USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 735 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 87 LYS NZ :NH3+ -113:sc= -0.117 (180deg=0) USER MOD Set 2.2: A 88 MET CE :methyl -136:sc= -3.77! (180deg=-5.22!) USER MOD Set 3.1: A 45 SER OG : rot 140:sc= 0.15 USER MOD Set 3.2: A 61 GLN : amide:sc= -0.305 X(o=-0.16,f=0.15) USER MOD Single : A 12 CYS SG : rot -170:sc= 0.0861 USER MOD Single : A 18 GLN : amide:sc= -0.449 X(o=-0.45,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -117:sc= 1.24 (180deg=-0.106) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 109:sc= -1.79 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 33:sc= 0.796 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.668 USER MOD Single : A 48 MET CE :methyl -139:sc= -0.748 (180deg=-2.53!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 145:sc= 0.131 (180deg=-0.815) USER MOD Single : A 60 TYR OH : rot 86:sc= 0.00657 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -156:sc= -0.563 USER MOD Single : A 68 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -56:sc= 0.00435 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0.0875 USER MOD Single : A 79 SER OG : rot -18:sc= 0.896! USER MOD Single : A 86 ASN : amide:sc= -1.6 K(o=-1.6,f=-11!) USER MOD Single : A 94 SER OG : rot 83:sc= -0.0222 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -158:sc= 0.543 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.511 16.689 4.869 1.00 0.00 N ATOM 67 CA PRO A 8 9.792 15.535 4.322 1.00 0.00 C ATOM 68 C PRO A 8 8.913 15.911 3.134 1.00 0.00 C ATOM 69 O PRO A 8 8.550 17.071 2.941 1.00 0.00 O ATOM 70 CB PRO A 8 8.931 15.064 5.497 1.00 0.00 C ATOM 71 CG PRO A 8 8.744 16.278 6.340 1.00 0.00 C ATOM 72 CD PRO A 8 10.007 17.081 6.197 1.00 0.00 C ATOM 0 HA PRO A 8 10.472 14.773 3.942 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.975 14.669 5.154 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.423 14.267 6.054 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.878 16.852 6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.570 16.007 7.381 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.811 18.152 6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.724 16.847 6.984 1.00 0.00 H new ATOM 80 N PRO A 9 8.560 14.907 2.318 1.00 0.00 N ATOM 81 CA PRO A 9 7.718 15.107 1.135 1.00 0.00 C ATOM 82 C PRO A 9 6.277 15.447 1.500 1.00 0.00 C ATOM 83 O PRO A 9 5.771 15.017 2.535 1.00 0.00 O ATOM 84 CB PRO A 9 7.784 13.756 0.419 1.00 0.00 C ATOM 85 CG PRO A 9 8.089 12.772 1.495 1.00 0.00 C ATOM 86 CD PRO A 9 8.956 13.498 2.487 1.00 0.00 C ATOM 0 HA PRO A 9 8.062 15.944 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.841 13.523 -0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.556 13.753 -0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.174 12.413 1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.604 11.900 1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.780 13.150 3.505 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.016 13.350 2.279 1.00 0.00 H new ATOM 94 N GLY A 10 5.620 16.222 0.641 1.00 0.00 N ATOM 95 CA GLY A 10 4.243 16.605 0.892 1.00 0.00 C ATOM 96 C GLY A 10 3.303 15.416 0.906 1.00 0.00 C ATOM 97 O GLY A 10 3.724 14.264 0.799 1.00 0.00 O ATOM 0 H GLY A 10 6.017 16.591 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.182 17.123 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.920 17.310 0.126 1.00 0.00 H new ATOM 101 N PRO A 11 1.997 15.691 1.042 1.00 0.00 N ATOM 102 CA PRO A 11 0.968 14.647 1.074 1.00 0.00 C ATOM 103 C PRO A 11 0.786 13.971 -0.281 1.00 0.00 C ATOM 104 O PRO A 11 0.319 14.592 -1.237 1.00 0.00 O ATOM 105 CB PRO A 11 -0.299 15.411 1.466 1.00 0.00 C ATOM 106 CG PRO A 11 -0.053 16.810 1.016 1.00 0.00 C ATOM 107 CD PRO A 11 1.425 17.041 1.174 1.00 0.00 C ATOM 0 HA PRO A 11 1.226 13.841 1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.181 14.989 0.983 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.472 15.366 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.361 16.947 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.625 17.519 1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.810 17.717 0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.661 17.485 2.141 1.00 0.00 H new ATOM 115 N CYS A 12 1.155 12.698 -0.356 1.00 0.00 N ATOM 116 CA CYS A 12 1.032 11.937 -1.594 1.00 0.00 C ATOM 117 C CYS A 12 -0.434 11.688 -1.936 1.00 0.00 C ATOM 118 O CYS A 12 -1.329 12.019 -1.157 1.00 0.00 O ATOM 119 CB CYS A 12 1.774 10.605 -1.475 1.00 0.00 C ATOM 120 SG CYS A 12 3.337 10.710 -0.573 1.00 0.00 S ATOM 0 H CYS A 12 1.542 12.170 0.426 1.00 0.00 H new ATOM 0 HA CYS A 12 1.479 12.523 -2.397 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.127 9.884 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.969 10.219 -2.476 1.00 0.00 H new ATOM 0 HG CYS A 12 3.989 9.593 -0.703 1.00 0.00 H new ATOM 126 N LEU A 13 -0.672 11.103 -3.105 1.00 0.00 N ATOM 127 CA LEU A 13 -2.030 10.811 -3.551 1.00 0.00 C ATOM 128 C LEU A 13 -2.414 9.372 -3.219 1.00 0.00 C ATOM 129 O LEU A 13 -1.562 8.510 -3.006 1.00 0.00 O ATOM 130 CB LEU A 13 -2.155 11.050 -5.057 1.00 0.00 C ATOM 131 CG LEU A 13 -2.434 12.490 -5.487 1.00 0.00 C ATOM 132 CD1 LEU A 13 -2.262 12.641 -6.990 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.833 12.913 -5.063 1.00 0.00 C ATOM 0 H LEU A 13 0.057 10.822 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.711 11.480 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.232 10.722 -5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.955 10.416 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.714 13.142 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.465 13.673 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.240 12.381 -7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.957 11.978 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.013 13.941 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.568 12.257 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.921 12.845 -3.979 1.00 0.00 H new ATOM 145 N PRO A 14 -3.728 9.105 -3.176 1.00 0.00 N ATOM 146 CA PRO A 14 -4.255 7.771 -2.874 1.00 0.00 C ATOM 147 C PRO A 14 -3.989 6.775 -3.997 1.00 0.00 C ATOM 148 O PRO A 14 -4.111 7.090 -5.181 1.00 0.00 O ATOM 149 CB PRO A 14 -5.758 8.011 -2.716 1.00 0.00 C ATOM 150 CG PRO A 14 -6.034 9.232 -3.525 1.00 0.00 C ATOM 151 CD PRO A 14 -4.800 10.085 -3.420 1.00 0.00 C ATOM 0 HA PRO A 14 -3.784 7.337 -1.992 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.335 7.159 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.027 8.160 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.243 8.974 -4.563 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.908 9.762 -3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.625 10.653 -4.334 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.878 10.806 -2.606 1.00 0.00 H new ATOM 159 N PRO A 15 -3.618 5.542 -3.620 1.00 0.00 N ATOM 160 CA PRO A 15 -3.328 4.474 -4.581 1.00 0.00 C ATOM 161 C PRO A 15 -4.582 3.983 -5.298 1.00 0.00 C ATOM 162 O PRO A 15 -5.584 3.658 -4.662 1.00 0.00 O ATOM 163 CB PRO A 15 -2.741 3.362 -3.709 1.00 0.00 C ATOM 164 CG PRO A 15 -3.307 3.605 -2.353 1.00 0.00 C ATOM 165 CD PRO A 15 -3.452 5.097 -2.226 1.00 0.00 C ATOM 0 HA PRO A 15 -2.660 4.810 -5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.019 2.377 -4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.652 3.402 -3.696 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.270 3.108 -2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.649 3.210 -1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.312 5.367 -1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.575 5.548 -1.762 1.00 0.00 H new ATOM 173 N ARG A 16 -4.518 3.932 -6.624 1.00 0.00 N ATOM 174 CA ARG A 16 -5.649 3.482 -7.427 1.00 0.00 C ATOM 175 C ARG A 16 -5.656 1.961 -7.551 1.00 0.00 C ATOM 176 O ARG A 16 -4.721 1.367 -8.091 1.00 0.00 O ATOM 177 CB ARG A 16 -5.600 4.117 -8.817 1.00 0.00 C ATOM 178 CG ARG A 16 -6.154 5.532 -8.860 1.00 0.00 C ATOM 179 CD ARG A 16 -7.646 5.555 -8.565 1.00 0.00 C ATOM 180 NE ARG A 16 -8.276 6.788 -9.027 1.00 0.00 N ATOM 181 CZ ARG A 16 -9.590 6.984 -9.036 1.00 0.00 C ATOM 182 NH1 ARG A 16 -10.408 6.032 -8.608 1.00 0.00 N ATOM 183 NH2 ARG A 16 -10.089 8.133 -9.472 1.00 0.00 N ATOM 0 H ARG A 16 -3.695 4.197 -7.165 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.565 3.793 -6.925 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.567 4.129 -9.165 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.163 3.494 -9.512 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.629 6.152 -8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.969 5.967 -9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.124 4.702 -9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.805 5.447 -7.492 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.674 7.541 -9.361 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.029 5.147 -8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.416 6.185 -8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.464 8.868 -9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.098 8.281 -9.478 1.00 0.00 H new ATOM 197 N LEU A 17 -6.714 1.336 -7.048 1.00 0.00 N ATOM 198 CA LEU A 17 -6.843 -0.116 -7.102 1.00 0.00 C ATOM 199 C LEU A 17 -6.511 -0.641 -8.495 1.00 0.00 C ATOM 200 O LEU A 17 -7.108 -0.220 -9.485 1.00 0.00 O ATOM 201 CB LEU A 17 -8.261 -0.537 -6.711 1.00 0.00 C ATOM 202 CG LEU A 17 -8.679 -1.949 -7.121 1.00 0.00 C ATOM 203 CD1 LEU A 17 -7.958 -2.986 -6.275 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.187 -2.115 -7.001 1.00 0.00 C ATOM 0 H LEU A 17 -7.496 1.812 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.135 -0.545 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.359 -0.451 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.963 0.171 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.399 -2.102 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.268 -3.985 -6.581 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.882 -2.882 -6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.206 -2.835 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.466 -3.126 -7.297 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.491 -1.942 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.685 -1.396 -7.651 1.00 0.00 H new ATOM 216 N GLN A 18 -5.556 -1.563 -8.561 1.00 0.00 N ATOM 217 CA GLN A 18 -5.146 -2.146 -9.833 1.00 0.00 C ATOM 218 C GLN A 18 -6.120 -3.234 -10.273 1.00 0.00 C ATOM 219 O GLN A 18 -6.696 -3.938 -9.445 1.00 0.00 O ATOM 220 CB GLN A 18 -3.734 -2.725 -9.721 1.00 0.00 C ATOM 221 CG GLN A 18 -2.972 -2.730 -11.037 1.00 0.00 C ATOM 222 CD GLN A 18 -1.759 -3.638 -11.006 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.847 -4.822 -11.333 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.617 -3.087 -10.610 1.00 0.00 N ATOM 0 H GLN A 18 -5.052 -1.922 -7.750 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.149 -1.356 -10.584 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.171 -2.148 -8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.798 -3.746 -9.344 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.639 -3.049 -11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.655 -1.714 -11.272 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.590 -2.102 -10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.233 -3.649 -10.568 1.00 0.00 H new ATOM 233 N GLY A 19 -6.302 -3.364 -11.584 1.00 0.00 N ATOM 234 CA GLY A 19 -7.208 -4.368 -12.111 1.00 0.00 C ATOM 235 C GLY A 19 -8.426 -4.568 -11.231 1.00 0.00 C ATOM 236 O GLY A 19 -9.225 -3.651 -11.048 1.00 0.00 O ATOM 0 H GLY A 19 -5.838 -2.792 -12.290 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.530 -4.074 -13.110 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.677 -5.315 -12.212 1.00 0.00 H new ATOM 240 N ARG A 20 -8.568 -5.772 -10.687 1.00 0.00 N ATOM 241 CA ARG A 20 -9.699 -6.092 -9.824 1.00 0.00 C ATOM 242 C ARG A 20 -9.221 -6.613 -8.471 1.00 0.00 C ATOM 243 O ARG A 20 -8.233 -7.341 -8.373 1.00 0.00 O ATOM 244 CB ARG A 20 -10.601 -7.130 -10.492 1.00 0.00 C ATOM 245 CG ARG A 20 -11.408 -6.577 -11.656 1.00 0.00 C ATOM 246 CD ARG A 20 -12.742 -6.013 -11.190 1.00 0.00 C ATOM 247 NE ARG A 20 -13.330 -5.113 -12.178 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.407 -4.371 -11.947 1.00 0.00 C ATOM 249 NH1 ARG A 20 -15.010 -4.422 -10.767 1.00 0.00 N ATOM 250 NH2 ARG A 20 -14.883 -3.576 -12.897 1.00 0.00 N ATOM 0 H ARG A 20 -7.914 -6.542 -10.828 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.269 -5.177 -9.661 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.987 -7.958 -10.847 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.285 -7.537 -9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.837 -5.796 -12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.581 -7.366 -12.388 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.432 -6.833 -10.990 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.601 -5.478 -10.251 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.889 -5.051 -13.096 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.647 -5.032 -10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.837 -3.851 -10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.422 -3.534 -13.806 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.710 -3.007 -12.718 1.00 0.00 H new ATOM 264 N PRO A 21 -9.936 -6.231 -7.403 1.00 0.00 N ATOM 265 CA PRO A 21 -9.604 -6.648 -6.038 1.00 0.00 C ATOM 266 C PRO A 21 -9.866 -8.132 -5.805 1.00 0.00 C ATOM 267 O PRO A 21 -10.659 -8.752 -6.514 1.00 0.00 O ATOM 268 CB PRO A 21 -10.536 -5.798 -5.171 1.00 0.00 C ATOM 269 CG PRO A 21 -11.690 -5.477 -6.057 1.00 0.00 C ATOM 270 CD PRO A 21 -11.125 -5.363 -7.446 1.00 0.00 C ATOM 0 HA PRO A 21 -8.546 -6.508 -5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.858 -6.343 -4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.038 -4.892 -4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.449 -6.257 -6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.169 -4.546 -5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.839 -5.697 -8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.862 -4.334 -7.690 1.00 0.00 H new ATOM 278 N LYS A 22 -9.194 -8.697 -4.807 1.00 0.00 N ATOM 279 CA LYS A 22 -9.355 -10.108 -4.479 1.00 0.00 C ATOM 280 C LYS A 22 -10.152 -10.280 -3.190 1.00 0.00 C ATOM 281 O LYS A 22 -10.435 -9.308 -2.490 1.00 0.00 O ATOM 282 CB LYS A 22 -7.986 -10.779 -4.338 1.00 0.00 C ATOM 283 CG LYS A 22 -7.087 -10.586 -5.546 1.00 0.00 C ATOM 284 CD LYS A 22 -7.471 -11.518 -6.682 1.00 0.00 C ATOM 285 CE LYS A 22 -8.461 -10.860 -7.632 1.00 0.00 C ATOM 286 NZ LYS A 22 -7.772 -10.100 -8.712 1.00 0.00 N ATOM 0 H LYS A 22 -8.533 -8.199 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.905 -10.584 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.485 -10.381 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.129 -11.846 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.150 -9.552 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.050 -10.766 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.577 -11.811 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.907 -12.430 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.100 -11.623 -8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.110 -10.187 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.011 -9.091 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.743 -10.221 -8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.080 -10.457 -9.639 1.00 0.00 H new ATOM 300 N ALA A 23 -10.510 -11.522 -2.882 1.00 0.00 N ATOM 301 CA ALA A 23 -11.271 -11.821 -1.675 1.00 0.00 C ATOM 302 C ALA A 23 -10.513 -11.386 -0.426 1.00 0.00 C ATOM 303 O ALA A 23 -11.024 -10.616 0.388 1.00 0.00 O ATOM 304 CB ALA A 23 -11.594 -13.306 -1.609 1.00 0.00 C ATOM 0 H ALA A 23 -10.285 -12.338 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.204 -11.259 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.162 -13.515 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.184 -13.589 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.667 -13.880 -1.596 1.00 0.00 H new ATOM 310 N LYS A 24 -9.290 -11.885 -0.278 1.00 0.00 N ATOM 311 CA LYS A 24 -8.460 -11.548 0.872 1.00 0.00 C ATOM 312 C LYS A 24 -7.204 -10.800 0.436 1.00 0.00 C ATOM 313 O LYS A 24 -6.232 -10.712 1.186 1.00 0.00 O ATOM 314 CB LYS A 24 -8.071 -12.816 1.636 1.00 0.00 C ATOM 315 CG LYS A 24 -9.263 -13.601 2.158 1.00 0.00 C ATOM 316 CD LYS A 24 -8.860 -14.546 3.277 1.00 0.00 C ATOM 317 CE LYS A 24 -10.043 -14.889 4.169 1.00 0.00 C ATOM 318 NZ LYS A 24 -9.871 -16.209 4.836 1.00 0.00 N ATOM 0 H LYS A 24 -8.852 -12.525 -0.941 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.039 -10.899 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.482 -13.458 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.431 -12.543 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.025 -12.910 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.710 -14.170 1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.447 -15.460 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.072 -14.088 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.165 -14.113 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.956 -14.899 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.698 -16.406 5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.780 -16.953 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.014 -16.191 5.425 1.00 0.00 H new ATOM 332 N GLU A 25 -7.233 -10.262 -0.779 1.00 0.00 N ATOM 333 CA GLU A 25 -6.096 -9.521 -1.313 1.00 0.00 C ATOM 334 C GLU A 25 -6.564 -8.379 -2.211 1.00 0.00 C ATOM 335 O GLU A 25 -7.718 -8.347 -2.641 1.00 0.00 O ATOM 336 CB GLU A 25 -5.173 -10.455 -2.097 1.00 0.00 C ATOM 337 CG GLU A 25 -4.230 -11.259 -1.217 1.00 0.00 C ATOM 338 CD GLU A 25 -3.713 -12.508 -1.904 1.00 0.00 C ATOM 339 OE1 GLU A 25 -2.972 -12.373 -2.901 1.00 0.00 O ATOM 340 OE2 GLU A 25 -4.049 -13.620 -1.447 1.00 0.00 O ATOM 0 H GLU A 25 -8.031 -10.325 -1.412 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.545 -9.098 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.781 -11.142 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.586 -9.865 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.386 -10.632 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.747 -11.541 -0.300 1.00 0.00 H new ATOM 347 N ILE A 26 -5.661 -7.445 -2.489 1.00 0.00 N ATOM 348 CA ILE A 26 -5.981 -6.302 -3.336 1.00 0.00 C ATOM 349 C ILE A 26 -4.718 -5.684 -3.925 1.00 0.00 C ATOM 350 O ILE A 26 -3.736 -5.462 -3.217 1.00 0.00 O ATOM 351 CB ILE A 26 -6.752 -5.222 -2.555 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.964 -5.836 -1.853 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.185 -4.101 -3.489 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.807 -4.825 -1.107 1.00 0.00 C ATOM 0 H ILE A 26 -4.702 -7.457 -2.140 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.611 -6.674 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.091 -4.802 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.586 -6.340 -2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.621 -6.598 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.729 -3.345 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.305 -3.648 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.831 -4.506 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.648 -5.331 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.200 -4.338 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.180 -4.076 -1.806 1.00 0.00 H new ATOM 366 N GLN A 27 -4.752 -5.408 -5.225 1.00 0.00 N ATOM 367 CA GLN A 27 -3.609 -4.814 -5.909 1.00 0.00 C ATOM 368 C GLN A 27 -3.760 -3.299 -6.006 1.00 0.00 C ATOM 369 O GLN A 27 -4.860 -2.787 -6.217 1.00 0.00 O ATOM 370 CB GLN A 27 -3.457 -5.414 -7.308 1.00 0.00 C ATOM 371 CG GLN A 27 -2.928 -6.839 -7.304 1.00 0.00 C ATOM 372 CD GLN A 27 -3.214 -7.571 -8.600 1.00 0.00 C ATOM 373 OE1 GLN A 27 -2.435 -7.500 -9.551 1.00 0.00 O ATOM 374 NE2 GLN A 27 -4.336 -8.280 -8.645 1.00 0.00 N ATOM 0 H GLN A 27 -5.557 -5.586 -5.825 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.714 -5.035 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.425 -5.396 -7.809 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.784 -4.787 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.852 -6.823 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.376 -7.387 -6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.953 -8.311 -7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.581 -8.794 -9.491 1.00 0.00 H new ATOM 383 N LEU A 28 -2.649 -2.588 -5.852 1.00 0.00 N ATOM 384 CA LEU A 28 -2.657 -1.131 -5.922 1.00 0.00 C ATOM 385 C LEU A 28 -1.565 -0.624 -6.859 1.00 0.00 C ATOM 386 O LEU A 28 -0.569 -1.309 -7.094 1.00 0.00 O ATOM 387 CB LEU A 28 -2.467 -0.532 -4.527 1.00 0.00 C ATOM 388 CG LEU A 28 -3.481 -0.964 -3.467 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.857 -0.916 -2.081 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.721 -0.084 -3.526 1.00 0.00 C ATOM 0 H LEU A 28 -1.731 -2.997 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.623 -0.817 -6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.469 -0.793 -4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.501 0.554 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.779 -1.992 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.593 -1.227 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.000 -1.588 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.530 0.101 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.432 -0.406 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.440 0.953 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.181 -0.169 -4.511 1.00 0.00 H new ATOM 402 N ARG A 29 -1.758 0.579 -7.388 1.00 0.00 N ATOM 403 CA ARG A 29 -0.789 1.178 -8.299 1.00 0.00 C ATOM 404 C ARG A 29 -0.774 2.697 -8.154 1.00 0.00 C ATOM 405 O ARG A 29 -1.684 3.383 -8.619 1.00 0.00 O ATOM 406 CB ARG A 29 -1.112 0.795 -9.744 1.00 0.00 C ATOM 407 CG ARG A 29 -0.477 1.715 -10.774 1.00 0.00 C ATOM 408 CD ARG A 29 -0.169 0.976 -12.067 1.00 0.00 C ATOM 409 NE ARG A 29 -0.122 1.878 -13.215 1.00 0.00 N ATOM 410 CZ ARG A 29 0.924 2.643 -13.507 1.00 0.00 C ATOM 411 NH1 ARG A 29 2.005 2.615 -12.739 1.00 0.00 N ATOM 412 NH2 ARG A 29 0.890 3.437 -14.569 1.00 0.00 N ATOM 0 H ARG A 29 -2.576 1.159 -7.202 1.00 0.00 H new ATOM 0 HA ARG A 29 0.199 0.796 -8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.775 -0.226 -9.924 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.193 0.803 -9.880 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.148 2.549 -10.981 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.442 2.138 -10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.787 0.461 -11.971 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.927 0.212 -12.237 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.937 1.923 -13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.034 2.005 -11.922 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.807 3.203 -12.965 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.060 3.460 -15.162 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.693 4.024 -14.793 1.00 0.00 H new ATOM 426 N TRP A 30 0.264 3.214 -7.508 1.00 0.00 N ATOM 427 CA TRP A 30 0.397 4.652 -7.302 1.00 0.00 C ATOM 428 C TRP A 30 1.647 5.187 -7.992 1.00 0.00 C ATOM 429 O TRP A 30 2.358 4.447 -8.670 1.00 0.00 O ATOM 430 CB TRP A 30 0.448 4.971 -5.807 1.00 0.00 C ATOM 431 CG TRP A 30 1.578 4.293 -5.093 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.773 4.850 -4.734 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.620 2.931 -4.653 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.554 3.916 -4.098 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.870 2.731 -4.035 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.722 1.862 -4.720 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.242 1.506 -3.489 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.094 0.646 -4.178 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.344 0.476 -3.568 1.00 0.00 C ATOM 0 H TRP A 30 1.026 2.660 -7.118 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.474 5.139 -7.741 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.540 6.049 -5.676 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.494 4.673 -5.347 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.061 5.874 -4.923 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.492 4.079 -3.732 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.244 1.984 -5.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.205 1.373 -3.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.409 -0.188 -4.226 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.604 -0.486 -3.152 1.00 0.00 H new ATOM 450 N GLY A 31 1.909 6.478 -7.814 1.00 0.00 N ATOM 451 CA GLY A 31 3.074 7.090 -8.426 1.00 0.00 C ATOM 452 C GLY A 31 3.759 8.081 -7.506 1.00 0.00 C ATOM 453 O GLY A 31 3.301 8.349 -6.395 1.00 0.00 O ATOM 0 H GLY A 31 1.335 7.111 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.783 6.312 -8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.775 7.597 -9.343 1.00 0.00 H new ATOM 457 N PRO A 32 4.886 8.643 -7.969 1.00 0.00 N ATOM 458 CA PRO A 32 5.660 9.618 -7.195 1.00 0.00 C ATOM 459 C PRO A 32 4.936 10.953 -7.054 1.00 0.00 C ATOM 460 O PRO A 32 4.302 11.444 -7.988 1.00 0.00 O ATOM 461 CB PRO A 32 6.939 9.789 -8.018 1.00 0.00 C ATOM 462 CG PRO A 32 6.544 9.435 -9.410 1.00 0.00 C ATOM 463 CD PRO A 32 5.490 8.371 -9.284 1.00 0.00 C ATOM 0 HA PRO A 32 5.835 9.280 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.313 10.811 -7.960 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.734 9.138 -7.654 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.158 10.306 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.400 9.071 -9.978 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.754 8.437 -10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.921 7.371 -9.329 1.00 0.00 H new ATOM 471 N PRO A 33 5.031 11.555 -5.859 1.00 0.00 N ATOM 472 CA PRO A 33 4.391 12.842 -5.569 1.00 0.00 C ATOM 473 C PRO A 33 5.050 13.998 -6.313 1.00 0.00 C ATOM 474 O PRO A 33 6.025 13.806 -7.041 1.00 0.00 O ATOM 475 CB PRO A 33 4.584 13.000 -4.058 1.00 0.00 C ATOM 476 CG PRO A 33 5.790 12.185 -3.742 1.00 0.00 C ATOM 477 CD PRO A 33 5.770 11.027 -4.701 1.00 0.00 C ATOM 0 HA PRO A 33 3.348 12.859 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.730 14.045 -3.785 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.712 12.646 -3.508 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.700 12.773 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.766 11.837 -2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.778 10.715 -4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.274 10.157 -4.270 1.00 0.00 H new ATOM 485 N LEU A 34 4.512 15.198 -6.127 1.00 0.00 N ATOM 486 CA LEU A 34 5.049 16.387 -6.781 1.00 0.00 C ATOM 487 C LEU A 34 5.984 17.148 -5.847 1.00 0.00 C ATOM 488 O LEU A 34 6.929 17.799 -6.292 1.00 0.00 O ATOM 489 CB LEU A 34 3.910 17.300 -7.236 1.00 0.00 C ATOM 490 CG LEU A 34 3.295 16.979 -8.599 1.00 0.00 C ATOM 491 CD1 LEU A 34 4.054 17.689 -9.709 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.281 15.476 -8.837 1.00 0.00 C ATOM 0 H LEU A 34 3.705 15.374 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 34 5.620 16.066 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.120 17.263 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.280 18.325 -7.259 1.00 0.00 H new ATOM 0 HG LEU A 34 2.266 17.338 -8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.601 17.448 -10.671 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.012 18.766 -9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.094 17.362 -9.705 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.840 15.266 -9.811 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.301 15.094 -8.811 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.691 14.990 -8.060 1.00 0.00 H new ATOM 504 N VAL A 35 5.715 17.059 -4.548 1.00 0.00 N ATOM 505 CA VAL A 35 6.533 17.736 -3.550 1.00 0.00 C ATOM 506 C VAL A 35 7.361 16.738 -2.749 1.00 0.00 C ATOM 507 O VAL A 35 6.892 16.182 -1.755 1.00 0.00 O ATOM 508 CB VAL A 35 5.668 18.563 -2.581 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.542 19.453 -1.710 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.649 19.391 -3.350 1.00 0.00 C ATOM 0 H VAL A 35 4.936 16.524 -4.163 1.00 0.00 H new ATOM 0 HA VAL A 35 7.201 18.406 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 35 5.127 17.877 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.913 20.030 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.228 18.835 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.113 20.133 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.047 19.969 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.168 20.069 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.002 18.729 -3.925 1.00 0.00 H new ATOM 520 N ASP A 36 8.595 16.515 -3.187 1.00 0.00 N ATOM 521 CA ASP A 36 9.491 15.584 -2.510 1.00 0.00 C ATOM 522 C ASP A 36 10.394 16.318 -1.525 1.00 0.00 C ATOM 523 O ASP A 36 11.455 15.820 -1.150 1.00 0.00 O ATOM 524 CB ASP A 36 10.339 14.825 -3.531 1.00 0.00 C ATOM 525 CG ASP A 36 11.380 15.708 -4.190 1.00 0.00 C ATOM 526 OD1 ASP A 36 12.060 16.466 -3.466 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.515 15.642 -5.430 1.00 0.00 O ATOM 0 H ASP A 36 8.998 16.966 -4.008 1.00 0.00 H new ATOM 0 HA ASP A 36 8.882 14.871 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.835 13.990 -3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.688 14.402 -4.296 1.00 0.00 H new ATOM 532 N GLY A 37 9.967 17.507 -1.109 1.00 0.00 N ATOM 533 CA GLY A 37 10.749 18.291 -0.172 1.00 0.00 C ATOM 534 C GLY A 37 12.097 18.694 -0.738 1.00 0.00 C ATOM 535 O GLY A 37 12.988 19.111 0.001 1.00 0.00 O ATOM 0 H GLY A 37 9.093 17.941 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.191 19.186 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.899 17.716 0.742 1.00 0.00 H new ATOM 539 N GLY A 38 12.248 18.566 -2.053 1.00 0.00 N ATOM 540 CA GLY A 38 13.500 18.922 -2.694 1.00 0.00 C ATOM 541 C GLY A 38 14.396 17.722 -2.922 1.00 0.00 C ATOM 542 O GLY A 38 15.251 17.736 -3.808 1.00 0.00 O ATOM 0 H GLY A 38 11.525 18.222 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.291 19.403 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.025 19.652 -2.078 1.00 0.00 H new ATOM 546 N SER A 39 14.203 16.680 -2.120 1.00 0.00 N ATOM 547 CA SER A 39 15.004 15.467 -2.236 1.00 0.00 C ATOM 548 C SER A 39 14.241 14.381 -2.987 1.00 0.00 C ATOM 549 O SER A 39 13.025 14.240 -2.861 1.00 0.00 O ATOM 550 CB SER A 39 15.402 14.959 -0.848 1.00 0.00 C ATOM 551 OG SER A 39 16.651 14.290 -0.889 1.00 0.00 O ATOM 0 H SER A 39 13.499 16.651 -1.383 1.00 0.00 H new ATOM 0 HA SER A 39 15.905 15.709 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.457 15.797 -0.153 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.635 14.282 -0.471 1.00 0.00 H new ATOM 0 HG SER A 39 17.331 14.839 -0.445 1.00 0.00 H new ATOM 557 N PRO A 40 14.972 13.593 -3.790 1.00 0.00 N ATOM 558 CA PRO A 40 14.386 12.505 -4.578 1.00 0.00 C ATOM 559 C PRO A 40 13.915 11.346 -3.706 1.00 0.00 C ATOM 560 O PRO A 40 14.718 10.691 -3.041 1.00 0.00 O ATOM 561 CB PRO A 40 15.539 12.060 -5.482 1.00 0.00 C ATOM 562 CG PRO A 40 16.772 12.447 -4.740 1.00 0.00 C ATOM 563 CD PRO A 40 16.427 13.703 -3.989 1.00 0.00 C ATOM 0 HA PRO A 40 13.499 12.829 -5.123 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.507 10.986 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.492 12.550 -6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.080 11.656 -4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.602 12.618 -5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.959 13.762 -3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.688 14.596 -4.557 1.00 0.00 H new ATOM 571 N ILE A 41 12.610 11.098 -3.715 1.00 0.00 N ATOM 572 CA ILE A 41 12.033 10.016 -2.926 1.00 0.00 C ATOM 573 C ILE A 41 12.974 8.818 -2.865 1.00 0.00 C ATOM 574 O ILE A 41 13.570 8.432 -3.871 1.00 0.00 O ATOM 575 CB ILE A 41 10.678 9.562 -3.498 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.713 10.747 -3.584 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.087 8.451 -2.643 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.415 11.381 -2.243 1.00 0.00 C ATOM 0 H ILE A 41 11.932 11.631 -4.260 1.00 0.00 H new ATOM 0 HA ILE A 41 11.880 10.406 -1.920 1.00 0.00 H new ATOM 0 HB ILE A 41 10.837 9.173 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.135 11.501 -4.248 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.779 10.412 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.129 8.141 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.769 7.601 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.939 8.814 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.725 12.214 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.964 10.640 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.341 11.746 -1.799 1.00 0.00 H new ATOM 590 N SER A 42 13.102 8.232 -1.679 1.00 0.00 N ATOM 591 CA SER A 42 13.972 7.077 -1.486 1.00 0.00 C ATOM 592 C SER A 42 13.153 5.799 -1.339 1.00 0.00 C ATOM 593 O SER A 42 13.496 4.760 -1.906 1.00 0.00 O ATOM 594 CB SER A 42 14.853 7.277 -0.252 1.00 0.00 C ATOM 595 OG SER A 42 15.583 6.100 0.050 1.00 0.00 O ATOM 0 H SER A 42 12.614 8.538 -0.837 1.00 0.00 H new ATOM 0 HA SER A 42 14.608 6.981 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.543 8.103 -0.424 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.233 7.553 0.601 1.00 0.00 H new ATOM 0 HG SER A 42 16.139 6.254 0.842 1.00 0.00 H new ATOM 601 N CYS A 43 12.070 5.882 -0.575 1.00 0.00 N ATOM 602 CA CYS A 43 11.201 4.732 -0.352 1.00 0.00 C ATOM 603 C CYS A 43 9.805 5.178 0.068 1.00 0.00 C ATOM 604 O CYS A 43 9.637 6.233 0.681 1.00 0.00 O ATOM 605 CB CYS A 43 11.799 3.814 0.716 1.00 0.00 C ATOM 606 SG CYS A 43 13.081 2.700 0.098 1.00 0.00 S ATOM 0 H CYS A 43 11.772 6.734 -0.099 1.00 0.00 H new ATOM 0 HA CYS A 43 11.120 4.182 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.219 4.427 1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.999 3.220 1.159 1.00 0.00 H new ATOM 0 HG CYS A 43 13.735 3.282 -0.863 1.00 0.00 H new ATOM 612 N TYR A 44 8.805 4.370 -0.266 1.00 0.00 N ATOM 613 CA TYR A 44 7.422 4.684 0.072 1.00 0.00 C ATOM 614 C TYR A 44 6.894 3.733 1.143 1.00 0.00 C ATOM 615 O TYR A 44 7.587 2.806 1.561 1.00 0.00 O ATOM 616 CB TYR A 44 6.540 4.606 -1.175 1.00 0.00 C ATOM 617 CG TYR A 44 6.880 5.641 -2.223 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.322 6.912 -2.179 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.761 5.347 -3.257 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.630 7.861 -3.136 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.075 6.290 -4.217 1.00 0.00 C ATOM 622 CZ TYR A 44 7.507 7.545 -4.152 1.00 0.00 C ATOM 623 OH TYR A 44 7.817 8.487 -5.106 1.00 0.00 O ATOM 0 H TYR A 44 8.927 3.492 -0.771 1.00 0.00 H new ATOM 0 HA TYR A 44 7.392 5.700 0.467 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.633 3.613 -1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.498 4.728 -0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.636 7.163 -1.384 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.208 4.365 -3.311 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.186 8.844 -3.088 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.762 6.045 -5.014 1.00 0.00 H new ATOM 0 HH TYR A 44 8.449 8.105 -5.750 1.00 0.00 H new ATOM 633 N SER A 45 5.662 3.972 1.581 1.00 0.00 N ATOM 634 CA SER A 45 5.041 3.140 2.605 1.00 0.00 C ATOM 635 C SER A 45 3.521 3.253 2.548 1.00 0.00 C ATOM 636 O SER A 45 2.966 4.352 2.584 1.00 0.00 O ATOM 637 CB SER A 45 5.542 3.544 3.993 1.00 0.00 C ATOM 638 OG SER A 45 4.854 2.836 5.010 1.00 0.00 O ATOM 0 H SER A 45 5.075 4.734 1.243 1.00 0.00 H new ATOM 0 HA SER A 45 5.318 2.103 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.611 3.347 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.404 4.616 4.135 1.00 0.00 H new ATOM 0 HG SER A 45 5.486 2.578 5.714 1.00 0.00 H new ATOM 644 N VAL A 46 2.852 2.108 2.457 1.00 0.00 N ATOM 645 CA VAL A 46 1.395 2.076 2.396 1.00 0.00 C ATOM 646 C VAL A 46 0.799 1.630 3.726 1.00 0.00 C ATOM 647 O VAL A 46 1.163 0.583 4.260 1.00 0.00 O ATOM 648 CB VAL A 46 0.901 1.134 1.282 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.617 1.038 1.298 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.398 1.608 -0.076 1.00 0.00 C ATOM 0 H VAL A 46 3.296 1.190 2.424 1.00 0.00 H new ATOM 0 HA VAL A 46 1.065 3.091 2.176 1.00 0.00 H new ATOM 0 HB VAL A 46 1.307 0.139 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.948 0.368 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.947 0.649 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.046 2.028 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.040 0.931 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.023 2.613 -0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.488 1.620 -0.081 1.00 0.00 H new ATOM 660 N GLU A 47 -0.121 2.431 4.254 1.00 0.00 N ATOM 661 CA GLU A 47 -0.768 2.118 5.523 1.00 0.00 C ATOM 662 C GLU A 47 -2.252 1.827 5.319 1.00 0.00 C ATOM 663 O GLU A 47 -3.069 2.744 5.240 1.00 0.00 O ATOM 664 CB GLU A 47 -0.594 3.275 6.509 1.00 0.00 C ATOM 665 CG GLU A 47 -1.356 3.086 7.810 1.00 0.00 C ATOM 666 CD GLU A 47 -1.299 4.310 8.703 1.00 0.00 C ATOM 667 OE1 GLU A 47 -2.061 5.266 8.448 1.00 0.00 O ATOM 668 OE2 GLU A 47 -0.493 4.312 9.656 1.00 0.00 O ATOM 0 H GLU A 47 -0.435 3.301 3.823 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.294 1.227 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.466 3.394 6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.925 4.199 6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.397 2.852 7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.945 2.230 8.346 1.00 0.00 H new ATOM 675 N MET A 48 -2.592 0.545 5.235 1.00 0.00 N ATOM 676 CA MET A 48 -3.977 0.133 5.042 1.00 0.00 C ATOM 677 C MET A 48 -4.698 0.005 6.380 1.00 0.00 C ATOM 678 O MET A 48 -4.101 -0.384 7.383 1.00 0.00 O ATOM 679 CB MET A 48 -4.035 -1.197 4.289 1.00 0.00 C ATOM 680 CG MET A 48 -5.437 -1.778 4.188 1.00 0.00 C ATOM 681 SD MET A 48 -5.432 -3.555 3.887 1.00 0.00 S ATOM 682 CE MET A 48 -5.081 -4.176 5.530 1.00 0.00 C ATOM 0 H MET A 48 -1.927 -0.226 5.298 1.00 0.00 H new ATOM 0 HA MET A 48 -4.479 0.899 4.451 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.637 -1.054 3.285 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.387 -1.917 4.789 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.979 -1.571 5.111 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.976 -1.279 3.383 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.376 -5.005 5.463 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.648 -3.380 6.135 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.005 -4.522 5.993 1.00 0.00 H new ATOM 692 N SER A 49 -5.986 0.336 6.387 1.00 0.00 N ATOM 693 CA SER A 49 -6.787 0.262 7.603 1.00 0.00 C ATOM 694 C SER A 49 -8.243 -0.056 7.276 1.00 0.00 C ATOM 695 O SER A 49 -8.846 0.530 6.376 1.00 0.00 O ATOM 696 CB SER A 49 -6.702 1.579 8.376 1.00 0.00 C ATOM 697 OG SER A 49 -7.887 1.814 9.117 1.00 0.00 O ATOM 0 H SER A 49 -6.496 0.658 5.565 1.00 0.00 H new ATOM 0 HA SER A 49 -6.388 -0.541 8.223 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.847 1.553 9.051 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.535 2.402 7.681 1.00 0.00 H new ATOM 0 HG SER A 49 -7.806 2.661 9.603 1.00 0.00 H new ATOM 703 N PRO A 50 -8.823 -1.007 8.023 1.00 0.00 N ATOM 704 CA PRO A 50 -10.215 -1.424 7.832 1.00 0.00 C ATOM 705 C PRO A 50 -11.207 -0.347 8.258 1.00 0.00 C ATOM 706 O PRO A 50 -11.405 -0.109 9.450 1.00 0.00 O ATOM 707 CB PRO A 50 -10.343 -2.655 8.733 1.00 0.00 C ATOM 708 CG PRO A 50 -9.302 -2.466 9.783 1.00 0.00 C ATOM 709 CD PRO A 50 -8.164 -1.747 9.112 1.00 0.00 C ATOM 0 HA PRO A 50 -10.441 -1.620 6.784 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.339 -2.723 9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.177 -3.575 8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.692 -1.885 10.619 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.975 -3.425 10.186 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.651 -1.076 9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.418 -2.444 8.730 1.00 0.00 H new ATOM 717 N ILE A 51 -11.827 0.300 7.277 1.00 0.00 N ATOM 718 CA ILE A 51 -12.800 1.351 7.551 1.00 0.00 C ATOM 719 C ILE A 51 -13.637 1.017 8.781 1.00 0.00 C ATOM 720 O ILE A 51 -13.968 1.897 9.576 1.00 0.00 O ATOM 721 CB ILE A 51 -13.738 1.576 6.351 1.00 0.00 C ATOM 722 CG1 ILE A 51 -15.017 2.286 6.802 1.00 0.00 C ATOM 723 CG2 ILE A 51 -14.069 0.251 5.681 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.642 3.146 5.726 1.00 0.00 C ATOM 0 H ILE A 51 -11.673 0.115 6.286 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.235 2.265 7.736 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.229 2.210 5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.742 1.540 7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.791 2.908 7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.733 0.427 4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.150 -0.219 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.561 -0.406 6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.544 3.618 6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.934 3.915 5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.899 2.525 4.868 1.00 0.00 H new ATOM 736 N GLU A 52 -13.974 -0.260 8.933 1.00 0.00 N ATOM 737 CA GLU A 52 -14.773 -0.709 10.067 1.00 0.00 C ATOM 738 C GLU A 52 -14.134 -0.282 11.385 1.00 0.00 C ATOM 739 O GLU A 52 -14.809 0.226 12.280 1.00 0.00 O ATOM 740 CB GLU A 52 -14.933 -2.231 10.035 1.00 0.00 C ATOM 741 CG GLU A 52 -13.646 -2.972 9.712 1.00 0.00 C ATOM 742 CD GLU A 52 -13.806 -4.478 9.786 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.419 -4.963 10.761 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.319 -5.171 8.869 1.00 0.00 O ATOM 0 H GLU A 52 -13.706 -1.001 8.285 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.757 -0.245 9.993 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.304 -2.569 11.002 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.689 -2.493 9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.312 -2.694 8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.867 -2.659 10.406 1.00 0.00 H new ATOM 751 N LYS A 53 -12.826 -0.491 11.497 1.00 0.00 N ATOM 752 CA LYS A 53 -12.094 -0.128 12.705 1.00 0.00 C ATOM 753 C LYS A 53 -10.758 0.522 12.356 1.00 0.00 C ATOM 754 O LYS A 53 -10.082 0.106 11.415 1.00 0.00 O ATOM 755 CB LYS A 53 -11.859 -1.364 13.575 1.00 0.00 C ATOM 756 CG LYS A 53 -11.769 -2.657 12.784 1.00 0.00 C ATOM 757 CD LYS A 53 -11.291 -3.810 13.651 1.00 0.00 C ATOM 758 CE LYS A 53 -9.775 -3.934 13.626 1.00 0.00 C ATOM 759 NZ LYS A 53 -9.297 -5.063 14.471 1.00 0.00 N ATOM 0 H LYS A 53 -12.251 -0.910 10.766 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.695 0.591 13.262 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.937 -1.229 14.141 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.669 -1.447 14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.746 -2.897 12.365 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.086 -2.524 11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.628 -3.660 14.677 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.739 -4.740 13.301 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.440 -4.081 12.599 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.329 -3.003 13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.462 -5.498 14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.043 -4.707 15.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.051 -5.773 14.560 1.00 0.00 H new ATOM 773 N ASP A 54 -10.385 1.543 13.119 1.00 0.00 N ATOM 774 CA ASP A 54 -9.129 2.249 12.892 1.00 0.00 C ATOM 775 C ASP A 54 -7.940 1.389 13.310 1.00 0.00 C ATOM 776 O ASP A 54 -7.476 1.466 14.447 1.00 0.00 O ATOM 777 CB ASP A 54 -9.115 3.570 13.663 1.00 0.00 C ATOM 778 CG ASP A 54 -7.791 4.297 13.541 1.00 0.00 C ATOM 779 OD1 ASP A 54 -7.381 4.596 12.400 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.163 4.566 14.587 1.00 0.00 O ATOM 0 H ASP A 54 -10.934 1.901 13.900 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.046 2.459 11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.914 4.212 13.293 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.324 3.376 14.715 1.00 0.00 H new ATOM 785 N GLU A 55 -7.453 0.571 12.382 1.00 0.00 N ATOM 786 CA GLU A 55 -6.319 -0.304 12.656 1.00 0.00 C ATOM 787 C GLU A 55 -5.274 -0.203 11.548 1.00 0.00 C ATOM 788 O GLU A 55 -5.013 -1.159 10.817 1.00 0.00 O ATOM 789 CB GLU A 55 -6.788 -1.754 12.799 1.00 0.00 C ATOM 790 CG GLU A 55 -5.770 -2.658 13.473 1.00 0.00 C ATOM 791 CD GLU A 55 -6.277 -4.077 13.649 1.00 0.00 C ATOM 792 OE1 GLU A 55 -6.956 -4.582 12.730 1.00 0.00 O ATOM 793 OE2 GLU A 55 -5.996 -4.681 14.705 1.00 0.00 O ATOM 0 H GLU A 55 -7.825 0.496 11.435 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.863 0.017 13.593 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.714 -1.773 13.373 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.017 -2.152 11.811 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.855 -2.674 12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.512 -2.245 14.448 1.00 0.00 H new ATOM 800 N PRO A 56 -4.661 0.983 11.419 1.00 0.00 N ATOM 801 CA PRO A 56 -3.636 1.239 10.404 1.00 0.00 C ATOM 802 C PRO A 56 -2.338 0.489 10.689 1.00 0.00 C ATOM 803 O PRO A 56 -1.932 0.350 11.843 1.00 0.00 O ATOM 804 CB PRO A 56 -3.412 2.750 10.498 1.00 0.00 C ATOM 805 CG PRO A 56 -3.807 3.106 11.890 1.00 0.00 C ATOM 806 CD PRO A 56 -4.923 2.167 12.256 1.00 0.00 C ATOM 0 HA PRO A 56 -3.948 0.902 9.416 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.371 3.009 10.303 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.016 3.286 9.766 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.966 2.998 12.574 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.135 4.144 11.949 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.908 1.920 13.318 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.900 2.601 12.043 1.00 0.00 H new ATOM 814 N ARG A 57 -1.693 0.009 9.631 1.00 0.00 N ATOM 815 CA ARG A 57 -0.442 -0.727 9.769 1.00 0.00 C ATOM 816 C ARG A 57 0.334 -0.731 8.455 1.00 0.00 C ATOM 817 O ARG A 57 -0.244 -0.561 7.382 1.00 0.00 O ATOM 818 CB ARG A 57 -0.718 -2.165 10.214 1.00 0.00 C ATOM 819 CG ARG A 57 -1.127 -3.087 9.077 1.00 0.00 C ATOM 820 CD ARG A 57 -2.554 -2.817 8.628 1.00 0.00 C ATOM 821 NE ARG A 57 -3.522 -3.625 9.364 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.810 -4.886 9.061 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.206 -5.480 8.040 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.702 -5.556 9.779 1.00 0.00 N ATOM 0 H ARG A 57 -2.016 0.116 8.669 1.00 0.00 H new ATOM 0 HA ARG A 57 0.162 -0.228 10.527 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.176 -2.566 10.692 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.506 -2.158 10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.448 -2.952 8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.035 -4.125 9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.784 -1.761 8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.644 -3.025 7.562 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.004 -3.198 10.155 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.519 -4.968 7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.429 -6.448 7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.168 -5.103 10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.922 -6.524 9.545 1.00 0.00 H new ATOM 838 N GLU A 58 1.646 -0.924 8.549 1.00 0.00 N ATOM 839 CA GLU A 58 2.500 -0.947 7.367 1.00 0.00 C ATOM 840 C GLU A 58 2.311 -2.244 6.585 1.00 0.00 C ATOM 841 O GLU A 58 2.838 -3.291 6.960 1.00 0.00 O ATOM 842 CB GLU A 58 3.968 -0.791 7.769 1.00 0.00 C ATOM 843 CG GLU A 58 4.944 -1.165 6.666 1.00 0.00 C ATOM 844 CD GLU A 58 6.376 -1.249 7.158 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.840 -0.284 7.801 1.00 0.00 O ATOM 846 OE2 GLU A 58 7.033 -2.279 6.900 1.00 0.00 O ATOM 0 H GLU A 58 2.140 -1.066 9.430 1.00 0.00 H new ATOM 0 HA GLU A 58 2.215 -0.112 6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.147 0.242 8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.165 -1.412 8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.654 -2.125 6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.881 -0.428 5.865 1.00 0.00 H new ATOM 853 N VAL A 59 1.553 -2.165 5.495 1.00 0.00 N ATOM 854 CA VAL A 59 1.294 -3.331 4.659 1.00 0.00 C ATOM 855 C VAL A 59 2.266 -3.393 3.486 1.00 0.00 C ATOM 856 O VAL A 59 2.305 -4.379 2.750 1.00 0.00 O ATOM 857 CB VAL A 59 -0.148 -3.323 4.117 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.149 -3.299 5.262 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.361 -2.138 3.186 1.00 0.00 C ATOM 0 H VAL A 59 1.108 -1.306 5.171 1.00 0.00 H new ATOM 0 HA VAL A 59 1.433 -4.210 5.289 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.308 -4.238 3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.162 -3.294 4.860 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.011 -4.183 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.993 -2.403 5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.385 -2.148 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.183 -1.211 3.731 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.332 -2.205 2.347 1.00 0.00 H new ATOM 869 N TYR A 60 3.049 -2.333 3.317 1.00 0.00 N ATOM 870 CA TYR A 60 4.020 -2.266 2.232 1.00 0.00 C ATOM 871 C TYR A 60 5.064 -1.186 2.501 1.00 0.00 C ATOM 872 O TYR A 60 4.794 -0.209 3.199 1.00 0.00 O ATOM 873 CB TYR A 60 3.314 -1.990 0.904 1.00 0.00 C ATOM 874 CG TYR A 60 4.232 -2.056 -0.296 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.596 -3.278 -0.849 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.737 -0.899 -0.875 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.436 -3.344 -1.945 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.575 -0.955 -1.971 1.00 0.00 C ATOM 879 CZ TYR A 60 5.922 -2.180 -2.502 1.00 0.00 C ATOM 880 OH TYR A 60 6.758 -2.241 -3.593 1.00 0.00 O ATOM 0 H TYR A 60 3.030 -1.509 3.918 1.00 0.00 H new ATOM 0 HA TYR A 60 4.527 -3.229 2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.508 -2.712 0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.854 -1.003 0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.216 -4.191 -0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.469 0.062 -0.461 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.710 -4.302 -2.363 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.957 -0.045 -2.410 1.00 0.00 H new ATOM 0 HH TYR A 60 6.223 -2.289 -4.413 1.00 0.00 H new ATOM 890 N GLN A 61 6.254 -1.370 1.940 1.00 0.00 N ATOM 891 CA GLN A 61 7.339 -0.411 2.119 1.00 0.00 C ATOM 892 C GLN A 61 8.538 -0.778 1.251 1.00 0.00 C ATOM 893 O GLN A 61 9.248 -1.743 1.532 1.00 0.00 O ATOM 894 CB GLN A 61 7.757 -0.351 3.589 1.00 0.00 C ATOM 895 CG GLN A 61 8.697 0.801 3.908 1.00 0.00 C ATOM 896 CD GLN A 61 8.952 0.951 5.394 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.819 0.282 5.958 1.00 0.00 O ATOM 898 NE2 GLN A 61 8.198 1.834 6.038 1.00 0.00 N ATOM 0 H GLN A 61 6.492 -2.173 1.358 1.00 0.00 H new ATOM 0 HA GLN A 61 6.978 0.570 1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.865 -0.263 4.209 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.241 -1.289 3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.646 0.644 3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.274 1.728 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.491 2.367 5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.326 1.979 7.039 1.00 0.00 H new ATOM 907 N GLY A 62 8.758 -0.001 0.195 1.00 0.00 N ATOM 908 CA GLY A 62 9.872 -0.261 -0.699 1.00 0.00 C ATOM 909 C GLY A 62 10.252 0.955 -1.520 1.00 0.00 C ATOM 910 O GLY A 62 10.136 2.088 -1.054 1.00 0.00 O ATOM 0 H GLY A 62 8.185 0.804 -0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.734 -0.586 -0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.613 -1.081 -1.369 1.00 0.00 H new ATOM 914 N SER A 63 10.710 0.720 -2.745 1.00 0.00 N ATOM 915 CA SER A 63 11.115 1.805 -3.631 1.00 0.00 C ATOM 916 C SER A 63 10.161 1.922 -4.817 1.00 0.00 C ATOM 917 O SER A 63 10.144 2.936 -5.514 1.00 0.00 O ATOM 918 CB SER A 63 12.543 1.578 -4.131 1.00 0.00 C ATOM 919 OG SER A 63 12.611 0.449 -4.985 1.00 0.00 O ATOM 0 H SER A 63 10.810 -0.212 -3.147 1.00 0.00 H new ATOM 0 HA SER A 63 11.080 2.736 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.890 2.463 -4.665 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.211 1.436 -3.281 1.00 0.00 H new ATOM 0 HG SER A 63 13.533 0.326 -5.292 1.00 0.00 H new ATOM 925 N GLU A 64 9.370 0.877 -5.037 1.00 0.00 N ATOM 926 CA GLU A 64 8.414 0.863 -6.138 1.00 0.00 C ATOM 927 C GLU A 64 7.152 1.639 -5.774 1.00 0.00 C ATOM 928 O GLU A 64 6.995 2.095 -4.641 1.00 0.00 O ATOM 929 CB GLU A 64 8.052 -0.577 -6.510 1.00 0.00 C ATOM 930 CG GLU A 64 8.990 -1.196 -7.532 1.00 0.00 C ATOM 931 CD GLU A 64 8.331 -2.302 -8.334 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.842 -3.271 -7.717 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.306 -2.198 -9.578 1.00 0.00 O ATOM 0 H GLU A 64 9.372 0.030 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 64 8.881 1.346 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.057 -1.189 -5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.036 -0.597 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.344 -0.421 -8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.866 -1.595 -7.021 1.00 0.00 H new ATOM 940 N VAL A 65 6.253 1.784 -6.742 1.00 0.00 N ATOM 941 CA VAL A 65 5.004 2.504 -6.525 1.00 0.00 C ATOM 942 C VAL A 65 3.801 1.587 -6.718 1.00 0.00 C ATOM 943 O VAL A 65 2.672 2.053 -6.867 1.00 0.00 O ATOM 944 CB VAL A 65 4.876 3.708 -7.476 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.077 4.631 -7.334 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.724 3.236 -8.915 1.00 0.00 C ATOM 0 H VAL A 65 6.367 1.412 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 65 5.022 2.865 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 65 3.982 4.270 -7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.969 5.476 -8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.136 4.996 -6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.987 4.084 -7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.635 4.100 -9.574 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.598 2.651 -9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.830 2.619 -9.003 1.00 0.00 H new ATOM 956 N GLU A 66 4.051 0.282 -6.713 1.00 0.00 N ATOM 957 CA GLU A 66 2.988 -0.700 -6.889 1.00 0.00 C ATOM 958 C GLU A 66 3.259 -1.950 -6.057 1.00 0.00 C ATOM 959 O GLU A 66 4.406 -2.374 -5.909 1.00 0.00 O ATOM 960 CB GLU A 66 2.849 -1.077 -8.365 1.00 0.00 C ATOM 961 CG GLU A 66 4.163 -1.472 -9.018 1.00 0.00 C ATOM 962 CD GLU A 66 3.971 -2.076 -10.396 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.211 -3.060 -10.512 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.581 -1.565 -11.358 1.00 0.00 O ATOM 0 H GLU A 66 4.980 -0.120 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 66 2.055 -0.252 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.145 -1.904 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.422 -0.234 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.804 -0.594 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.681 -2.189 -8.380 1.00 0.00 H new ATOM 971 N CYS A 67 2.196 -2.536 -5.516 1.00 0.00 N ATOM 972 CA CYS A 67 2.319 -3.737 -4.697 1.00 0.00 C ATOM 973 C CYS A 67 0.975 -4.446 -4.568 1.00 0.00 C ATOM 974 O CYS A 67 -0.027 -4.012 -5.138 1.00 0.00 O ATOM 975 CB CYS A 67 2.857 -3.381 -3.310 1.00 0.00 C ATOM 976 SG CYS A 67 1.586 -2.847 -2.140 1.00 0.00 S ATOM 0 H CYS A 67 1.240 -2.199 -5.630 1.00 0.00 H new ATOM 0 HA CYS A 67 3.020 -4.412 -5.188 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.373 -4.249 -2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.598 -2.588 -3.412 1.00 0.00 H new ATOM 0 HG CYS A 67 2.127 -2.103 -1.221 1.00 0.00 H new ATOM 982 N THR A 68 0.959 -5.542 -3.816 1.00 0.00 N ATOM 983 CA THR A 68 -0.260 -6.314 -3.614 1.00 0.00 C ATOM 984 C THR A 68 -0.475 -6.626 -2.138 1.00 0.00 C ATOM 985 O THR A 68 0.387 -7.214 -1.485 1.00 0.00 O ATOM 986 CB THR A 68 -0.227 -7.634 -4.407 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.138 -7.361 -5.810 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.470 -8.466 -4.125 1.00 0.00 C ATOM 0 H THR A 68 1.778 -5.915 -3.336 1.00 0.00 H new ATOM 0 HA THR A 68 -1.086 -5.702 -3.977 1.00 0.00 H new ATOM 0 HB THR A 68 0.649 -8.200 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.116 -8.205 -6.307 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.424 -9.393 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.519 -8.697 -3.061 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.358 -7.904 -4.416 1.00 0.00 H new ATOM 996 N VAL A 69 -1.632 -6.230 -1.616 1.00 0.00 N ATOM 997 CA VAL A 69 -1.961 -6.470 -0.216 1.00 0.00 C ATOM 998 C VAL A 69 -2.664 -7.811 -0.039 1.00 0.00 C ATOM 999 O VAL A 69 -3.214 -8.366 -0.990 1.00 0.00 O ATOM 1000 CB VAL A 69 -2.860 -5.354 0.348 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -2.847 -5.374 1.869 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.419 -3.997 -0.179 1.00 0.00 C ATOM 0 H VAL A 69 -2.357 -5.742 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.020 -6.481 0.333 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.882 -5.533 0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.488 -4.578 2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.215 -6.337 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.829 -5.221 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.065 -3.220 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.389 -3.807 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.487 -3.990 -1.267 1.00 0.00 H new ATOM 1012 N SER A 70 -2.641 -8.327 1.186 1.00 0.00 N ATOM 1013 CA SER A 70 -3.273 -9.606 1.488 1.00 0.00 C ATOM 1014 C SER A 70 -3.729 -9.656 2.943 1.00 0.00 C ATOM 1015 O SER A 70 -3.602 -8.678 3.679 1.00 0.00 O ATOM 1016 CB SER A 70 -2.305 -10.757 1.206 1.00 0.00 C ATOM 1017 OG SER A 70 -1.396 -10.933 2.278 1.00 0.00 O ATOM 0 H SER A 70 -2.192 -7.879 1.985 1.00 0.00 H new ATOM 0 HA SER A 70 -4.148 -9.711 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.866 -11.678 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.754 -10.556 0.287 1.00 0.00 H new ATOM 0 HG SER A 70 -0.790 -11.675 2.074 1.00 0.00 H new ATOM 1023 N SER A 71 -4.261 -10.804 3.351 1.00 0.00 N ATOM 1024 CA SER A 71 -4.740 -10.982 4.717 1.00 0.00 C ATOM 1025 C SER A 71 -5.922 -10.060 5.003 1.00 0.00 C ATOM 1026 O SER A 71 -6.026 -9.483 6.086 1.00 0.00 O ATOM 1027 CB SER A 71 -3.613 -10.710 5.715 1.00 0.00 C ATOM 1028 OG SER A 71 -3.867 -11.344 6.956 1.00 0.00 O ATOM 0 H SER A 71 -4.371 -11.625 2.755 1.00 0.00 H new ATOM 0 HA SER A 71 -5.072 -12.014 4.828 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.668 -11.068 5.307 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.509 -9.636 5.867 1.00 0.00 H new ATOM 0 HG SER A 71 -4.738 -11.054 7.299 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.809 -9.925 4.024 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.985 -9.073 4.168 1.00 0.00 C ATOM 1036 C LEU A 72 -9.266 -9.899 4.118 1.00 0.00 C ATOM 1037 O LEU A 72 -9.240 -11.084 3.782 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.006 -8.010 3.069 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.649 -7.432 2.667 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.794 -6.513 1.464 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -6.020 -6.687 3.836 1.00 0.00 C ATOM 0 H LEU A 72 -6.737 -10.394 3.121 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.930 -8.581 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.471 -8.442 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.645 -7.190 3.397 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.992 -8.257 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.818 -6.111 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.201 -7.075 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.468 -5.693 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.055 -6.282 3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.675 -5.872 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.879 -7.373 4.671 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.385 -9.266 4.450 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.678 -9.942 4.440 1.00 0.00 C ATOM 1055 C LEU A 73 -12.475 -9.574 3.193 1.00 0.00 C ATOM 1056 O LEU A 73 -12.560 -8.410 2.801 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.475 -9.578 5.694 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.779 -9.839 7.031 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.555 -9.197 8.171 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.620 -11.333 7.267 1.00 0.00 C ATOM 0 H LEU A 73 -10.424 -8.286 4.730 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.498 -11.017 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.733 -8.520 5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.411 -10.136 5.680 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.787 -9.390 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.045 -9.393 9.114 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.616 -8.121 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.560 -9.616 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.123 -11.500 8.223 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.602 -11.806 7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.021 -11.766 6.466 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.077 -10.588 2.555 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.881 -10.396 1.344 1.00 0.00 C ATOM 1074 C PRO A 74 -15.191 -9.668 1.627 1.00 0.00 C ATOM 1075 O PRO A 74 -15.701 -9.700 2.746 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.155 -11.825 0.870 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.060 -12.658 2.101 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.020 -12.001 2.966 1.00 0.00 C ATOM 0 HA PRO A 74 -13.367 -9.779 0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.140 -11.908 0.411 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.428 -12.140 0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.020 -12.707 2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.776 -13.682 1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.245 -12.121 4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.031 -12.428 2.800 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.732 -9.012 0.605 1.00 0.00 N ATOM 1087 CA GLY A 75 -16.978 -8.286 0.765 1.00 0.00 C ATOM 1088 C GLY A 75 -16.889 -7.210 1.828 1.00 0.00 C ATOM 1089 O GLY A 75 -17.902 -6.806 2.400 1.00 0.00 O ATOM 0 H GLY A 75 -15.329 -8.970 -0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.255 -7.831 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.772 -8.986 1.026 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.674 -6.744 2.096 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.455 -5.708 3.098 1.00 0.00 C ATOM 1095 C LYS A 76 -14.585 -4.586 2.540 1.00 0.00 C ATOM 1096 O LYS A 76 -13.669 -4.829 1.753 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.798 -6.305 4.345 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.711 -7.230 5.130 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.609 -6.454 6.079 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.954 -6.270 7.440 1.00 0.00 C ATOM 1101 NZ LYS A 76 -16.045 -7.503 8.270 1.00 0.00 N ATOM 0 H LYS A 76 -14.825 -7.068 1.633 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.425 -5.291 3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.906 -6.856 4.047 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.470 -5.495 4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.324 -7.809 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.110 -7.941 5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.838 -5.479 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.556 -6.980 6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.907 -5.999 7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.432 -5.443 7.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.588 -7.337 9.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.045 -7.748 8.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.566 -8.286 7.781 1.00 0.00 H new ATOM 1115 N THR A 77 -14.875 -3.356 2.954 1.00 0.00 N ATOM 1116 CA THR A 77 -14.120 -2.197 2.495 1.00 0.00 C ATOM 1117 C THR A 77 -12.890 -1.964 3.365 1.00 0.00 C ATOM 1118 O THR A 77 -12.840 -2.400 4.516 1.00 0.00 O ATOM 1119 CB THR A 77 -14.986 -0.924 2.499 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.149 -1.120 1.686 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.197 0.270 1.984 1.00 0.00 C ATOM 0 H THR A 77 -15.628 -3.137 3.607 1.00 0.00 H new ATOM 0 HA THR A 77 -13.805 -2.409 1.473 1.00 0.00 H new ATOM 0 HB THR A 77 -15.290 -0.722 3.526 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.695 -0.307 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.830 1.157 1.996 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.329 0.435 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.866 0.075 0.964 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.901 -1.274 2.810 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.669 -0.984 3.535 1.00 0.00 C ATOM 1131 C TYR A 78 -10.071 0.346 3.084 1.00 0.00 C ATOM 1132 O TYR A 78 -9.907 0.591 1.889 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.654 -2.109 3.329 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.958 -3.354 4.131 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -11.008 -4.192 3.778 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.195 -3.692 5.242 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.290 -5.330 4.509 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.469 -4.828 5.978 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.517 -5.644 5.607 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.794 -6.778 6.337 1.00 0.00 O ATOM 0 H TYR A 78 -11.928 -0.904 1.860 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.910 -0.912 4.596 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.621 -2.368 2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.662 -1.746 3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.614 -3.950 2.918 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.373 -3.055 5.535 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.111 -5.970 4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.866 -5.076 6.839 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.156 -6.855 7.077 1.00 0.00 H new ATOM 1150 N SER A 79 -9.748 1.199 4.050 1.00 0.00 N ATOM 1151 CA SER A 79 -9.171 2.505 3.754 1.00 0.00 C ATOM 1152 C SER A 79 -7.654 2.412 3.620 1.00 0.00 C ATOM 1153 O SER A 79 -6.948 2.147 4.594 1.00 0.00 O ATOM 1154 CB SER A 79 -9.536 3.509 4.849 1.00 0.00 C ATOM 1155 OG SER A 79 -8.564 3.515 5.880 1.00 0.00 O ATOM 0 H SER A 79 -9.876 1.010 5.044 1.00 0.00 H new ATOM 0 HA SER A 79 -9.582 2.848 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.620 4.507 4.418 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.511 3.258 5.266 1.00 0.00 H new ATOM 0 HG SER A 79 -8.029 2.695 5.830 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.158 2.630 2.407 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.725 2.569 2.144 1.00 0.00 C ATOM 1163 C PHE A 80 -5.121 3.970 2.098 1.00 0.00 C ATOM 1164 O PHE A 80 -5.822 4.952 1.858 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.457 1.842 0.825 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.827 0.387 0.856 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.113 -0.022 0.541 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.889 -0.573 1.201 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.456 -1.360 0.570 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.226 -1.913 1.232 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.511 -2.307 0.915 1.00 0.00 C ATOM 0 H PHE A 80 -7.727 2.851 1.590 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.255 2.016 2.957 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.016 2.334 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.400 1.934 0.577 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.856 0.714 0.270 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.882 -0.270 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.462 -1.665 0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.486 -2.651 1.504 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.777 -3.354 0.937 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.815 4.052 2.330 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.116 5.331 2.317 1.00 0.00 C ATOM 1183 C ARG A 81 -1.756 5.201 1.637 1.00 0.00 C ATOM 1184 O ARG A 81 -1.364 4.113 1.213 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.936 5.853 3.743 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.187 5.732 4.598 1.00 0.00 C ATOM 1187 CD ARG A 81 -5.057 6.974 4.492 1.00 0.00 C ATOM 1188 NE ARG A 81 -4.653 8.008 5.441 1.00 0.00 N ATOM 1189 CZ ARG A 81 -5.201 9.218 5.488 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -6.170 9.543 4.644 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -4.779 10.104 6.380 1.00 0.00 N ATOM 0 H ARG A 81 -3.220 3.248 2.529 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.720 6.040 1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.124 5.305 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.634 6.899 3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.759 4.858 4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.904 5.573 5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.001 7.370 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.098 6.704 4.671 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.909 7.790 6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.497 8.864 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.589 10.472 4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.033 9.857 7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.200 11.032 6.415 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.042 6.316 1.535 1.00 0.00 N ATOM 1206 CA LEU A 82 0.274 6.327 0.906 1.00 0.00 C ATOM 1207 C LEU A 82 1.143 7.442 1.480 1.00 0.00 C ATOM 1208 O LEU A 82 0.667 8.553 1.718 1.00 0.00 O ATOM 1209 CB LEU A 82 0.137 6.501 -0.608 1.00 0.00 C ATOM 1210 CG LEU A 82 1.427 6.808 -1.368 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.412 5.657 -1.234 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.128 7.088 -2.834 1.00 0.00 C ATOM 0 H LEU A 82 -1.352 7.225 1.880 1.00 0.00 H new ATOM 0 HA LEU A 82 0.756 5.372 1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.296 5.590 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.573 7.306 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 82 1.879 7.699 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.324 5.893 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.650 5.502 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.968 4.749 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.058 7.305 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.653 6.215 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.459 7.945 -2.912 1.00 0.00 H new ATOM 1224 N ARG A 83 2.419 7.140 1.697 1.00 0.00 N ATOM 1225 CA ARG A 83 3.354 8.117 2.242 1.00 0.00 C ATOM 1226 C ARG A 83 4.765 7.871 1.715 1.00 0.00 C ATOM 1227 O ARG A 83 5.226 6.732 1.657 1.00 0.00 O ATOM 1228 CB ARG A 83 3.351 8.059 3.770 1.00 0.00 C ATOM 1229 CG ARG A 83 4.040 6.828 4.335 1.00 0.00 C ATOM 1230 CD ARG A 83 4.232 6.937 5.839 1.00 0.00 C ATOM 1231 NE ARG A 83 4.552 5.648 6.446 1.00 0.00 N ATOM 1232 CZ ARG A 83 4.834 5.491 7.734 1.00 0.00 C ATOM 1233 NH1 ARG A 83 4.835 6.538 8.548 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.116 4.286 8.212 1.00 0.00 N ATOM 0 H ARG A 83 2.829 6.226 1.504 1.00 0.00 H new ATOM 0 HA ARG A 83 3.033 9.108 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.842 8.951 4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.320 8.082 4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.448 5.942 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.009 6.698 3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.032 7.646 6.052 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.324 7.335 6.292 1.00 0.00 H new ATOM 0 HE ARG A 83 4.559 4.822 5.847 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.619 7.466 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.052 6.415 9.537 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.117 3.478 7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.332 4.168 9.202 1.00 0.00 H new ATOM 1248 N ALA A 84 5.443 8.947 1.332 1.00 0.00 N ATOM 1249 CA ALA A 84 6.801 8.849 0.812 1.00 0.00 C ATOM 1250 C ALA A 84 7.819 9.339 1.837 1.00 0.00 C ATOM 1251 O ALA A 84 7.478 10.080 2.759 1.00 0.00 O ATOM 1252 CB ALA A 84 6.930 9.640 -0.482 1.00 0.00 C ATOM 0 H ALA A 84 5.074 9.897 1.372 1.00 0.00 H new ATOM 0 HA ALA A 84 7.009 7.799 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.950 9.558 -0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.236 9.242 -1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.697 10.688 -0.293 1.00 0.00 H new ATOM 1258 N ALA A 85 9.069 8.921 1.670 1.00 0.00 N ATOM 1259 CA ALA A 85 10.136 9.319 2.580 1.00 0.00 C ATOM 1260 C ALA A 85 11.374 9.768 1.811 1.00 0.00 C ATOM 1261 O ALA A 85 11.559 9.408 0.649 1.00 0.00 O ATOM 1262 CB ALA A 85 10.483 8.174 3.519 1.00 0.00 C ATOM 0 H ALA A 85 9.368 8.307 0.913 1.00 0.00 H new ATOM 0 HA ALA A 85 9.780 10.164 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.281 8.485 4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.603 7.901 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.814 7.314 2.937 1.00 0.00 H new ATOM 1268 N ASN A 86 12.218 10.558 2.467 1.00 0.00 N ATOM 1269 CA ASN A 86 13.439 11.057 1.844 1.00 0.00 C ATOM 1270 C ASN A 86 14.538 11.257 2.884 1.00 0.00 C ATOM 1271 O ASN A 86 14.337 11.005 4.072 1.00 0.00 O ATOM 1272 CB ASN A 86 13.163 12.375 1.118 1.00 0.00 C ATOM 1273 CG ASN A 86 12.519 13.409 2.021 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.446 13.229 3.237 1.00 0.00 O ATOM 1275 ND2 ASN A 86 12.049 14.501 1.429 1.00 0.00 N ATOM 0 H ASN A 86 12.079 10.866 3.429 1.00 0.00 H new ATOM 0 HA ASN A 86 13.778 10.315 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.098 12.773 0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.512 12.187 0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.606 15.232 1.985 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.131 14.608 0.418 1.00 0.00 H new ATOM 1282 N LYS A 87 15.699 11.712 2.428 1.00 0.00 N ATOM 1283 CA LYS A 87 16.831 11.949 3.317 1.00 0.00 C ATOM 1284 C LYS A 87 16.360 12.477 4.668 1.00 0.00 C ATOM 1285 O LYS A 87 16.975 12.206 5.699 1.00 0.00 O ATOM 1286 CB LYS A 87 17.807 12.942 2.681 1.00 0.00 C ATOM 1287 CG LYS A 87 17.159 14.254 2.272 1.00 0.00 C ATOM 1288 CD LYS A 87 18.195 15.344 2.057 1.00 0.00 C ATOM 1289 CE LYS A 87 17.544 16.664 1.674 1.00 0.00 C ATOM 1290 NZ LYS A 87 18.349 17.832 2.129 1.00 0.00 N ATOM 0 H LYS A 87 15.882 11.924 1.447 1.00 0.00 H new ATOM 0 HA LYS A 87 17.341 10.999 3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.613 13.148 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.261 12.481 1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.587 14.108 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.454 14.568 3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.780 15.476 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.889 15.039 1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.420 16.708 0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.547 16.718 2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.827 18.347 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.256 17.500 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.527 18.466 1.324 1.00 0.00 H new ATOM 1304 N MET A 88 15.265 13.230 4.655 1.00 0.00 N ATOM 1305 CA MET A 88 14.711 13.793 5.881 1.00 0.00 C ATOM 1306 C MET A 88 13.913 12.744 6.649 1.00 0.00 C ATOM 1307 O MET A 88 14.258 12.390 7.776 1.00 0.00 O ATOM 1308 CB MET A 88 13.820 14.994 5.559 1.00 0.00 C ATOM 1309 CG MET A 88 14.523 16.074 4.754 1.00 0.00 C ATOM 1310 SD MET A 88 15.794 16.931 5.704 1.00 0.00 S ATOM 1311 CE MET A 88 17.269 16.093 5.130 1.00 0.00 C ATOM 0 H MET A 88 14.744 13.464 3.810 1.00 0.00 H new ATOM 0 HA MET A 88 15.540 14.123 6.507 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.947 14.650 5.005 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.456 15.426 6.491 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.976 15.626 3.870 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.787 16.798 4.403 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.913 15.867 5.980 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.989 15.165 4.630 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.803 16.735 4.430 1.00 0.00 H new ATOM 1321 N GLY A 89 12.845 12.250 6.031 1.00 0.00 N ATOM 1322 CA GLY A 89 12.015 11.246 6.672 1.00 0.00 C ATOM 1323 C GLY A 89 10.688 11.053 5.965 1.00 0.00 C ATOM 1324 O GLY A 89 10.433 11.669 4.930 1.00 0.00 O ATOM 0 H GLY A 89 12.539 12.527 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.551 10.297 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.833 11.536 7.707 1.00 0.00 H new ATOM 1328 N PHE A 90 9.842 10.194 6.523 1.00 0.00 N ATOM 1329 CA PHE A 90 8.535 9.920 5.937 1.00 0.00 C ATOM 1330 C PHE A 90 7.578 11.085 6.171 1.00 0.00 C ATOM 1331 O PHE A 90 7.507 11.633 7.270 1.00 0.00 O ATOM 1332 CB PHE A 90 7.947 8.636 6.528 1.00 0.00 C ATOM 1333 CG PHE A 90 8.520 7.384 5.930 1.00 0.00 C ATOM 1334 CD1 PHE A 90 9.755 6.907 6.338 1.00 0.00 C ATOM 1335 CD2 PHE A 90 7.823 6.683 4.959 1.00 0.00 C ATOM 1336 CE1 PHE A 90 10.284 5.755 5.788 1.00 0.00 C ATOM 1337 CE2 PHE A 90 8.347 5.530 4.405 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.579 5.064 4.822 1.00 0.00 C ATOM 0 H PHE A 90 10.038 9.676 7.380 1.00 0.00 H new ATOM 0 HA PHE A 90 8.666 9.791 4.863 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.121 8.628 7.604 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.867 8.639 6.380 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.311 7.441 7.094 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.859 7.042 4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.249 5.395 6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.794 4.994 3.647 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.990 4.162 4.394 1.00 0.00 H new ATOM 1348 N GLY A 91 6.844 11.459 5.127 1.00 0.00 N ATOM 1349 CA GLY A 91 5.902 12.557 5.238 1.00 0.00 C ATOM 1350 C GLY A 91 4.505 12.089 5.598 1.00 0.00 C ATOM 1351 O GLY A 91 4.299 10.955 6.029 1.00 0.00 O ATOM 0 H GLY A 91 6.885 11.021 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.253 13.258 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.868 13.099 4.293 1.00 0.00 H new ATOM 1355 N PRO A 92 3.516 12.978 5.422 1.00 0.00 N ATOM 1356 CA PRO A 92 2.114 12.672 5.725 1.00 0.00 C ATOM 1357 C PRO A 92 1.516 11.665 4.750 1.00 0.00 C ATOM 1358 O PRO A 92 2.008 11.499 3.633 1.00 0.00 O ATOM 1359 CB PRO A 92 1.418 14.028 5.588 1.00 0.00 C ATOM 1360 CG PRO A 92 2.279 14.803 4.651 1.00 0.00 C ATOM 1361 CD PRO A 92 3.688 14.348 4.912 1.00 0.00 C ATOM 0 HA PRO A 92 2.000 12.216 6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.407 13.916 5.196 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.332 14.528 6.553 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.994 14.617 3.615 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.177 15.875 4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.291 14.366 4.004 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.188 14.987 5.639 1.00 0.00 H new ATOM 1369 N PHE A 93 0.452 10.994 5.178 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.214 10.001 4.342 1.00 0.00 C ATOM 1371 C PHE A 93 -1.200 10.668 3.387 1.00 0.00 C ATOM 1372 O PHE A 93 -1.672 11.776 3.639 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.943 8.976 5.212 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.099 7.789 5.575 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.123 6.773 4.659 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.473 7.687 6.833 1.00 0.00 C ATOM 1377 CE1 PHE A 93 0.900 5.679 4.989 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.251 6.596 7.169 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.464 5.590 6.247 1.00 0.00 C ATOM 0 H PHE A 93 0.032 11.120 6.099 1.00 0.00 H new ATOM 0 HA PHE A 93 0.547 9.490 3.752 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.283 9.463 6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.833 8.631 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.317 6.837 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.309 8.469 7.559 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.066 4.895 4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.693 6.530 8.152 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.070 4.735 6.509 1.00 0.00 H new ATOM 1389 N SER A 94 -1.505 9.985 2.288 1.00 0.00 N ATOM 1390 CA SER A 94 -2.430 10.511 1.292 1.00 0.00 C ATOM 1391 C SER A 94 -3.876 10.339 1.750 1.00 0.00 C ATOM 1392 O SER A 94 -4.135 9.902 2.870 1.00 0.00 O ATOM 1393 CB SER A 94 -2.221 9.810 -0.051 1.00 0.00 C ATOM 1394 OG SER A 94 -2.696 8.475 -0.008 1.00 0.00 O ATOM 0 H SER A 94 -1.124 9.065 2.065 1.00 0.00 H new ATOM 0 HA SER A 94 -2.229 11.576 1.172 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.740 10.359 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.161 9.814 -0.306 1.00 0.00 H new ATOM 0 HG SER A 94 -3.663 8.467 -0.167 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.813 10.687 0.873 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.232 10.572 1.187 1.00 0.00 C ATOM 1402 C GLU A 95 -6.647 9.108 1.299 1.00 0.00 C ATOM 1403 O GLU A 95 -6.218 8.266 0.510 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.072 11.270 0.116 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.810 12.764 0.016 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.870 13.489 -0.792 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -9.043 13.490 -0.367 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -7.524 14.055 -1.850 1.00 0.00 O ATOM 0 H GLU A 95 -4.615 11.050 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.406 11.056 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.870 10.809 -0.851 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.128 11.108 0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.768 13.190 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.834 12.928 -0.441 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.485 8.811 2.287 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.960 7.449 2.505 1.00 0.00 C ATOM 1417 C LYS A 96 -8.901 7.016 1.385 1.00 0.00 C ATOM 1418 O LYS A 96 -10.003 7.549 1.247 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.674 7.346 3.854 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.732 8.416 4.066 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.875 7.907 4.928 1.00 0.00 C ATOM 1422 CE LYS A 96 -12.195 8.556 4.544 1.00 0.00 C ATOM 1423 NZ LYS A 96 -12.927 7.761 3.519 1.00 0.00 N ATOM 0 H LYS A 96 -7.849 9.495 2.950 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.096 6.785 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.141 6.364 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.935 7.414 4.653 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.279 9.288 4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.120 8.742 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.957 6.825 4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.660 8.111 5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.818 8.665 5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.008 9.559 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.821 8.237 3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.344 7.678 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.128 6.812 3.894 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.461 6.047 0.590 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.265 5.542 -0.517 1.00 0.00 C ATOM 1439 C CYS A 97 -9.952 4.234 -0.138 1.00 0.00 C ATOM 1440 O CYS A 97 -9.301 3.199 0.006 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.392 5.333 -1.755 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.321 4.953 -3.258 1.00 0.00 S ATOM 0 H CYS A 97 -7.552 5.595 0.691 1.00 0.00 H new ATOM 0 HA CYS A 97 -10.032 6.282 -0.743 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.800 6.232 -1.925 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.691 4.522 -1.559 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.496 4.796 -4.250 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.269 4.289 0.025 1.00 0.00 N ATOM 1449 CA ASP A 98 -12.044 3.109 0.388 1.00 0.00 C ATOM 1450 C ASP A 98 -12.124 2.130 -0.779 1.00 0.00 C ATOM 1451 O ASP A 98 -12.600 2.476 -1.861 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.453 3.513 0.828 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.436 3.533 -0.326 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.984 2.461 -0.657 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -14.656 4.621 -0.899 1.00 0.00 O ATOM 0 H ASP A 98 -11.822 5.138 -0.089 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.539 2.616 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.806 2.818 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.418 4.500 1.289 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.653 0.908 -0.553 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.671 -0.120 -1.586 1.00 0.00 C ATOM 1462 C ILE A 99 -12.400 -1.370 -1.105 1.00 0.00 C ATOM 1463 O ILE A 99 -12.045 -1.955 -0.082 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.245 -0.507 -2.020 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.527 0.701 -2.624 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.288 -1.657 -3.016 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.093 0.419 -3.014 1.00 0.00 C ATOM 0 H ILE A 99 -11.254 0.606 0.336 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.201 0.301 -2.441 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.690 -0.834 -1.141 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.075 1.036 -3.504 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.545 1.521 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.273 -1.919 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.765 -2.521 -2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.857 -1.356 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.647 1.320 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.530 0.113 -2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.068 -0.379 -3.756 1.00 0.00 H new ATOM 1479 N THR A 100 -13.423 -1.776 -1.852 1.00 0.00 N ATOM 1480 CA THR A 100 -14.203 -2.957 -1.503 1.00 0.00 C ATOM 1481 C THR A 100 -13.630 -4.208 -2.159 1.00 0.00 C ATOM 1482 O THR A 100 -13.522 -4.286 -3.383 1.00 0.00 O ATOM 1483 CB THR A 100 -15.677 -2.801 -1.921 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.077 -1.431 -1.803 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.579 -3.674 -1.063 1.00 0.00 C ATOM 0 H THR A 100 -13.730 -1.304 -2.702 1.00 0.00 H new ATOM 0 HA THR A 100 -14.150 -3.062 -0.419 1.00 0.00 H new ATOM 0 HB THR A 100 -15.773 -3.119 -2.959 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.015 -1.340 -2.072 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.615 -3.546 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.291 -4.719 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.479 -3.383 -0.017 1.00 0.00 H new ATOM 1493 N THR A 101 -13.263 -5.187 -1.337 1.00 0.00 N ATOM 1494 CA THR A 101 -12.701 -6.435 -1.838 1.00 0.00 C ATOM 1495 C THR A 101 -13.755 -7.260 -2.567 1.00 0.00 C ATOM 1496 O THR A 101 -14.927 -6.887 -2.612 1.00 0.00 O ATOM 1497 CB THR A 101 -12.103 -7.279 -0.697 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.104 -7.544 0.293 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.924 -6.564 -0.055 1.00 0.00 C ATOM 0 H THR A 101 -13.345 -5.139 -0.321 1.00 0.00 H new ATOM 0 HA THR A 101 -11.908 -6.167 -2.536 1.00 0.00 H new ATOM 0 HB THR A 101 -11.750 -8.221 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.672 -7.754 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.519 -7.180 0.748 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.152 -6.390 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.256 -5.609 0.352 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.331 -8.383 -3.137 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.240 -9.262 -3.862 1.00 0.00 C ATOM 1509 C ALA A 102 -15.164 -10.006 -2.905 1.00 0.00 C ATOM 1510 O ALA A 102 -14.816 -10.281 -1.756 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.453 -10.248 -4.714 1.00 0.00 C ATOM 0 H ALA A 102 -12.364 -8.706 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.858 -8.646 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.144 -10.898 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.840 -9.701 -5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.811 -10.851 -4.073 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.370 -10.341 -3.386 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.369 -11.059 -2.588 1.00 0.00 C ATOM 1519 C PRO A 103 -16.966 -12.505 -2.319 1.00 0.00 C ATOM 1520 O PRO A 103 -17.718 -13.266 -1.712 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.625 -11.007 -3.462 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.112 -10.859 -4.853 1.00 0.00 C ATOM 1523 CD PRO A 103 -16.852 -10.046 -4.746 1.00 0.00 C ATOM 0 HA PRO A 103 -17.500 -10.613 -1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.220 -11.914 -3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.266 -10.170 -3.185 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -17.911 -11.832 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.845 -10.361 -5.488 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.122 -10.335 -5.502 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.047 -8.982 -4.881 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.774 -12.877 -2.775 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.292 -14.231 -2.573 1.00 0.00 C ATOM 1533 C GLY A 104 -15.664 -15.155 -3.716 1.00 0.00 C ATOM 1534 O GLY A 104 -16.796 -15.133 -4.198 1.00 0.00 O ATOM 0 H GLY A 104 -15.133 -12.265 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.208 -14.215 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.703 -14.625 -1.643 1.00 0.00 H new