USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 46 CYS SG : rot 160:sc= 0 USER MOD Set 1.2: A 48 THR OG1 : rot 89:sc= 0.34 USER MOD Set 2.1: A 38 TYR OH : rot 180:sc= 0.0703 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 159:sc= 0.953 (180deg=-0.0938) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -2.2! C(o=-2.2!,f=-7.6!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc=-0.00692 USER MOD Single : A 30 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.71) USER MOD Single : A 33 TYR OH : rot 120:sc= 0.0284 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= -0.0456 (180deg=-0.0817) USER MOD Single : A 40 GLN : amide:sc= -5.08! C(o=-5.1!,f=-6.1!) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 47 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.76) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 158:sc= -0.0971 (180deg=-0.415) USER MOD Single : A 60 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.72) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -140:sc= -0.197 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.353 USER MOD Single : A 75 GLN : amide:sc= -0.009 K(o=-0.009,f=-1.3) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.895 USER MOD Single : A 85 LYS NZ :NH3+ -129:sc= 0.0394 (180deg=-0.196) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.553 17.450 -9.127 1.00 0.00 N ATOM 67 CA LEU A 8 -9.760 16.249 -8.889 1.00 0.00 C ATOM 68 C LEU A 8 -9.849 15.818 -7.428 1.00 0.00 C ATOM 69 O LEU A 8 -10.033 14.639 -7.129 1.00 0.00 O ATOM 70 CB LEU A 8 -8.299 16.494 -9.272 1.00 0.00 C ATOM 71 CG LEU A 8 -7.515 15.270 -9.746 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.495 14.198 -8.668 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.111 14.722 -11.035 1.00 0.00 C ATOM 0 HA LEU A 8 -10.163 15.449 -9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.272 17.246 -10.061 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.785 16.919 -8.410 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.488 15.575 -9.945 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.933 13.335 -9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.022 14.594 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.516 13.895 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.541 13.851 -11.358 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.148 14.433 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.072 15.489 -11.809 1.00 0.00 H new ATOM 85 N ALA A 9 -9.719 16.783 -6.523 1.00 0.00 N ATOM 86 CA ALA A 9 -9.789 16.504 -5.094 1.00 0.00 C ATOM 87 C ALA A 9 -10.998 15.636 -4.763 1.00 0.00 C ATOM 88 O ALA A 9 -10.856 14.531 -4.241 1.00 0.00 O ATOM 89 CB ALA A 9 -9.837 17.804 -4.305 1.00 0.00 C ATOM 0 H ALA A 9 -9.565 17.764 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.892 15.953 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.889 17.581 -3.239 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.939 18.388 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.717 18.376 -4.599 1.00 0.00 H new ATOM 95 N GLU A 10 -12.188 16.145 -5.069 1.00 0.00 N ATOM 96 CA GLU A 10 -13.422 15.416 -4.801 1.00 0.00 C ATOM 97 C GLU A 10 -13.221 13.916 -4.999 1.00 0.00 C ATOM 98 O GLU A 10 -13.524 13.116 -4.113 1.00 0.00 O ATOM 99 CB GLU A 10 -14.544 15.916 -5.713 1.00 0.00 C ATOM 100 CG GLU A 10 -14.783 17.414 -5.619 1.00 0.00 C ATOM 101 CD GLU A 10 -14.792 17.914 -4.188 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.685 17.499 -3.419 1.00 0.00 O ATOM 103 OE2 GLU A 10 -13.906 18.721 -3.836 1.00 0.00 O ATOM 0 H GLU A 10 -12.323 17.058 -5.502 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.701 15.594 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.304 15.659 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.466 15.393 -5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.008 17.938 -6.178 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.735 17.657 -6.091 1.00 0.00 H new ATOM 110 N LEU A 11 -12.709 13.543 -6.166 1.00 0.00 N ATOM 111 CA LEU A 11 -12.467 12.139 -6.482 1.00 0.00 C ATOM 112 C LEU A 11 -11.418 11.544 -5.549 1.00 0.00 C ATOM 113 O LEU A 11 -11.647 10.513 -4.916 1.00 0.00 O ATOM 114 CB LEU A 11 -12.016 11.994 -7.936 1.00 0.00 C ATOM 115 CG LEU A 11 -13.079 12.268 -9.000 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.445 11.802 -8.521 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.112 13.747 -9.353 1.00 0.00 C ATOM 0 H LEU A 11 -12.453 14.193 -6.910 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.401 11.594 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.179 12.671 -8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.640 10.981 -8.079 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.820 11.707 -9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.189 12.005 -9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.414 10.731 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.712 12.335 -7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.874 13.923 -10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.346 14.329 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.139 14.051 -9.739 1.00 0.00 H new ATOM 129 N PHE A 12 -10.265 12.201 -5.467 1.00 0.00 N ATOM 130 CA PHE A 12 -9.180 11.738 -4.611 1.00 0.00 C ATOM 131 C PHE A 12 -9.726 11.135 -3.319 1.00 0.00 C ATOM 132 O PHE A 12 -9.184 10.160 -2.801 1.00 0.00 O ATOM 133 CB PHE A 12 -8.230 12.893 -4.286 1.00 0.00 C ATOM 134 CG PHE A 12 -7.122 12.511 -3.346 1.00 0.00 C ATOM 135 CD1 PHE A 12 -5.925 12.012 -3.832 1.00 0.00 C ATOM 136 CD2 PHE A 12 -7.279 12.651 -1.976 1.00 0.00 C ATOM 137 CE1 PHE A 12 -4.903 11.660 -2.970 1.00 0.00 C ATOM 138 CE2 PHE A 12 -6.261 12.302 -1.110 1.00 0.00 C ATOM 139 CZ PHE A 12 -5.072 11.804 -1.606 1.00 0.00 C ATOM 0 H PHE A 12 -10.059 13.056 -5.984 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.631 10.965 -5.149 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.796 13.268 -5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.802 13.711 -3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.788 11.896 -4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.207 13.037 -1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.974 11.273 -3.362 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.395 12.419 -0.045 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.277 11.528 -0.930 1.00 0.00 H new ATOM 149 N GLU A 13 -10.801 11.724 -2.807 1.00 0.00 N ATOM 150 CA GLU A 13 -11.420 11.246 -1.575 1.00 0.00 C ATOM 151 C GLU A 13 -12.275 10.010 -1.840 1.00 0.00 C ATOM 152 O GLU A 13 -12.092 8.968 -1.211 1.00 0.00 O ATOM 153 CB GLU A 13 -12.276 12.348 -0.948 1.00 0.00 C ATOM 154 CG GLU A 13 -11.485 13.582 -0.549 1.00 0.00 C ATOM 155 CD GLU A 13 -10.751 13.405 0.766 1.00 0.00 C ATOM 156 OE1 GLU A 13 -9.954 12.450 0.878 1.00 0.00 O ATOM 157 OE2 GLU A 13 -10.974 14.222 1.684 1.00 0.00 O ATOM 0 H GLU A 13 -11.262 12.532 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.625 10.974 -0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.054 12.638 -1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.779 11.949 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.766 13.817 -1.333 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.161 14.433 -0.471 1.00 0.00 H new ATOM 164 N LYS A 14 -13.210 10.135 -2.776 1.00 0.00 N ATOM 165 CA LYS A 14 -14.094 9.030 -3.126 1.00 0.00 C ATOM 166 C LYS A 14 -13.298 7.750 -3.364 1.00 0.00 C ATOM 167 O LYS A 14 -13.596 6.706 -2.784 1.00 0.00 O ATOM 168 CB LYS A 14 -14.908 9.377 -4.375 1.00 0.00 C ATOM 169 CG LYS A 14 -15.676 10.682 -4.258 1.00 0.00 C ATOM 170 CD LYS A 14 -16.960 10.648 -5.069 1.00 0.00 C ATOM 171 CE LYS A 14 -17.293 12.017 -5.642 1.00 0.00 C ATOM 172 NZ LYS A 14 -18.758 12.193 -5.843 1.00 0.00 N ATOM 0 H LYS A 14 -13.375 10.991 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.774 8.863 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.236 9.436 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.611 8.569 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.911 10.874 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.050 11.506 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.860 9.927 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.781 10.307 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.923 12.792 -4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.778 12.148 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.944 13.138 -6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.107 11.470 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.248 12.094 -4.931 1.00 0.00 H new ATOM 186 N ALA A 15 -12.285 7.840 -4.219 1.00 0.00 N ATOM 187 CA ALA A 15 -11.444 6.691 -4.531 1.00 0.00 C ATOM 188 C ALA A 15 -10.868 6.072 -3.261 1.00 0.00 C ATOM 189 O ALA A 15 -10.957 4.863 -3.053 1.00 0.00 O ATOM 190 CB ALA A 15 -10.325 7.096 -5.478 1.00 0.00 C ATOM 0 H ALA A 15 -12.027 8.697 -4.708 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.064 5.941 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.705 6.228 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.753 7.484 -6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.713 7.867 -5.010 1.00 0.00 H new ATOM 196 N ALA A 16 -10.275 6.910 -2.417 1.00 0.00 N ATOM 197 CA ALA A 16 -9.685 6.446 -1.168 1.00 0.00 C ATOM 198 C ALA A 16 -10.607 5.460 -0.458 1.00 0.00 C ATOM 199 O ALA A 16 -10.167 4.410 0.008 1.00 0.00 O ATOM 200 CB ALA A 16 -9.373 7.626 -0.260 1.00 0.00 C ATOM 0 H ALA A 16 -10.191 7.914 -2.576 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.755 5.929 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.933 7.264 0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.670 8.293 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.292 8.168 -0.039 1.00 0.00 H new ATOM 206 N ALA A 17 -11.888 5.805 -0.380 1.00 0.00 N ATOM 207 CA ALA A 17 -12.872 4.950 0.271 1.00 0.00 C ATOM 208 C ALA A 17 -13.040 3.635 -0.482 1.00 0.00 C ATOM 209 O ALA A 17 -13.362 2.605 0.111 1.00 0.00 O ATOM 210 CB ALA A 17 -14.207 5.671 0.383 1.00 0.00 C ATOM 0 H ALA A 17 -12.269 6.672 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.511 4.721 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.932 5.020 0.871 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.081 6.580 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.565 5.930 -0.613 1.00 0.00 H new ATOM 216 N HIS A 18 -12.822 3.677 -1.793 1.00 0.00 N ATOM 217 CA HIS A 18 -12.950 2.488 -2.628 1.00 0.00 C ATOM 218 C HIS A 18 -11.741 1.573 -2.460 1.00 0.00 C ATOM 219 O HIS A 18 -11.848 0.353 -2.597 1.00 0.00 O ATOM 220 CB HIS A 18 -13.105 2.884 -4.096 1.00 0.00 C ATOM 221 CG HIS A 18 -13.825 1.861 -4.920 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.993 1.252 -4.511 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.538 1.343 -6.137 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.391 0.402 -5.440 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.526 0.438 -6.438 1.00 0.00 N ATOM 0 H HIS A 18 -12.556 4.521 -2.300 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.840 1.946 -2.310 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.644 3.830 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.117 3.054 -4.524 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.690 1.595 -6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.274 -0.218 -5.392 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.583 -0.116 -7.293 1.00 0.00 H new ATOM 234 N LEU A 19 -10.591 2.169 -2.163 1.00 0.00 N ATOM 235 CA LEU A 19 -9.361 1.408 -1.977 1.00 0.00 C ATOM 236 C LEU A 19 -9.594 0.211 -1.061 1.00 0.00 C ATOM 237 O LEU A 19 -9.183 -0.907 -1.369 1.00 0.00 O ATOM 238 CB LEU A 19 -8.267 2.305 -1.395 1.00 0.00 C ATOM 239 CG LEU A 19 -6.829 1.937 -1.766 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.841 2.769 -0.963 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.584 0.452 -1.543 1.00 0.00 C ATOM 0 H LEU A 19 -10.485 3.177 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.040 1.039 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.454 3.329 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.355 2.293 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.680 2.154 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.824 2.493 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.001 3.827 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.990 2.584 0.101 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.556 0.208 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.752 0.209 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.268 -0.127 -2.163 1.00 0.00 H new ATOM 253 N GLN A 20 -10.258 0.454 0.065 1.00 0.00 N ATOM 254 CA GLN A 20 -10.547 -0.605 1.025 1.00 0.00 C ATOM 255 C GLN A 20 -11.328 -1.737 0.367 1.00 0.00 C ATOM 256 O GLN A 20 -11.254 -2.887 0.797 1.00 0.00 O ATOM 257 CB GLN A 20 -11.336 -0.046 2.210 1.00 0.00 C ATOM 258 CG GLN A 20 -10.631 1.093 2.928 1.00 0.00 C ATOM 259 CD GLN A 20 -9.733 0.609 4.049 1.00 0.00 C ATOM 260 OE1 GLN A 20 -10.186 0.393 5.174 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.451 0.435 3.748 1.00 0.00 N ATOM 0 H GLN A 20 -10.606 1.374 0.335 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.599 -1.004 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.306 0.303 1.857 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.526 -0.850 2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.037 1.658 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.376 1.778 3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.119 0.626 2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.799 0.110 4.462 1.00 0.00 H new ATOM 270 N GLY A 21 -12.077 -1.403 -0.680 1.00 0.00 N ATOM 271 CA GLY A 21 -12.861 -2.404 -1.380 1.00 0.00 C ATOM 272 C GLY A 21 -12.088 -3.064 -2.505 1.00 0.00 C ATOM 273 O GLY A 21 -12.522 -4.077 -3.056 1.00 0.00 O ATOM 0 H GLY A 21 -12.155 -0.458 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.187 -3.166 -0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.760 -1.939 -1.785 1.00 0.00 H new ATOM 277 N LEU A 22 -10.941 -2.489 -2.850 1.00 0.00 N ATOM 278 CA LEU A 22 -10.106 -3.026 -3.918 1.00 0.00 C ATOM 279 C LEU A 22 -8.836 -3.654 -3.353 1.00 0.00 C ATOM 280 O LEU A 22 -7.893 -3.941 -4.091 1.00 0.00 O ATOM 281 CB LEU A 22 -9.745 -1.923 -4.914 1.00 0.00 C ATOM 282 CG LEU A 22 -10.901 -1.043 -5.390 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.388 0.076 -6.282 1.00 0.00 C ATOM 284 CD2 LEU A 22 -11.940 -1.878 -6.123 1.00 0.00 C ATOM 0 H LEU A 22 -10.568 -1.650 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.673 -3.801 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.991 -1.282 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.284 -2.386 -5.787 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.375 -0.595 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.225 0.692 -6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.682 0.691 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.888 -0.352 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.755 -1.235 -6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.479 -2.355 -6.988 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.331 -2.643 -5.452 1.00 0.00 H new ATOM 296 N ILE A 23 -8.819 -3.865 -2.042 1.00 0.00 N ATOM 297 CA ILE A 23 -7.666 -4.461 -1.379 1.00 0.00 C ATOM 298 C ILE A 23 -7.423 -5.883 -1.873 1.00 0.00 C ATOM 299 O ILE A 23 -6.280 -6.326 -1.980 1.00 0.00 O ATOM 300 CB ILE A 23 -7.846 -4.485 0.151 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.192 -3.087 0.667 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.586 -5.007 0.824 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.036 -2.113 0.595 1.00 0.00 C ATOM 0 H ILE A 23 -9.591 -3.632 -1.417 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.804 -3.840 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.669 -5.156 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.027 -2.691 0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.529 -3.163 1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.729 -5.018 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.379 -6.019 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.746 -4.359 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.353 -1.143 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.207 -2.487 1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.713 -2.007 -0.441 1.00 0.00 H new ATOM 315 N GLN A 24 -8.506 -6.593 -2.173 1.00 0.00 N ATOM 316 CA GLN A 24 -8.410 -7.965 -2.657 1.00 0.00 C ATOM 317 C GLN A 24 -7.881 -8.002 -4.087 1.00 0.00 C ATOM 318 O GLN A 24 -7.348 -9.016 -4.537 1.00 0.00 O ATOM 319 CB GLN A 24 -9.776 -8.649 -2.589 1.00 0.00 C ATOM 320 CG GLN A 24 -10.494 -8.443 -1.265 1.00 0.00 C ATOM 321 CD GLN A 24 -11.935 -8.914 -1.303 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.249 -10.024 -0.873 1.00 0.00 O ATOM 323 NE2 GLN A 24 -12.820 -8.069 -1.818 1.00 0.00 N ATOM 0 H GLN A 24 -9.460 -6.241 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.710 -8.501 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.403 -8.270 -3.396 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.647 -9.718 -2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.961 -8.979 -0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.468 -7.385 -1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.515 -7.159 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.805 -8.330 -1.869 1.00 0.00 H new ATOM 332 N VAL A 25 -8.031 -6.888 -4.798 1.00 0.00 N ATOM 333 CA VAL A 25 -7.568 -6.793 -6.177 1.00 0.00 C ATOM 334 C VAL A 25 -6.275 -5.990 -6.268 1.00 0.00 C ATOM 335 O VAL A 25 -5.601 -5.995 -7.297 1.00 0.00 O ATOM 336 CB VAL A 25 -8.630 -6.140 -7.082 1.00 0.00 C ATOM 337 CG1 VAL A 25 -9.882 -7.002 -7.143 1.00 0.00 C ATOM 338 CG2 VAL A 25 -8.960 -4.739 -6.590 1.00 0.00 C ATOM 0 H VAL A 25 -8.470 -6.039 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.385 -7.811 -6.521 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.224 -6.060 -8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.621 -6.525 -7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.629 -7.983 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.294 -7.117 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.712 -4.292 -7.241 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.347 -4.792 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.058 -4.127 -6.604 1.00 0.00 H new ATOM 348 N ALA A 26 -5.936 -5.300 -5.184 1.00 0.00 N ATOM 349 CA ALA A 26 -4.723 -4.493 -5.140 1.00 0.00 C ATOM 350 C ALA A 26 -3.575 -5.263 -4.496 1.00 0.00 C ATOM 351 O ALA A 26 -3.686 -5.728 -3.362 1.00 0.00 O ATOM 352 CB ALA A 26 -4.978 -3.196 -4.388 1.00 0.00 C ATOM 0 H ALA A 26 -6.485 -5.284 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.437 -4.255 -6.165 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.063 -2.604 -4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.762 -2.631 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.292 -3.422 -3.369 1.00 0.00 H new ATOM 358 N SER A 27 -2.473 -5.395 -5.228 1.00 0.00 N ATOM 359 CA SER A 27 -1.306 -6.113 -4.730 1.00 0.00 C ATOM 360 C SER A 27 -0.558 -5.281 -3.693 1.00 0.00 C ATOM 361 O SER A 27 -0.668 -4.055 -3.668 1.00 0.00 O ATOM 362 CB SER A 27 -0.369 -6.471 -5.885 1.00 0.00 C ATOM 363 OG SER A 27 0.565 -5.433 -6.124 1.00 0.00 O ATOM 0 H SER A 27 -2.364 -5.014 -6.168 1.00 0.00 H new ATOM 0 HA SER A 27 -1.651 -7.031 -4.254 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.161 -7.395 -5.655 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.952 -6.654 -6.787 1.00 0.00 H new ATOM 0 HG SER A 27 1.153 -5.687 -6.866 1.00 0.00 H new ATOM 369 N ARG A 28 0.203 -5.957 -2.838 1.00 0.00 N ATOM 370 CA ARG A 28 0.968 -5.281 -1.797 1.00 0.00 C ATOM 371 C ARG A 28 1.656 -4.036 -2.350 1.00 0.00 C ATOM 372 O ARG A 28 1.798 -3.033 -1.652 1.00 0.00 O ATOM 373 CB ARG A 28 2.009 -6.231 -1.202 1.00 0.00 C ATOM 374 CG ARG A 28 3.107 -6.620 -2.179 1.00 0.00 C ATOM 375 CD ARG A 28 4.279 -5.654 -2.113 1.00 0.00 C ATOM 376 NE ARG A 28 5.441 -6.152 -2.845 1.00 0.00 N ATOM 377 CZ ARG A 28 6.681 -5.725 -2.635 1.00 0.00 C ATOM 378 NH1 ARG A 28 6.919 -4.796 -1.720 1.00 0.00 N ATOM 379 NH2 ARG A 28 7.686 -6.227 -3.342 1.00 0.00 N ATOM 0 H ARG A 28 0.306 -6.972 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 28 0.276 -4.974 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.461 -5.760 -0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.508 -7.134 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.453 -7.629 -1.956 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.705 -6.637 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.978 -4.690 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.552 -5.486 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 28 5.292 -6.867 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.149 -4.407 -1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.872 -4.470 -1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.506 -6.941 -4.047 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.638 -5.898 -3.180 1.00 0.00 H new ATOM 393 N GLU A 29 2.082 -4.111 -3.607 1.00 0.00 N ATOM 394 CA GLU A 29 2.756 -2.990 -4.252 1.00 0.00 C ATOM 395 C GLU A 29 1.770 -1.869 -4.565 1.00 0.00 C ATOM 396 O GLU A 29 2.052 -0.696 -4.324 1.00 0.00 O ATOM 397 CB GLU A 29 3.445 -3.452 -5.538 1.00 0.00 C ATOM 398 CG GLU A 29 4.821 -4.055 -5.309 1.00 0.00 C ATOM 399 CD GLU A 29 5.428 -4.622 -6.577 1.00 0.00 C ATOM 400 OE1 GLU A 29 4.898 -5.631 -7.088 1.00 0.00 O ATOM 401 OE2 GLU A 29 6.432 -4.058 -7.059 1.00 0.00 O ATOM 0 H GLU A 29 1.973 -4.935 -4.198 1.00 0.00 H new ATOM 0 HA GLU A 29 3.508 -2.606 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.813 -4.188 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.538 -2.603 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.485 -3.292 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.748 -4.845 -4.561 1.00 0.00 H new ATOM 408 N GLN A 30 0.613 -2.239 -5.105 1.00 0.00 N ATOM 409 CA GLN A 30 -0.414 -1.265 -5.453 1.00 0.00 C ATOM 410 C GLN A 30 -0.860 -0.482 -4.222 1.00 0.00 C ATOM 411 O GLN A 30 -1.154 0.712 -4.306 1.00 0.00 O ATOM 412 CB GLN A 30 -1.616 -1.965 -6.089 1.00 0.00 C ATOM 413 CG GLN A 30 -1.284 -2.687 -7.385 1.00 0.00 C ATOM 414 CD GLN A 30 -0.913 -1.736 -8.505 1.00 0.00 C ATOM 415 OE1 GLN A 30 0.197 -1.204 -8.542 1.00 0.00 O ATOM 416 NE2 GLN A 30 -1.842 -1.516 -9.427 1.00 0.00 N ATOM 0 H GLN A 30 0.364 -3.206 -5.311 1.00 0.00 H new ATOM 0 HA GLN A 30 0.013 -0.566 -6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.026 -2.682 -5.378 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.395 -1.227 -6.283 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.458 -3.377 -7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.141 -3.287 -7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.749 -1.978 -9.358 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.649 -0.885 -10.205 1.00 0.00 H new ATOM 425 N LEU A 31 -0.908 -1.160 -3.081 1.00 0.00 N ATOM 426 CA LEU A 31 -1.319 -0.527 -1.832 1.00 0.00 C ATOM 427 C LEU A 31 -0.356 0.591 -1.446 1.00 0.00 C ATOM 428 O LEU A 31 -0.763 1.607 -0.881 1.00 0.00 O ATOM 429 CB LEU A 31 -1.389 -1.565 -0.711 1.00 0.00 C ATOM 430 CG LEU A 31 -2.679 -2.381 -0.631 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.890 -1.462 -0.580 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.781 -3.335 -1.812 1.00 0.00 C ATOM 0 H LEU A 31 -0.668 -2.147 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.308 -0.094 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.553 -2.255 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.247 -1.053 0.241 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.657 -2.970 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.799 -2.061 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.823 -0.820 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.917 -0.846 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.706 -3.908 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.780 -2.765 -2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.930 -4.017 -1.804 1.00 0.00 H new ATOM 444 N LEU A 32 0.921 0.398 -1.756 1.00 0.00 N ATOM 445 CA LEU A 32 1.942 1.392 -1.444 1.00 0.00 C ATOM 446 C LEU A 32 1.913 2.538 -2.450 1.00 0.00 C ATOM 447 O LEU A 32 2.013 3.707 -2.077 1.00 0.00 O ATOM 448 CB LEU A 32 3.328 0.743 -1.434 1.00 0.00 C ATOM 449 CG LEU A 32 4.356 1.368 -0.491 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.270 0.733 0.888 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.759 1.224 -1.060 1.00 0.00 C ATOM 0 H LEU A 32 1.274 -0.437 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 32 1.729 1.796 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.213 -0.308 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.729 0.774 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 32 4.133 2.430 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.009 1.190 1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.273 0.889 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.467 -0.336 0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.477 1.675 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.993 0.167 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.813 1.727 -2.026 1.00 0.00 H new ATOM 463 N TYR A 33 1.772 2.196 -3.725 1.00 0.00 N ATOM 464 CA TYR A 33 1.728 3.196 -4.785 1.00 0.00 C ATOM 465 C TYR A 33 0.738 4.306 -4.447 1.00 0.00 C ATOM 466 O TYR A 33 0.989 5.481 -4.715 1.00 0.00 O ATOM 467 CB TYR A 33 1.347 2.544 -6.115 1.00 0.00 C ATOM 468 CG TYR A 33 1.455 3.477 -7.300 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.677 3.703 -7.922 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.336 4.133 -7.797 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.780 4.555 -9.004 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.430 4.986 -8.880 1.00 0.00 C ATOM 473 CZ TYR A 33 1.654 5.194 -9.480 1.00 0.00 C ATOM 474 OH TYR A 33 1.752 6.044 -10.558 1.00 0.00 O ATOM 0 H TYR A 33 1.686 1.233 -4.050 1.00 0.00 H new ATOM 0 HA TYR A 33 2.721 3.636 -4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.990 1.680 -6.284 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.325 2.172 -6.048 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.561 3.204 -7.553 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.624 3.974 -7.329 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.738 4.720 -9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.450 5.487 -9.254 1.00 0.00 H new ATOM 0 HH TYR A 33 1.184 5.716 -11.286 1.00 0.00 H new ATOM 484 N LEU A 34 -0.389 3.923 -3.856 1.00 0.00 N ATOM 485 CA LEU A 34 -1.420 4.885 -3.479 1.00 0.00 C ATOM 486 C LEU A 34 -1.102 5.524 -2.131 1.00 0.00 C ATOM 487 O LEU A 34 -1.613 6.595 -1.805 1.00 0.00 O ATOM 488 CB LEU A 34 -2.787 4.201 -3.422 1.00 0.00 C ATOM 489 CG LEU A 34 -3.132 3.292 -4.602 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.528 2.711 -4.438 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.021 4.055 -5.914 1.00 0.00 C ATOM 0 H LEU A 34 -0.612 2.954 -3.628 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.444 5.669 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.838 3.610 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.554 4.972 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.418 2.469 -4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.756 2.067 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.574 2.128 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.256 3.521 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.270 3.392 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.711 4.898 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.002 4.422 -6.037 1.00 0.00 H new ATOM 503 N TYR A 35 -0.253 4.860 -1.354 1.00 0.00 N ATOM 504 CA TYR A 35 0.133 5.363 -0.041 1.00 0.00 C ATOM 505 C TYR A 35 1.135 6.507 -0.169 1.00 0.00 C ATOM 506 O TYR A 35 0.980 7.556 0.456 1.00 0.00 O ATOM 507 CB TYR A 35 0.733 4.237 0.804 1.00 0.00 C ATOM 508 CG TYR A 35 1.508 4.729 2.005 1.00 0.00 C ATOM 509 CD1 TYR A 35 2.785 5.257 1.863 1.00 0.00 C ATOM 510 CD2 TYR A 35 0.964 4.664 3.282 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.498 5.706 2.958 1.00 0.00 C ATOM 512 CE2 TYR A 35 1.669 5.112 4.382 1.00 0.00 C ATOM 513 CZ TYR A 35 2.935 5.632 4.215 1.00 0.00 C ATOM 514 OH TYR A 35 3.641 6.079 5.309 1.00 0.00 O ATOM 0 H TYR A 35 0.181 3.973 -1.611 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.762 5.741 0.453 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.069 3.582 1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.392 3.636 0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.228 5.318 0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.027 4.256 3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.490 6.113 2.830 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.231 5.055 5.368 1.00 0.00 H new ATOM 0 HH TYR A 35 3.102 5.957 6.118 1.00 0.00 H new ATOM 524 N ALA A 36 2.163 6.296 -0.984 1.00 0.00 N ATOM 525 CA ALA A 36 3.190 7.308 -1.197 1.00 0.00 C ATOM 526 C ALA A 36 2.581 8.606 -1.717 1.00 0.00 C ATOM 527 O ALA A 36 2.684 9.652 -1.076 1.00 0.00 O ATOM 528 CB ALA A 36 4.246 6.794 -2.164 1.00 0.00 C ATOM 0 H ALA A 36 2.307 5.433 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 36 3.663 7.517 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.006 7.561 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.710 5.898 -1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.779 6.555 -3.119 1.00 0.00 H new ATOM 534 N ARG A 37 1.947 8.531 -2.883 1.00 0.00 N ATOM 535 CA ARG A 37 1.323 9.701 -3.490 1.00 0.00 C ATOM 536 C ARG A 37 0.364 10.375 -2.512 1.00 0.00 C ATOM 537 O ARG A 37 0.357 11.598 -2.378 1.00 0.00 O ATOM 538 CB ARG A 37 0.575 9.304 -4.763 1.00 0.00 C ATOM 539 CG ARG A 37 1.449 8.602 -5.790 1.00 0.00 C ATOM 540 CD ARG A 37 0.867 8.720 -7.190 1.00 0.00 C ATOM 541 NE ARG A 37 1.863 8.441 -8.221 1.00 0.00 N ATOM 542 CZ ARG A 37 2.788 9.314 -8.605 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.844 10.514 -8.045 1.00 0.00 N ATOM 544 NH2 ARG A 37 3.660 8.986 -9.550 1.00 0.00 N ATOM 0 H ARG A 37 1.852 7.673 -3.426 1.00 0.00 H new ATOM 0 HA ARG A 37 2.111 10.410 -3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.255 8.650 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.145 10.198 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.450 9.033 -5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.551 7.550 -5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.032 8.027 -7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.468 9.724 -7.333 1.00 0.00 H new ATOM 0 HE ARG A 37 1.848 7.526 -8.671 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.176 10.769 -7.318 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.555 11.182 -8.341 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.620 8.063 -9.982 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.370 9.657 -9.844 1.00 0.00 H new ATOM 558 N TYR A 38 -0.443 9.567 -1.833 1.00 0.00 N ATOM 559 CA TYR A 38 -1.408 10.085 -0.870 1.00 0.00 C ATOM 560 C TYR A 38 -0.715 10.925 0.198 1.00 0.00 C ATOM 561 O TYR A 38 -1.273 11.903 0.695 1.00 0.00 O ATOM 562 CB TYR A 38 -2.172 8.934 -0.214 1.00 0.00 C ATOM 563 CG TYR A 38 -3.195 9.388 0.803 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.807 9.786 2.077 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.548 9.419 0.492 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.737 10.202 3.010 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.485 9.834 1.418 1.00 0.00 C ATOM 568 CZ TYR A 38 -5.075 10.224 2.675 1.00 0.00 C ATOM 569 OH TYR A 38 -6.006 10.637 3.601 1.00 0.00 O ATOM 0 H TYR A 38 -0.448 8.552 -1.931 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.112 10.721 -1.406 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.674 8.354 -0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.460 8.267 0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.760 9.770 2.342 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.873 9.113 -0.491 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.419 10.508 3.996 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.533 9.853 1.159 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.902 10.594 3.206 1.00 0.00 H new ATOM 579 N LYS A 39 0.507 10.535 0.547 1.00 0.00 N ATOM 580 CA LYS A 39 1.280 11.252 1.555 1.00 0.00 C ATOM 581 C LYS A 39 1.947 12.485 0.954 1.00 0.00 C ATOM 582 O LYS A 39 2.321 13.410 1.673 1.00 0.00 O ATOM 583 CB LYS A 39 2.340 10.331 2.163 1.00 0.00 C ATOM 584 CG LYS A 39 1.792 9.388 3.221 1.00 0.00 C ATOM 585 CD LYS A 39 1.599 10.095 4.552 1.00 0.00 C ATOM 586 CE LYS A 39 2.932 10.415 5.211 1.00 0.00 C ATOM 587 NZ LYS A 39 2.760 10.866 6.620 1.00 0.00 N ATOM 0 H LYS A 39 0.983 9.727 0.147 1.00 0.00 H new ATOM 0 HA LYS A 39 0.596 11.577 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.799 9.744 1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.129 10.940 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.840 8.977 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.475 8.548 3.350 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.038 11.016 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.005 9.467 5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.570 9.532 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.442 11.191 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.678 11.171 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.091 11.662 6.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.390 10.081 7.193 1.00 0.00 H new ATOM 601 N GLN A 40 2.090 12.490 -0.367 1.00 0.00 N ATOM 602 CA GLN A 40 2.711 13.610 -1.063 1.00 0.00 C ATOM 603 C GLN A 40 1.716 14.750 -1.258 1.00 0.00 C ATOM 604 O GLN A 40 2.091 15.922 -1.259 1.00 0.00 O ATOM 605 CB GLN A 40 3.257 13.157 -2.419 1.00 0.00 C ATOM 606 CG GLN A 40 3.501 14.301 -3.390 1.00 0.00 C ATOM 607 CD GLN A 40 4.525 15.294 -2.875 1.00 0.00 C ATOM 608 OE1 GLN A 40 4.194 16.440 -2.567 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.776 14.860 -2.780 1.00 0.00 N ATOM 0 H GLN A 40 1.784 11.731 -0.976 1.00 0.00 H new ATOM 0 HA GLN A 40 3.536 13.973 -0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.192 12.618 -2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.555 12.454 -2.868 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.840 13.897 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.561 14.819 -3.579 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.005 13.902 -3.046 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.508 15.484 -2.441 1.00 0.00 H new ATOM 618 N VAL A 41 0.445 14.397 -1.424 1.00 0.00 N ATOM 619 CA VAL A 41 -0.605 15.390 -1.619 1.00 0.00 C ATOM 620 C VAL A 41 -1.055 15.981 -0.288 1.00 0.00 C ATOM 621 O VAL A 41 -1.597 17.086 -0.238 1.00 0.00 O ATOM 622 CB VAL A 41 -1.824 14.783 -2.337 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.378 13.902 -3.495 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.683 13.997 -1.358 1.00 0.00 C ATOM 0 H VAL A 41 0.118 13.431 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.183 16.180 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.427 15.596 -2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.253 13.482 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.809 14.499 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.752 13.094 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.540 13.575 -1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.093 13.191 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.033 14.660 -0.567 1.00 0.00 H new ATOM 634 N LYS A 42 -0.827 15.240 0.791 1.00 0.00 N ATOM 635 CA LYS A 42 -1.208 15.690 2.124 1.00 0.00 C ATOM 636 C LYS A 42 -0.020 16.321 2.845 1.00 0.00 C ATOM 637 O LYS A 42 -0.107 17.444 3.341 1.00 0.00 O ATOM 638 CB LYS A 42 -1.752 14.519 2.945 1.00 0.00 C ATOM 639 CG LYS A 42 -2.927 13.812 2.290 1.00 0.00 C ATOM 640 CD LYS A 42 -4.148 14.713 2.215 1.00 0.00 C ATOM 641 CE LYS A 42 -5.247 14.093 1.366 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.162 13.243 2.178 1.00 0.00 N ATOM 0 H LYS A 42 -0.379 14.324 0.768 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.988 16.443 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.951 13.798 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.059 14.884 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.647 13.493 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.172 12.912 2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.525 14.900 3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.864 15.678 1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.820 14.883 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.799 13.492 0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.067 13.131 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.729 12.309 2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.329 13.695 3.100 1.00 0.00 H new ATOM 656 N VAL A 43 1.090 15.591 2.898 1.00 0.00 N ATOM 657 CA VAL A 43 2.296 16.080 3.555 1.00 0.00 C ATOM 658 C VAL A 43 3.141 16.916 2.601 1.00 0.00 C ATOM 659 O VAL A 43 3.265 18.129 2.764 1.00 0.00 O ATOM 660 CB VAL A 43 3.149 14.918 4.098 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.323 15.450 4.906 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.297 13.978 4.936 1.00 0.00 C ATOM 0 H VAL A 43 1.179 14.659 2.494 1.00 0.00 H new ATOM 0 HA VAL A 43 1.973 16.703 4.389 1.00 0.00 H new ATOM 0 HB VAL A 43 3.546 14.355 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.914 14.615 5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.946 16.079 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.951 16.037 5.745 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.916 13.163 5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.870 14.526 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.494 13.570 4.322 1.00 0.00 H new ATOM 672 N GLY A 44 3.722 16.257 1.603 1.00 0.00 N ATOM 673 CA GLY A 44 4.549 16.955 0.636 1.00 0.00 C ATOM 674 C GLY A 44 5.986 16.472 0.646 1.00 0.00 C ATOM 675 O GLY A 44 6.251 15.299 0.902 1.00 0.00 O ATOM 0 H GLY A 44 3.635 15.253 1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.130 16.819 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.527 18.024 0.848 1.00 0.00 H new ATOM 679 N ASN A 45 6.916 17.379 0.364 1.00 0.00 N ATOM 680 CA ASN A 45 8.334 17.038 0.340 1.00 0.00 C ATOM 681 C ASN A 45 8.708 16.180 1.544 1.00 0.00 C ATOM 682 O ASN A 45 8.451 16.553 2.689 1.00 0.00 O ATOM 683 CB ASN A 45 9.185 18.310 0.321 1.00 0.00 C ATOM 684 CG ASN A 45 9.156 19.005 -1.026 1.00 0.00 C ATOM 685 OD1 ASN A 45 8.122 19.524 -1.448 1.00 0.00 O ATOM 686 ND2 ASN A 45 10.295 19.019 -1.709 1.00 0.00 N ATOM 0 H ASN A 45 6.713 18.355 0.149 1.00 0.00 H new ATOM 0 HA ASN A 45 8.529 16.464 -0.566 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.826 18.996 1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.215 18.059 0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.337 19.472 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.128 18.576 -1.321 1.00 0.00 H new ATOM 693 N CYS A 46 9.315 15.029 1.277 1.00 0.00 N ATOM 694 CA CYS A 46 9.725 14.117 2.339 1.00 0.00 C ATOM 695 C CYS A 46 10.432 14.870 3.461 1.00 0.00 C ATOM 696 O CYS A 46 11.474 15.487 3.247 1.00 0.00 O ATOM 697 CB CYS A 46 10.645 13.031 1.780 1.00 0.00 C ATOM 698 SG CYS A 46 10.918 11.642 2.905 1.00 0.00 S ATOM 0 H CYS A 46 9.534 14.705 0.335 1.00 0.00 H new ATOM 0 HA CYS A 46 8.829 13.650 2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.220 12.653 0.850 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.608 13.478 1.532 1.00 0.00 H new ATOM 0 HG CYS A 46 11.331 10.611 2.229 1.00 0.00 H new ATOM 704 N ASN A 47 9.855 14.817 4.657 1.00 0.00 N ATOM 705 CA ASN A 47 10.428 15.497 5.813 1.00 0.00 C ATOM 706 C ASN A 47 10.594 14.533 6.984 1.00 0.00 C ATOM 707 O ASN A 47 10.350 14.891 8.137 1.00 0.00 O ATOM 708 CB ASN A 47 9.545 16.675 6.229 1.00 0.00 C ATOM 709 CG ASN A 47 8.067 16.369 6.081 1.00 0.00 C ATOM 710 OD1 ASN A 47 7.342 17.075 5.380 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.613 15.311 6.743 1.00 0.00 N ATOM 0 H ASN A 47 8.991 14.310 4.851 1.00 0.00 H new ATOM 0 HA ASN A 47 11.412 15.872 5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.757 16.937 7.266 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.796 17.546 5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.627 15.056 6.682 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.250 14.754 7.313 1.00 0.00 H new ATOM 718 N THR A 48 11.011 13.307 6.681 1.00 0.00 N ATOM 719 CA THR A 48 11.209 12.291 7.707 1.00 0.00 C ATOM 720 C THR A 48 12.511 11.532 7.484 1.00 0.00 C ATOM 721 O THR A 48 13.002 11.408 6.362 1.00 0.00 O ATOM 722 CB THR A 48 10.041 11.288 7.736 1.00 0.00 C ATOM 723 OG1 THR A 48 9.836 10.735 6.431 1.00 0.00 O ATOM 724 CG2 THR A 48 8.762 11.959 8.214 1.00 0.00 C ATOM 0 H THR A 48 11.218 12.994 5.733 1.00 0.00 H new ATOM 0 HA THR A 48 11.255 12.812 8.664 1.00 0.00 H new ATOM 0 HB THR A 48 10.296 10.489 8.433 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.393 9.936 6.323 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.951 11.230 8.226 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.911 12.352 9.220 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.506 12.776 7.539 1.00 0.00 H new ATOM 732 N PRO A 49 13.086 11.008 8.577 1.00 0.00 N ATOM 733 CA PRO A 49 14.340 10.250 8.526 1.00 0.00 C ATOM 734 C PRO A 49 14.170 8.895 7.847 1.00 0.00 C ATOM 735 O PRO A 49 13.107 8.278 7.924 1.00 0.00 O ATOM 736 CB PRO A 49 14.704 10.066 10.001 1.00 0.00 C ATOM 737 CG PRO A 49 13.404 10.148 10.725 1.00 0.00 C ATOM 738 CD PRO A 49 12.557 11.116 9.947 1.00 0.00 C ATOM 0 HA PRO A 49 15.105 10.766 7.945 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.192 9.107 10.172 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.394 10.839 10.338 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.927 9.170 10.782 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.549 10.492 11.749 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.501 10.851 9.992 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.648 12.131 10.334 1.00 0.00 H new ATOM 746 N LYS A 50 15.225 8.437 7.181 1.00 0.00 N ATOM 747 CA LYS A 50 15.194 7.153 6.488 1.00 0.00 C ATOM 748 C LYS A 50 15.119 6.000 7.484 1.00 0.00 C ATOM 749 O LYS A 50 15.790 5.994 8.516 1.00 0.00 O ATOM 750 CB LYS A 50 16.434 6.998 5.604 1.00 0.00 C ATOM 751 CG LYS A 50 16.492 5.671 4.868 1.00 0.00 C ATOM 752 CD LYS A 50 17.838 5.468 4.191 1.00 0.00 C ATOM 753 CE LYS A 50 17.831 5.999 2.766 1.00 0.00 C ATOM 754 NZ LYS A 50 19.203 6.061 2.190 1.00 0.00 N ATOM 0 H LYS A 50 16.112 8.935 7.106 1.00 0.00 H new ATOM 0 HA LYS A 50 14.303 7.127 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.455 7.809 4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.326 7.101 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.310 4.857 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.699 5.633 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.615 5.973 4.765 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.086 4.407 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.204 5.360 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.386 6.994 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.155 6.428 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.794 6.691 2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.619 5.108 2.180 1.00 0.00 H new ATOM 768 N PRO A 51 14.284 4.999 7.168 1.00 0.00 N ATOM 769 CA PRO A 51 14.103 3.820 8.021 1.00 0.00 C ATOM 770 C PRO A 51 15.334 2.921 8.036 1.00 0.00 C ATOM 771 O PRO A 51 16.218 3.049 7.189 1.00 0.00 O ATOM 772 CB PRO A 51 12.918 3.095 7.378 1.00 0.00 C ATOM 773 CG PRO A 51 12.939 3.526 5.952 1.00 0.00 C ATOM 774 CD PRO A 51 13.453 4.939 5.954 1.00 0.00 C ATOM 0 HA PRO A 51 13.938 4.093 9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.020 2.013 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.979 3.367 7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.583 2.877 5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.942 3.474 5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.035 5.156 5.058 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.639 5.663 5.989 1.00 0.00 H new ATOM 782 N SER A 52 15.385 2.010 9.003 1.00 0.00 N ATOM 783 CA SER A 52 16.509 1.091 9.129 1.00 0.00 C ATOM 784 C SER A 52 16.315 -0.131 8.236 1.00 0.00 C ATOM 785 O SER A 52 15.190 -0.579 8.012 1.00 0.00 O ATOM 786 CB SER A 52 16.675 0.651 10.585 1.00 0.00 C ATOM 787 OG SER A 52 18.028 0.344 10.874 1.00 0.00 O ATOM 0 H SER A 52 14.660 1.889 9.711 1.00 0.00 H new ATOM 0 HA SER A 52 17.411 1.614 8.810 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.329 1.443 11.249 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.052 -0.222 10.778 1.00 0.00 H new ATOM 0 HG SER A 52 18.108 0.067 11.811 1.00 0.00 H new ATOM 793 N PHE A 53 17.420 -0.666 7.727 1.00 0.00 N ATOM 794 CA PHE A 53 17.373 -1.836 6.858 1.00 0.00 C ATOM 795 C PHE A 53 16.452 -2.906 7.435 1.00 0.00 C ATOM 796 O PHE A 53 15.699 -3.552 6.706 1.00 0.00 O ATOM 797 CB PHE A 53 18.779 -2.408 6.660 1.00 0.00 C ATOM 798 CG PHE A 53 18.796 -3.709 5.910 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.452 -4.893 6.543 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.158 -3.749 4.574 1.00 0.00 C ATOM 801 CE1 PHE A 53 18.466 -6.092 5.855 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.174 -4.945 3.881 1.00 0.00 C ATOM 803 CZ PHE A 53 18.829 -6.118 4.523 1.00 0.00 C ATOM 0 H PHE A 53 18.359 -0.308 7.901 1.00 0.00 H new ATOM 0 HA PHE A 53 16.976 -1.524 5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.387 -1.680 6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.244 -2.554 7.635 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.170 -4.879 7.585 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.431 -2.835 4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.193 -7.008 6.359 1.00 0.00 H new ATOM 0 HE2 PHE A 53 19.456 -4.962 2.839 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.843 -7.054 3.984 1.00 0.00 H new ATOM 813 N PHE A 54 16.519 -3.089 8.750 1.00 0.00 N ATOM 814 CA PHE A 54 15.693 -4.082 9.426 1.00 0.00 C ATOM 815 C PHE A 54 14.211 -3.820 9.176 1.00 0.00 C ATOM 816 O PHE A 54 13.486 -4.695 8.703 1.00 0.00 O ATOM 817 CB PHE A 54 15.977 -4.074 10.930 1.00 0.00 C ATOM 818 CG PHE A 54 17.113 -4.971 11.331 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.361 -4.836 10.743 1.00 0.00 C ATOM 820 CD2 PHE A 54 16.933 -5.950 12.295 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.408 -5.660 11.110 1.00 0.00 C ATOM 822 CE2 PHE A 54 17.977 -6.776 12.666 1.00 0.00 C ATOM 823 CZ PHE A 54 19.216 -6.632 12.072 1.00 0.00 C ATOM 0 H PHE A 54 17.137 -2.563 9.368 1.00 0.00 H new ATOM 0 HA PHE A 54 15.943 -5.062 9.020 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.202 -3.055 11.244 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.077 -4.381 11.463 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.517 -4.078 9.989 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.966 -6.069 12.762 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.376 -5.544 10.645 1.00 0.00 H new ATOM 0 HE2 PHE A 54 17.824 -7.534 13.420 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.032 -7.278 12.359 1.00 0.00 H new ATOM 833 N ASP A 55 13.769 -2.609 9.497 1.00 0.00 N ATOM 834 CA ASP A 55 12.374 -2.229 9.306 1.00 0.00 C ATOM 835 C ASP A 55 12.029 -2.154 7.822 1.00 0.00 C ATOM 836 O ASP A 55 12.052 -1.080 7.222 1.00 0.00 O ATOM 837 CB ASP A 55 12.094 -0.883 9.976 1.00 0.00 C ATOM 838 CG ASP A 55 10.616 -0.546 10.003 1.00 0.00 C ATOM 839 OD1 ASP A 55 9.832 -1.356 10.543 1.00 0.00 O ATOM 840 OD2 ASP A 55 10.242 0.527 9.486 1.00 0.00 O ATOM 0 H ASP A 55 14.356 -1.874 9.891 1.00 0.00 H new ATOM 0 HA ASP A 55 11.749 -2.993 9.767 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.478 -0.901 10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.633 -0.098 9.446 1.00 0.00 H new ATOM 845 N PHE A 56 11.710 -3.303 7.236 1.00 0.00 N ATOM 846 CA PHE A 56 11.362 -3.369 5.821 1.00 0.00 C ATOM 847 C PHE A 56 10.034 -2.666 5.555 1.00 0.00 C ATOM 848 O PHE A 56 9.972 -1.706 4.788 1.00 0.00 O ATOM 849 CB PHE A 56 11.282 -4.826 5.361 1.00 0.00 C ATOM 850 CG PHE A 56 12.114 -5.763 6.189 1.00 0.00 C ATOM 851 CD1 PHE A 56 11.587 -6.358 7.324 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.422 -6.048 5.833 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.350 -7.221 8.088 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.189 -6.910 6.593 1.00 0.00 C ATOM 855 CZ PHE A 56 13.653 -7.497 7.723 1.00 0.00 C ATOM 0 H PHE A 56 11.685 -4.201 7.719 1.00 0.00 H new ATOM 0 HA PHE A 56 12.143 -2.860 5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.242 -5.152 5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.604 -4.889 4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.569 -6.145 7.615 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.847 -5.591 4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.927 -7.679 8.970 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.207 -7.125 6.304 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.251 -8.170 8.319 1.00 0.00 H new ATOM 865 N GLU A 57 8.975 -3.153 6.193 1.00 0.00 N ATOM 866 CA GLU A 57 7.648 -2.572 6.024 1.00 0.00 C ATOM 867 C GLU A 57 7.732 -1.055 5.882 1.00 0.00 C ATOM 868 O GLU A 57 7.083 -0.465 5.019 1.00 0.00 O ATOM 869 CB GLU A 57 6.753 -2.935 7.211 1.00 0.00 C ATOM 870 CG GLU A 57 6.804 -4.407 7.584 1.00 0.00 C ATOM 871 CD GLU A 57 5.789 -4.775 8.649 1.00 0.00 C ATOM 872 OE1 GLU A 57 5.976 -4.367 9.814 1.00 0.00 O ATOM 873 OE2 GLU A 57 4.807 -5.471 8.316 1.00 0.00 O ATOM 0 H GLU A 57 9.010 -3.948 6.831 1.00 0.00 H new ATOM 0 HA GLU A 57 7.214 -2.982 5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.050 -2.340 8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.724 -2.664 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.625 -5.010 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.804 -4.653 7.940 1.00 0.00 H new ATOM 880 N GLY A 58 8.537 -0.430 6.736 1.00 0.00 N ATOM 881 CA GLY A 58 8.691 1.012 6.690 1.00 0.00 C ATOM 882 C GLY A 58 9.615 1.461 5.575 1.00 0.00 C ATOM 883 O GLY A 58 9.452 2.550 5.024 1.00 0.00 O ATOM 0 H GLY A 58 9.085 -0.897 7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.713 1.475 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.082 1.363 7.645 1.00 0.00 H new ATOM 887 N LYS A 59 10.589 0.621 5.242 1.00 0.00 N ATOM 888 CA LYS A 59 11.544 0.936 4.185 1.00 0.00 C ATOM 889 C LYS A 59 10.823 1.295 2.890 1.00 0.00 C ATOM 890 O LYS A 59 10.918 2.424 2.409 1.00 0.00 O ATOM 891 CB LYS A 59 12.483 -0.248 3.948 1.00 0.00 C ATOM 892 CG LYS A 59 13.751 0.121 3.198 1.00 0.00 C ATOM 893 CD LYS A 59 14.883 -0.845 3.507 1.00 0.00 C ATOM 894 CE LYS A 59 14.735 -2.143 2.728 1.00 0.00 C ATOM 895 NZ LYS A 59 14.881 -1.930 1.262 1.00 0.00 N ATOM 0 H LYS A 59 10.738 -0.284 5.689 1.00 0.00 H new ATOM 0 HA LYS A 59 12.130 1.798 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.754 -0.684 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.950 -1.017 3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.554 0.121 2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.052 1.134 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.838 -0.379 3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.898 -1.060 4.575 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.485 -2.858 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.759 -2.582 2.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.146 -2.826 0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.979 -1.594 0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.621 -1.221 1.086 1.00 0.00 H new ATOM 909 N GLN A 60 10.103 0.328 2.331 1.00 0.00 N ATOM 910 CA GLN A 60 9.366 0.543 1.092 1.00 0.00 C ATOM 911 C GLN A 60 8.499 1.794 1.184 1.00 0.00 C ATOM 912 O GLN A 60 8.488 2.624 0.275 1.00 0.00 O ATOM 913 CB GLN A 60 8.495 -0.673 0.774 1.00 0.00 C ATOM 914 CG GLN A 60 7.655 -1.144 1.950 1.00 0.00 C ATOM 915 CD GLN A 60 6.932 -2.447 1.666 1.00 0.00 C ATOM 916 OE1 GLN A 60 7.001 -3.392 2.453 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.234 -2.503 0.539 1.00 0.00 N ATOM 0 H GLN A 60 10.014 -0.612 2.717 1.00 0.00 H new ATOM 0 HA GLN A 60 10.089 0.683 0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.835 -0.429 -0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.135 -1.492 0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.297 -1.271 2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.925 -0.375 2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.205 -1.696 -0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.726 -3.354 0.295 1.00 0.00 H new ATOM 926 N LYS A 61 7.772 1.923 2.289 1.00 0.00 N ATOM 927 CA LYS A 61 6.901 3.073 2.502 1.00 0.00 C ATOM 928 C LYS A 61 7.674 4.378 2.340 1.00 0.00 C ATOM 929 O LYS A 61 7.350 5.200 1.482 1.00 0.00 O ATOM 930 CB LYS A 61 6.272 3.011 3.896 1.00 0.00 C ATOM 931 CG LYS A 61 5.194 1.950 4.030 1.00 0.00 C ATOM 932 CD LYS A 61 4.585 1.946 5.422 1.00 0.00 C ATOM 933 CE LYS A 61 3.139 1.476 5.396 1.00 0.00 C ATOM 934 NZ LYS A 61 2.346 2.060 6.514 1.00 0.00 N ATOM 0 H LYS A 61 7.769 1.245 3.051 1.00 0.00 H new ATOM 0 HA LYS A 61 6.111 3.043 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.054 2.817 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.844 3.984 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.413 2.128 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.619 0.969 3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.168 1.296 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.635 2.949 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.684 1.753 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.109 0.388 5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.366 1.716 6.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.765 1.775 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.353 3.097 6.440 1.00 0.00 H new ATOM 948 N TRP A 62 8.697 4.562 3.167 1.00 0.00 N ATOM 949 CA TRP A 62 9.517 5.767 3.114 1.00 0.00 C ATOM 950 C TRP A 62 10.053 5.998 1.705 1.00 0.00 C ATOM 951 O TRP A 62 10.018 7.117 1.194 1.00 0.00 O ATOM 952 CB TRP A 62 10.677 5.664 4.104 1.00 0.00 C ATOM 953 CG TRP A 62 11.466 6.932 4.230 1.00 0.00 C ATOM 954 CD1 TRP A 62 11.163 8.011 5.010 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.686 7.253 3.553 1.00 0.00 C ATOM 956 NE1 TRP A 62 12.122 8.984 4.859 1.00 0.00 N ATOM 957 CE2 TRP A 62 13.068 8.543 3.971 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.495 6.575 2.637 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.221 9.166 3.502 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.639 7.196 2.172 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.994 8.480 2.606 1.00 0.00 C ATOM 0 H TRP A 62 8.979 3.892 3.883 1.00 0.00 H new ATOM 0 HA TRP A 62 8.890 6.616 3.388 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.286 5.389 5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.343 4.860 3.790 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.297 8.088 5.651 1.00 0.00 H new ATOM 0 HE1 TRP A 62 12.128 9.888 5.331 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.231 5.584 2.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.496 10.156 3.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.270 6.683 1.462 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.896 8.937 2.226 1.00 0.00 H new ATOM 972 N GLU A 63 10.549 4.933 1.083 1.00 0.00 N ATOM 973 CA GLU A 63 11.093 5.022 -0.267 1.00 0.00 C ATOM 974 C GLU A 63 10.041 5.535 -1.245 1.00 0.00 C ATOM 975 O GLU A 63 10.137 6.655 -1.746 1.00 0.00 O ATOM 976 CB GLU A 63 11.608 3.656 -0.724 1.00 0.00 C ATOM 977 CG GLU A 63 12.911 3.243 -0.061 1.00 0.00 C ATOM 978 CD GLU A 63 13.650 2.173 -0.842 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.474 2.111 -2.076 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.403 1.397 -0.217 1.00 0.00 O ATOM 0 H GLU A 63 10.585 3.999 1.492 1.00 0.00 H new ATOM 0 HA GLU A 63 11.923 5.728 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.849 2.902 -0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.750 3.674 -1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.553 4.118 0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.702 2.875 0.944 1.00 0.00 H new ATOM 987 N ALA A 64 9.036 4.707 -1.512 1.00 0.00 N ATOM 988 CA ALA A 64 7.964 5.076 -2.428 1.00 0.00 C ATOM 989 C ALA A 64 7.628 6.559 -2.310 1.00 0.00 C ATOM 990 O ALA A 64 7.604 7.281 -3.307 1.00 0.00 O ATOM 991 CB ALA A 64 6.728 4.229 -2.164 1.00 0.00 C ATOM 0 H ALA A 64 8.942 3.776 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 64 8.308 4.888 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.936 4.516 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.971 3.176 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.390 4.387 -1.140 1.00 0.00 H new ATOM 997 N TRP A 65 7.367 7.005 -1.087 1.00 0.00 N ATOM 998 CA TRP A 65 7.030 8.403 -0.840 1.00 0.00 C ATOM 999 C TRP A 65 8.257 9.294 -0.995 1.00 0.00 C ATOM 1000 O TRP A 65 8.148 10.456 -1.389 1.00 0.00 O ATOM 1001 CB TRP A 65 6.440 8.566 0.562 1.00 0.00 C ATOM 1002 CG TRP A 65 6.193 9.995 0.939 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.952 11.037 0.090 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.163 10.539 2.264 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.775 12.196 0.807 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.899 11.917 2.142 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.333 9.996 3.540 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.802 12.757 3.249 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.237 10.830 4.637 1.00 0.00 C ATOM 1010 CH2 TRP A 65 5.972 12.198 4.486 1.00 0.00 C ATOM 0 H TRP A 65 7.382 6.420 -0.251 1.00 0.00 H new ATOM 0 HA TRP A 65 6.287 8.708 -1.577 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.501 8.015 0.620 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.118 8.118 1.288 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.907 10.961 -0.986 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.582 13.115 0.409 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.536 8.943 3.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.600 13.812 3.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.368 10.421 5.628 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.901 12.823 5.364 1.00 0.00 H new ATOM 1021 N LYS A 66 9.426 8.744 -0.684 1.00 0.00 N ATOM 1022 CA LYS A 66 10.675 9.488 -0.790 1.00 0.00 C ATOM 1023 C LYS A 66 10.943 9.897 -2.235 1.00 0.00 C ATOM 1024 O LYS A 66 11.392 11.012 -2.501 1.00 0.00 O ATOM 1025 CB LYS A 66 11.840 8.648 -0.262 1.00 0.00 C ATOM 1026 CG LYS A 66 13.202 9.275 -0.506 1.00 0.00 C ATOM 1027 CD LYS A 66 13.407 10.513 0.351 1.00 0.00 C ATOM 1028 CE LYS A 66 14.589 11.338 -0.136 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.823 12.532 0.723 1.00 0.00 N ATOM 0 H LYS A 66 9.534 7.784 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 66 10.584 10.391 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.708 8.491 0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.812 7.666 -0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.983 8.547 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.298 9.540 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.504 11.123 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.571 10.217 1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.485 10.717 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.410 11.658 -1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.636 13.068 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.977 13.137 0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.019 12.226 1.697 1.00 0.00 H new ATOM 1043 N ALA A 67 10.664 8.989 -3.164 1.00 0.00 N ATOM 1044 CA ALA A 67 10.872 9.257 -4.581 1.00 0.00 C ATOM 1045 C ALA A 67 10.137 10.521 -5.015 1.00 0.00 C ATOM 1046 O ALA A 67 10.577 11.227 -5.923 1.00 0.00 O ATOM 1047 CB ALA A 67 10.419 8.068 -5.416 1.00 0.00 C ATOM 0 H ALA A 67 10.293 8.061 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 67 11.938 9.415 -4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.580 8.283 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.993 7.185 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.359 7.883 -5.241 1.00 0.00 H new ATOM 1053 N LEU A 68 9.015 10.800 -4.361 1.00 0.00 N ATOM 1054 CA LEU A 68 8.217 11.980 -4.679 1.00 0.00 C ATOM 1055 C LEU A 68 8.744 13.208 -3.944 1.00 0.00 C ATOM 1056 O LEU A 68 7.993 13.908 -3.267 1.00 0.00 O ATOM 1057 CB LEU A 68 6.751 11.742 -4.313 1.00 0.00 C ATOM 1058 CG LEU A 68 6.110 10.481 -4.895 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.695 10.310 -4.366 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.110 10.536 -6.416 1.00 0.00 C ATOM 0 H LEU A 68 8.637 10.226 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 68 8.292 12.161 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.671 11.698 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.171 12.605 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 68 6.700 9.619 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.254 9.408 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.721 10.225 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.094 11.175 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.650 9.631 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.544 11.406 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.136 10.610 -6.777 1.00 0.00 H new ATOM 1072 N GLY A 69 10.041 13.464 -4.085 1.00 0.00 N ATOM 1073 CA GLY A 69 10.646 14.610 -3.430 1.00 0.00 C ATOM 1074 C GLY A 69 9.825 15.873 -3.597 1.00 0.00 C ATOM 1075 O GLY A 69 9.153 16.312 -2.664 1.00 0.00 O ATOM 0 H GLY A 69 10.683 12.899 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.766 14.396 -2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.644 14.772 -3.837 1.00 0.00 H new ATOM 1079 N ASP A 70 9.881 16.460 -4.787 1.00 0.00 N ATOM 1080 CA ASP A 70 9.138 17.681 -5.073 1.00 0.00 C ATOM 1081 C ASP A 70 8.028 17.417 -6.086 1.00 0.00 C ATOM 1082 O ASP A 70 7.911 18.118 -7.091 1.00 0.00 O ATOM 1083 CB ASP A 70 10.079 18.765 -5.601 1.00 0.00 C ATOM 1084 CG ASP A 70 9.534 20.163 -5.379 1.00 0.00 C ATOM 1085 OD1 ASP A 70 8.300 20.306 -5.260 1.00 0.00 O ATOM 1086 OD2 ASP A 70 10.343 21.113 -5.325 1.00 0.00 O ATOM 0 H ASP A 70 10.434 16.110 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 70 8.684 18.026 -4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.047 18.673 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.247 18.609 -6.667 1.00 0.00 H new ATOM 1091 N SER A 71 7.215 16.401 -5.814 1.00 0.00 N ATOM 1092 CA SER A 71 6.117 16.041 -6.704 1.00 0.00 C ATOM 1093 C SER A 71 4.837 16.774 -6.312 1.00 0.00 C ATOM 1094 O SER A 71 4.488 16.848 -5.134 1.00 0.00 O ATOM 1095 CB SER A 71 5.882 14.530 -6.673 1.00 0.00 C ATOM 1096 OG SER A 71 7.063 13.824 -7.014 1.00 0.00 O ATOM 0 H SER A 71 7.296 15.813 -4.985 1.00 0.00 H new ATOM 0 HA SER A 71 6.390 16.339 -7.716 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.550 14.231 -5.679 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.084 14.268 -7.368 1.00 0.00 H new ATOM 0 HG SER A 71 6.834 13.059 -7.583 1.00 0.00 H new ATOM 1102 N SER A 72 4.143 17.314 -7.308 1.00 0.00 N ATOM 1103 CA SER A 72 2.904 18.044 -7.069 1.00 0.00 C ATOM 1104 C SER A 72 1.841 17.129 -6.470 1.00 0.00 C ATOM 1105 O SER A 72 1.852 15.913 -6.662 1.00 0.00 O ATOM 1106 CB SER A 72 2.389 18.658 -8.372 1.00 0.00 C ATOM 1107 OG SER A 72 2.931 19.952 -8.575 1.00 0.00 O ATOM 0 H SER A 72 4.418 17.260 -8.289 1.00 0.00 H new ATOM 0 HA SER A 72 3.114 18.843 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.653 18.014 -9.211 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.301 18.716 -8.345 1.00 0.00 H new ATOM 0 HG SER A 72 2.588 20.322 -9.415 1.00 0.00 H new ATOM 1113 N PRO A 73 0.899 17.726 -5.725 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.190 16.984 -5.082 1.00 0.00 C ATOM 1115 C PRO A 73 -1.195 16.439 -6.091 1.00 0.00 C ATOM 1116 O PRO A 73 -1.539 15.257 -6.062 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.851 18.032 -4.182 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.533 19.338 -4.826 1.00 0.00 C ATOM 1119 CD PRO A 73 0.823 19.171 -5.453 1.00 0.00 C ATOM 0 HA PRO A 73 0.175 16.109 -4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.928 17.875 -4.116 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.459 17.986 -3.166 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.281 19.596 -5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.527 20.144 -4.092 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.918 19.757 -6.367 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.618 19.496 -4.782 1.00 0.00 H new ATOM 1127 N SER A 74 -1.662 17.307 -6.982 1.00 0.00 N ATOM 1128 CA SER A 74 -2.631 16.913 -7.999 1.00 0.00 C ATOM 1129 C SER A 74 -2.079 15.786 -8.867 1.00 0.00 C ATOM 1130 O SER A 74 -2.748 14.779 -9.094 1.00 0.00 O ATOM 1131 CB SER A 74 -3.000 18.112 -8.874 1.00 0.00 C ATOM 1132 OG SER A 74 -2.130 18.218 -9.988 1.00 0.00 O ATOM 0 H SER A 74 -1.385 18.288 -7.021 1.00 0.00 H new ATOM 0 HA SER A 74 -3.527 16.553 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.029 18.010 -9.220 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.952 19.026 -8.283 1.00 0.00 H new ATOM 0 HG SER A 74 -2.388 18.991 -10.532 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.853 15.965 -9.349 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.211 14.964 -10.193 1.00 0.00 C ATOM 1140 C GLN A 75 -0.170 13.609 -9.494 1.00 0.00 C ATOM 1141 O GLN A 75 -0.042 12.570 -10.142 1.00 0.00 O ATOM 1142 CB GLN A 75 1.207 15.408 -10.557 1.00 0.00 C ATOM 1143 CG GLN A 75 1.255 16.707 -11.345 1.00 0.00 C ATOM 1144 CD GLN A 75 2.616 16.964 -11.962 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.532 16.152 -11.834 1.00 0.00 O ATOM 1146 NE2 GLN A 75 2.754 18.100 -12.637 1.00 0.00 N ATOM 0 H GLN A 75 -0.285 16.793 -9.170 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.798 14.863 -11.106 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.788 15.526 -9.642 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.687 14.621 -11.140 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.502 16.678 -12.133 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.996 17.537 -10.687 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.967 18.744 -12.718 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.647 18.328 -13.075 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.278 13.628 -8.170 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.254 12.401 -7.384 1.00 0.00 C ATOM 1157 C ALA A 76 -1.651 11.801 -7.261 1.00 0.00 C ATOM 1158 O ALA A 76 -1.808 10.584 -7.168 1.00 0.00 O ATOM 1159 CB ALA A 76 0.331 12.668 -6.005 1.00 0.00 C ATOM 0 H ALA A 76 -0.383 14.480 -7.619 1.00 0.00 H new ATOM 0 HA ALA A 76 0.379 11.680 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.343 11.743 -5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.349 13.044 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.279 13.409 -5.488 1.00 0.00 H new ATOM 1165 N MET A 77 -2.662 12.663 -7.262 1.00 0.00 N ATOM 1166 CA MET A 77 -4.046 12.217 -7.150 1.00 0.00 C ATOM 1167 C MET A 77 -4.519 11.583 -8.455 1.00 0.00 C ATOM 1168 O MET A 77 -5.333 10.660 -8.446 1.00 0.00 O ATOM 1169 CB MET A 77 -4.955 13.391 -6.782 1.00 0.00 C ATOM 1170 CG MET A 77 -4.544 14.098 -5.500 1.00 0.00 C ATOM 1171 SD MET A 77 -5.907 14.998 -4.736 1.00 0.00 S ATOM 1172 CE MET A 77 -5.203 16.641 -4.615 1.00 0.00 C ATOM 0 H MET A 77 -2.549 13.674 -7.339 1.00 0.00 H new ATOM 0 HA MET A 77 -4.097 11.466 -6.361 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.955 14.111 -7.601 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.978 13.029 -6.676 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.157 13.364 -4.793 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.732 14.792 -5.717 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.929 17.315 -4.160 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.304 16.607 -4.000 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.947 17.002 -5.611 1.00 0.00 H new ATOM 1182 N GLN A 78 -4.004 12.084 -9.572 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.376 11.566 -10.884 1.00 0.00 C ATOM 1184 C GLN A 78 -4.067 10.076 -10.988 1.00 0.00 C ATOM 1185 O GLN A 78 -4.891 9.294 -11.459 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.639 12.330 -11.985 1.00 0.00 C ATOM 1187 CG GLN A 78 -4.029 13.797 -12.074 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.901 14.351 -13.479 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.921 14.086 -14.176 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.893 15.125 -13.903 1.00 0.00 N ATOM 0 H GLN A 78 -3.328 12.848 -9.596 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.450 11.706 -11.011 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.566 12.258 -11.809 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.838 11.851 -12.944 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.057 13.917 -11.733 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.400 14.378 -11.400 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.686 15.318 -13.292 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.862 15.526 -14.840 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.873 9.692 -10.546 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.456 8.295 -10.591 1.00 0.00 C ATOM 1201 C GLU A 79 -3.115 7.494 -9.473 1.00 0.00 C ATOM 1202 O GLU A 79 -3.577 6.373 -9.687 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.934 8.191 -10.480 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.192 8.866 -11.621 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.215 8.048 -12.897 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -0.170 6.803 -12.805 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -0.279 8.653 -13.988 1.00 0.00 O ATOM 0 H GLU A 79 -2.179 10.328 -10.153 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.773 7.878 -11.547 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.616 8.636 -9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.652 7.139 -10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.638 9.842 -11.812 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.842 9.040 -11.324 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.154 8.077 -8.280 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.754 7.417 -7.126 1.00 0.00 C ATOM 1216 C TYR A 80 -5.185 6.984 -7.428 1.00 0.00 C ATOM 1217 O TYR A 80 -5.659 5.968 -6.919 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.736 8.348 -5.913 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.481 7.799 -4.717 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.862 7.647 -4.744 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.804 7.434 -3.560 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.547 7.147 -3.654 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.481 6.931 -2.466 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.852 6.790 -2.517 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.530 6.291 -1.428 1.00 0.00 O ATOM 0 H TYR A 80 -2.777 9.005 -8.087 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.165 6.528 -6.902 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.701 8.541 -5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.173 9.306 -6.194 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.409 7.925 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.731 7.545 -3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.621 7.036 -3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.939 6.650 -1.575 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.893 6.088 -0.711 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.868 7.762 -8.262 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.244 7.459 -8.634 1.00 0.00 C ATOM 1237 C ILE A 81 -7.294 6.506 -9.824 1.00 0.00 C ATOM 1238 O ILE A 81 -7.746 5.368 -9.701 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.027 8.738 -8.983 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.592 9.378 -7.713 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.145 8.424 -9.966 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.730 10.882 -7.803 1.00 0.00 C ATOM 0 H ILE A 81 -5.491 8.606 -8.692 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.707 6.983 -7.770 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.345 9.447 -9.453 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.569 8.944 -7.501 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.944 9.131 -6.872 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.689 9.338 -10.203 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.720 8.008 -10.879 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.828 7.700 -9.521 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.136 11.267 -6.868 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.752 11.327 -7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.402 11.137 -8.622 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.826 6.979 -10.974 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.814 6.168 -12.185 1.00 0.00 C ATOM 1256 C ALA A 82 -6.594 4.695 -11.857 1.00 0.00 C ATOM 1257 O ALA A 82 -7.401 3.840 -12.223 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.739 6.663 -13.141 1.00 0.00 C ATOM 0 H ALA A 82 -6.450 7.920 -11.093 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.787 6.265 -12.667 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.741 6.048 -14.041 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.940 7.700 -13.409 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.764 6.596 -12.658 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.497 4.404 -11.166 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.171 3.034 -10.788 1.00 0.00 C ATOM 1266 C VAL A 83 -6.397 2.307 -10.247 1.00 0.00 C ATOM 1267 O VAL A 83 -6.805 1.274 -10.779 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.055 2.994 -9.727 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.345 3.985 -8.610 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -3.896 1.586 -9.174 1.00 0.00 C ATOM 0 H VAL A 83 -4.818 5.099 -10.856 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.822 2.532 -11.690 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.116 3.281 -10.201 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.546 3.943 -7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.404 4.992 -9.023 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.293 3.731 -8.136 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.103 1.576 -8.426 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.832 1.267 -8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.639 0.904 -9.984 1.00 0.00 H new ATOM 1280 N VAL A 84 -6.982 2.853 -9.186 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.164 2.258 -8.573 1.00 0.00 C ATOM 1282 C VAL A 84 -9.215 1.917 -9.623 1.00 0.00 C ATOM 1283 O VAL A 84 -10.073 1.062 -9.405 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.787 3.199 -7.526 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.702 3.932 -6.752 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.736 4.185 -8.193 1.00 0.00 C ATOM 0 H VAL A 84 -6.657 3.707 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.838 1.343 -8.079 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.360 2.598 -6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.162 4.592 -6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.067 3.208 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.098 4.522 -7.442 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.167 4.842 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.188 4.781 -8.923 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.533 3.639 -8.697 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.142 2.591 -10.766 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.085 2.359 -11.853 1.00 0.00 C ATOM 1298 C LYS A 85 -9.707 1.113 -12.646 1.00 0.00 C ATOM 1299 O LYS A 85 -10.574 0.372 -13.111 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.132 3.574 -12.784 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.235 4.899 -12.049 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.233 6.073 -13.014 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.578 6.225 -13.708 1.00 0.00 C ATOM 1304 NZ LYS A 85 -12.633 6.709 -12.775 1.00 0.00 N ATOM 0 H LYS A 85 -8.439 3.303 -10.963 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.072 2.205 -11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.236 3.581 -13.404 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.984 3.474 -13.456 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.149 4.917 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.401 4.997 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.995 6.989 -12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.451 5.931 -13.760 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.481 6.923 -14.539 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.879 5.266 -14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.464 6.087 -12.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.267 6.699 -11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.906 7.679 -13.032 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.406 0.884 -12.796 1.00 0.00 N ATOM 1319 CA LYS A 86 -7.911 -0.274 -13.529 1.00 0.00 C ATOM 1320 C LYS A 86 -8.252 -1.568 -12.797 1.00 0.00 C ATOM 1321 O LYS A 86 -8.430 -2.617 -13.419 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.397 -0.171 -13.726 1.00 0.00 C ATOM 1323 CG LYS A 86 -5.987 0.868 -14.756 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.665 2.202 -14.105 1.00 0.00 C ATOM 1325 CE LYS A 86 -6.037 3.368 -15.008 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.994 3.626 -16.039 1.00 0.00 N ATOM 0 H LYS A 86 -7.675 1.487 -12.418 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.398 -0.290 -14.504 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.931 0.072 -12.771 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.012 -1.144 -14.030 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.117 0.512 -15.307 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.791 1.000 -15.480 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.203 2.286 -13.161 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.601 2.247 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.988 3.159 -15.498 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.180 4.264 -14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.285 4.428 -16.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.092 3.851 -15.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.875 2.780 -16.632 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.343 -1.488 -11.474 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.664 -2.653 -10.657 1.00 0.00 C ATOM 1342 C LEU A 87 -10.164 -2.930 -10.670 1.00 0.00 C ATOM 1343 O LEU A 87 -10.592 -4.083 -10.725 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.186 -2.440 -9.220 1.00 0.00 C ATOM 1345 CG LEU A 87 -6.859 -1.697 -9.057 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.722 -1.153 -7.644 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.691 -2.613 -9.393 1.00 0.00 C ATOM 0 H LEU A 87 -8.199 -0.628 -10.944 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.150 -3.516 -11.080 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.956 -1.890 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.095 -3.415 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.847 -0.856 -9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.772 -0.628 -7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.541 -0.463 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.755 -1.978 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.755 -2.068 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.699 -3.474 -8.724 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.781 -2.954 -10.424 1.00 0.00 H new ATOM 1359 N ASP A 88 -10.958 -1.865 -10.621 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.410 -1.993 -10.631 1.00 0.00 C ATOM 1361 C ASP A 88 -13.037 -1.005 -11.609 1.00 0.00 C ATOM 1362 O ASP A 88 -13.332 0.141 -11.268 1.00 0.00 O ATOM 1363 CB ASP A 88 -12.973 -1.766 -9.227 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.463 -2.034 -9.150 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -14.914 -3.049 -9.720 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.178 -1.228 -8.518 1.00 0.00 O ATOM 0 H ASP A 88 -10.620 -0.904 -10.574 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.658 -3.004 -10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.453 -2.414 -8.521 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.775 -0.739 -8.921 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.243 -1.455 -12.855 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.836 -0.626 -13.909 1.00 0.00 C ATOM 1373 C PRO A 89 -15.313 -0.342 -13.661 1.00 0.00 C ATOM 1374 O PRO A 89 -15.978 0.296 -14.476 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.658 -1.475 -15.170 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.586 -2.878 -14.676 1.00 0.00 C ATOM 1377 CD PRO A 89 -12.915 -2.809 -13.332 1.00 0.00 C ATOM 0 HA PRO A 89 -13.365 0.355 -13.970 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.492 -1.340 -15.859 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.752 -1.198 -15.709 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.581 -3.314 -14.593 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.019 -3.505 -15.364 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.292 -3.576 -12.655 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -11.838 -2.957 -13.413 1.00 0.00 H new ATOM 1385 N GLY A 90 -15.822 -0.821 -12.530 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.218 -0.608 -12.196 1.00 0.00 C ATOM 1387 C GLY A 90 -17.398 0.375 -11.057 1.00 0.00 C ATOM 1388 O GLY A 90 -18.321 0.242 -10.253 1.00 0.00 O ATOM 0 H GLY A 90 -15.292 -1.353 -11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.747 -0.241 -13.076 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.673 -1.561 -11.925 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.514 1.364 -10.986 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.579 2.373 -9.935 1.00 0.00 C ATOM 1394 C TRP A 91 -17.042 3.714 -10.496 1.00 0.00 C ATOM 1395 O TRP A 91 -16.584 4.146 -11.552 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.212 2.531 -9.266 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.082 3.796 -8.472 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -15.918 4.233 -7.485 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.056 4.786 -8.600 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.474 5.436 -6.992 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.333 5.796 -7.659 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -12.930 4.917 -9.417 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.524 6.921 -7.514 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.128 6.033 -9.273 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.428 7.023 -8.327 1.00 0.00 C ATOM 0 H TRP A 91 -15.744 1.489 -11.643 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.304 2.041 -9.191 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.036 1.679 -8.610 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.436 2.509 -10.031 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -16.799 3.710 -7.142 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -15.921 5.974 -6.250 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.691 4.159 -10.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.754 7.685 -6.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.256 6.144 -9.900 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.781 7.883 -8.238 1.00 0.00 H new