392 16.561 1.00 0.00 O ATOM 1601 CB PRO A 107 8.749 20.222 15.441 1.00 0.00 C ATOM 1602 CG PRO A 107 8.289 20.504 14.020 1.00 0.00 C ATOM 1603 CD PRO A 107 6.800 20.210 13.945 1.00 0.00 C ATOM 0 HA PRO A 107 7.576 19.305 17.007 1.00 0.00 H new ATOM 0 HB2 PRO A 107 9.388 21.024 15.811 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.333 19.303 15.487 1.00 0.00 H new ATOM 0 HG2 PRO A 107 8.487 21.542 13.754 1.00 0.00 H new ATOM 0 HG3 PRO A 107 8.837 19.883 13.311 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.243 21.076 13.586 1.00 0.00 H new ATOM 0 HD3 PRO A 107 6.592 19.390 13.258 1.00 0.00 H new ATOM 1611 N SER A 108 7.402 21.228 18.406 1.00 0.00 N ATOM 1612 CA SER A 108 7.171 22.337 19.316 1.00 0.00 C ATOM 1613 C SER A 108 7.566 21.938 20.739 1.00 0.00 C ATOM 1614 O SER A 108 8.409 22.585 21.358 1.00 0.00 O ATOM 1615 CB SER A 108 5.709 22.786 19.277 1.00 0.00 C ATOM 1616 OG SER A 108 5.559 24.150 19.662 1.00 0.00 O ATOM 0 H SER A 108 7.726 20.370 18.853 1.00 0.00 H new ATOM 0 HA SER A 108 7.789 23.176 18.996 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.314 22.648 18.271 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.118 22.155 19.941 1.00 0.00 H new ATOM 0 HG SER A 108 4.612 24.399 19.622 1.00 0.00 H new ATOM 1622 N SER A 109 6.939 20.873 21.216 1.00 0.00 N ATOM 1623 CA SER A 109 7.214 20.380 22.555 1.00 0.00 C ATOM 1624 C SER A 109 6.780 21.415 23.594 1.00 0.00 C ATOM 1625 O SER A 109 7.230 22.560 23.560 1.00 0.00 O ATOM 1626 CB SER A 109 8.698 20.047 22.725 1.00 0.00 C ATOM 1627 OG SER A 109 8.955 18.655 22.561 1.00 0.00 O ATOM 0 H SER A 109 6.241 20.338 20.699 1.00 0.00 H new ATOM 0 HA SER A 109 6.644 19.463 22.705 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.282 20.612 21.998 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.029 20.363 23.714 1.00 0.00 H new ATOM 0 HG SER A 109 9.913 18.484 22.675 1.00 0.00 H new ATOM 1633 N GLY A 110 5.912 20.976 24.493 1.00 0.00 N ATOM 1634 CA GLY A 110 5.412 21.851 25.540 1.00 0.00 C ATOM 1635 C GLY A 110 3.931 21.584 25.818 1.00 0.00 C ATOM 1636 O GLY A 110 3.558 20.477 26.201 1.00 0.00 O ATOM 0 H GLY A 110 5.542 20.026 24.518 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.990 21.700 26.452 1.00 0.00 H new ATOM 0 HA3 GLY A 110 5.548 22.891 25.245 1.00 0.00 H new TER 1640 GLY A 110