USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=26 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= 0.475 USER MOD Set 1.2: A 100 THR OG1 : rot -62:sc= 0.513 USER MOD Set 2.1: A 87 LYS NZ :NH3+ -162:sc= -1.91 (180deg=-0.689) USER MOD Set 2.2: A 88 MET CE :methyl -114:sc= -3.49! (180deg=-3.79!) USER MOD Set 3.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 43 CYS SG : rot 9:sc= 0.548 USER MOD Set 4.1: A 22 LYS NZ :NH3+ 174:sc= -1.15 (180deg=0) USER MOD Set 4.2: A 27 GLN : amide:sc= -1.2 K(o=-2.3,f=2.1) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.724 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -100:sc= -2.42 USER MOD Single : A 44 TYR OH : rot 180:sc= -1.56 USER MOD Single : A 45 SER OG : rot 150:sc= 0.19 USER MOD Single : A 48 MET CE :methyl -125:sc= -1.52 (180deg=-4.24!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.0111 USER MOD Single : A 61 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.032) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -140:sc= -0.0804 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.912 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0.957) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.11 K(o=-2.1,f=-15!) USER MOD Single : A 94 SER OG : rot 81:sc= -0.0323 USER MOD Single : A 96 LYS NZ :NH3+ -121:sc= -0.784 (180deg=-2.2!) USER MOD Single : A 97 CYS SG : rot 170:sc= 0 USER MOD Single : A 101 THR OG1 : rot -166:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.466 16.834 4.958 1.00 0.00 N ATOM 67 CA PRO A 8 9.751 15.683 4.397 1.00 0.00 C ATOM 68 C PRO A 8 8.846 16.074 3.234 1.00 0.00 C ATOM 69 O PRO A 8 8.489 17.240 3.058 1.00 0.00 O ATOM 70 CB PRO A 8 8.919 15.175 5.576 1.00 0.00 C ATOM 71 CG PRO A 8 8.732 16.366 6.450 1.00 0.00 C ATOM 72 CD PRO A 8 9.982 17.188 6.303 1.00 0.00 C ATOM 0 HA PRO A 8 10.433 14.938 3.987 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.962 14.775 5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.432 14.372 6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.853 16.936 6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.580 16.069 7.488 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.774 18.255 6.387 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.716 16.945 7.071 1.00 0.00 H new ATOM 80 N PRO A 9 8.463 15.079 2.420 1.00 0.00 N ATOM 81 CA PRO A 9 7.593 15.295 1.261 1.00 0.00 C ATOM 82 C PRO A 9 6.165 15.645 1.665 1.00 0.00 C ATOM 83 O PRO A 9 5.737 15.356 2.781 1.00 0.00 O ATOM 84 CB PRO A 9 7.629 13.948 0.535 1.00 0.00 C ATOM 85 CG PRO A 9 7.953 12.954 1.596 1.00 0.00 C ATOM 86 CD PRO A 9 8.851 13.666 2.570 1.00 0.00 C ATOM 0 HA PRO A 9 7.928 16.133 0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.671 13.726 0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.381 13.944 -0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.047 12.599 2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.450 12.080 1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.698 13.313 3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.904 13.511 2.334 1.00 0.00 H new ATOM 94 N GLY A 10 5.431 16.268 0.748 1.00 0.00 N ATOM 95 CA GLY A 10 4.058 16.647 1.028 1.00 0.00 C ATOM 96 C GLY A 10 3.113 15.462 1.000 1.00 0.00 C ATOM 97 O GLY A 10 3.533 14.307 0.918 1.00 0.00 O ATOM 0 H GLY A 10 5.763 16.517 -0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.008 17.124 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.732 17.386 0.296 1.00 0.00 H new ATOM 101 N PRO A 11 1.804 15.743 1.072 1.00 0.00 N ATOM 102 CA PRO A 11 0.769 14.704 1.057 1.00 0.00 C ATOM 103 C PRO A 11 0.649 14.024 -0.302 1.00 0.00 C ATOM 104 O PRO A 11 0.194 14.632 -1.272 1.00 0.00 O ATOM 105 CB PRO A 11 -0.512 15.475 1.385 1.00 0.00 C ATOM 106 CG PRO A 11 -0.237 16.871 0.943 1.00 0.00 C ATOM 107 CD PRO A 11 1.232 17.096 1.171 1.00 0.00 C ATOM 0 HA PRO A 11 0.990 13.899 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.371 15.056 0.862 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.737 15.434 2.451 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.494 17.005 -0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.834 17.585 1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.656 17.767 0.424 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.423 17.543 2.147 1.00 0.00 H new ATOM 115 N CYS A 12 1.059 12.763 -0.366 1.00 0.00 N ATOM 116 CA CYS A 12 0.998 12.000 -1.607 1.00 0.00 C ATOM 117 C CYS A 12 -0.449 11.731 -2.009 1.00 0.00 C ATOM 118 O CYS A 12 -1.380 12.053 -1.270 1.00 0.00 O ATOM 119 CB CYS A 12 1.752 10.679 -1.457 1.00 0.00 C ATOM 120 SG CYS A 12 3.495 10.870 -1.014 1.00 0.00 S ATOM 0 H CYS A 12 1.438 12.247 0.428 1.00 0.00 H new ATOM 0 HA CYS A 12 1.471 12.592 -2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.258 10.076 -0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.685 10.126 -2.394 1.00 0.00 H new ATOM 0 HG CYS A 12 4.047 9.698 -0.908 1.00 0.00 H new ATOM 126 N LEU A 13 -0.631 11.140 -3.185 1.00 0.00 N ATOM 127 CA LEU A 13 -1.965 10.828 -3.686 1.00 0.00 C ATOM 128 C LEU A 13 -2.364 9.402 -3.321 1.00 0.00 C ATOM 129 O LEU A 13 -1.522 8.538 -3.076 1.00 0.00 O ATOM 130 CB LEU A 13 -2.016 11.012 -5.204 1.00 0.00 C ATOM 131 CG LEU A 13 -2.103 12.454 -5.703 1.00 0.00 C ATOM 132 CD1 LEU A 13 -1.680 12.541 -7.162 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.512 12.998 -5.521 1.00 0.00 C ATOM 0 H LEU A 13 0.128 10.867 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.672 11.514 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.127 10.552 -5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.876 10.464 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.421 13.064 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.748 13.575 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.652 12.193 -7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.336 11.917 -7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.555 14.026 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.214 12.385 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.778 12.973 -4.464 1.00 0.00 H new ATOM 145 N PRO A 14 -3.681 9.147 -3.285 1.00 0.00 N ATOM 146 CA PRO A 14 -4.222 7.826 -2.954 1.00 0.00 C ATOM 147 C PRO A 14 -3.954 6.798 -4.048 1.00 0.00 C ATOM 148 O PRO A 14 -4.043 7.089 -5.241 1.00 0.00 O ATOM 149 CB PRO A 14 -5.725 8.083 -2.818 1.00 0.00 C ATOM 150 CG PRO A 14 -5.982 9.284 -3.661 1.00 0.00 C ATOM 151 CD PRO A 14 -4.742 10.129 -3.566 1.00 0.00 C ATOM 0 HA PRO A 14 -3.763 7.411 -2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.306 7.227 -3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.004 8.261 -1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.183 9.000 -4.694 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.855 9.831 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.553 10.671 -4.493 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.822 10.872 -2.773 1.00 0.00 H new ATOM 159 N PRO A 15 -3.617 5.567 -3.635 1.00 0.00 N ATOM 160 CA PRO A 15 -3.330 4.471 -4.565 1.00 0.00 C ATOM 161 C PRO A 15 -4.578 3.991 -5.298 1.00 0.00 C ATOM 162 O PRO A 15 -5.629 3.791 -4.688 1.00 0.00 O ATOM 163 CB PRO A 15 -2.786 3.368 -3.655 1.00 0.00 C ATOM 164 CG PRO A 15 -3.375 3.654 -2.317 1.00 0.00 C ATOM 165 CD PRO A 15 -3.492 5.151 -2.228 1.00 0.00 C ATOM 0 HA PRO A 15 -2.638 4.773 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.077 2.380 -4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.697 3.386 -3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.350 3.179 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.742 3.264 -1.520 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.360 5.452 -1.641 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.617 5.595 -1.754 1.00 0.00 H new ATOM 173 N ARG A 16 -4.455 3.807 -6.608 1.00 0.00 N ATOM 174 CA ARG A 16 -5.574 3.350 -7.424 1.00 0.00 C ATOM 175 C ARG A 16 -5.575 1.829 -7.543 1.00 0.00 C ATOM 176 O ARG A 16 -4.616 1.234 -8.037 1.00 0.00 O ATOM 177 CB ARG A 16 -5.509 3.982 -8.816 1.00 0.00 C ATOM 178 CG ARG A 16 -6.088 5.386 -8.875 1.00 0.00 C ATOM 179 CD ARG A 16 -7.602 5.371 -8.732 1.00 0.00 C ATOM 180 NE ARG A 16 -8.217 6.568 -9.300 1.00 0.00 N ATOM 181 CZ ARG A 16 -9.501 6.874 -9.152 1.00 0.00 C ATOM 182 NH1 ARG A 16 -10.301 6.076 -8.459 1.00 0.00 N ATOM 183 NH2 ARG A 16 -9.987 7.981 -9.699 1.00 0.00 N ATOM 0 H ARG A 16 -3.592 3.967 -7.127 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.498 3.659 -6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.470 4.013 -9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.047 3.347 -9.520 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.653 5.994 -8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.815 5.854 -9.821 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.004 4.487 -9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.866 5.293 -7.677 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.629 7.203 -9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.931 5.224 -8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.287 6.314 -8.347 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.374 8.597 -10.233 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.973 8.216 -9.585 1.00 0.00 H new ATOM 197 N LEU A 17 -6.655 1.206 -7.087 1.00 0.00 N ATOM 198 CA LEU A 17 -6.781 -0.247 -7.141 1.00 0.00 C ATOM 199 C LEU A 17 -6.417 -0.773 -8.526 1.00 0.00 C ATOM 200 O LEU A 17 -7.046 -0.415 -9.521 1.00 0.00 O ATOM 201 CB LEU A 17 -8.207 -0.669 -6.781 1.00 0.00 C ATOM 202 CG LEU A 17 -8.676 -2.005 -7.357 1.00 0.00 C ATOM 203 CD1 LEU A 17 -8.006 -3.163 -6.634 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.191 -2.122 -7.266 1.00 0.00 C ATOM 0 H LEU A 17 -7.457 1.684 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.089 -0.675 -6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.288 -0.716 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.891 0.110 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.390 -2.046 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.352 -4.106 -7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.925 -3.088 -6.751 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.260 -3.126 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.508 -3.079 -7.681 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.499 -2.059 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.653 -1.312 -7.830 1.00 0.00 H new ATOM 216 N GLN A 18 -5.399 -1.626 -8.580 1.00 0.00 N ATOM 217 CA GLN A 18 -4.953 -2.202 -9.843 1.00 0.00 C ATOM 218 C GLN A 18 -5.910 -3.293 -10.312 1.00 0.00 C ATOM 219 O GLN A 18 -6.512 -3.995 -9.500 1.00 0.00 O ATOM 220 CB GLN A 18 -3.542 -2.774 -9.697 1.00 0.00 C ATOM 221 CG GLN A 18 -2.765 -2.820 -11.003 1.00 0.00 C ATOM 222 CD GLN A 18 -1.691 -3.890 -11.006 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.986 -5.082 -11.101 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.436 -3.470 -10.901 1.00 0.00 N ATOM 0 H GLN A 18 -4.868 -1.933 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.941 -1.409 -10.590 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.988 -2.173 -8.976 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.608 -3.782 -9.288 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.456 -3.002 -11.826 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.305 -1.848 -11.182 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.237 -2.473 -10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.329 -4.145 -10.897 1.00 0.00 H new ATOM 233 N GLY A 19 -6.045 -3.430 -11.627 1.00 0.00 N ATOM 234 CA GLY A 19 -6.931 -4.438 -12.181 1.00 0.00 C ATOM 235 C GLY A 19 -8.165 -4.656 -11.329 1.00 0.00 C ATOM 236 O GLY A 19 -8.979 -3.748 -11.159 1.00 0.00 O ATOM 0 H GLY A 19 -5.557 -2.861 -12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.234 -4.139 -13.184 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.390 -5.379 -12.279 1.00 0.00 H new ATOM 240 N ARG A 20 -8.306 -5.864 -10.793 1.00 0.00 N ATOM 241 CA ARG A 20 -9.452 -6.200 -9.956 1.00 0.00 C ATOM 242 C ARG A 20 -8.997 -6.748 -8.606 1.00 0.00 C ATOM 243 O ARG A 20 -8.021 -7.492 -8.508 1.00 0.00 O ATOM 244 CB ARG A 20 -10.342 -7.225 -10.661 1.00 0.00 C ATOM 245 CG ARG A 20 -11.115 -6.653 -11.838 1.00 0.00 C ATOM 246 CD ARG A 20 -12.266 -5.773 -11.374 1.00 0.00 C ATOM 247 NE ARG A 20 -13.300 -6.542 -10.687 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.093 -7.417 -11.296 1.00 0.00 C ATOM 249 NH1 ARG A 20 -13.970 -7.633 -12.599 1.00 0.00 N ATOM 250 NH2 ARG A 20 -15.010 -8.079 -10.603 1.00 0.00 N ATOM 0 H ARG A 20 -7.641 -6.626 -10.923 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.025 -5.289 -9.784 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.723 -8.051 -11.011 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.048 -7.638 -9.940 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.442 -6.072 -12.468 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.502 -7.467 -12.451 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.885 -5.000 -10.706 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.703 -5.265 -12.233 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.420 -6.400 -9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.265 -7.127 -13.136 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.580 -8.305 -13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.107 -7.917 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.618 -8.750 -11.072 1.00 0.00 H new ATOM 264 N PRO A 21 -9.720 -6.372 -7.541 1.00 0.00 N ATOM 265 CA PRO A 21 -9.410 -6.814 -6.178 1.00 0.00 C ATOM 266 C PRO A 21 -9.695 -8.297 -5.971 1.00 0.00 C ATOM 267 O PRO A 21 -10.185 -8.978 -6.872 1.00 0.00 O ATOM 268 CB PRO A 21 -10.340 -5.964 -5.309 1.00 0.00 C ATOM 269 CG PRO A 21 -11.478 -5.612 -6.204 1.00 0.00 C ATOM 270 CD PRO A 21 -10.896 -5.486 -7.585 1.00 0.00 C ATOM 0 HA PRO A 21 -8.353 -6.692 -5.940 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.681 -6.518 -4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.833 -5.071 -4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.250 -6.381 -6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.946 -4.679 -5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.606 -5.798 -8.351 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.616 -4.457 -7.811 1.00 0.00 H new ATOM 278 N LYS A 22 -9.386 -8.793 -4.778 1.00 0.00 N ATOM 279 CA LYS A 22 -9.611 -10.196 -4.450 1.00 0.00 C ATOM 280 C LYS A 22 -10.383 -10.333 -3.142 1.00 0.00 C ATOM 281 O LYS A 22 -10.703 -9.338 -2.492 1.00 0.00 O ATOM 282 CB LYS A 22 -8.276 -10.937 -4.347 1.00 0.00 C ATOM 283 CG LYS A 22 -7.326 -10.643 -5.495 1.00 0.00 C ATOM 284 CD LYS A 22 -7.594 -11.549 -6.686 1.00 0.00 C ATOM 285 CE LYS A 22 -7.208 -10.878 -7.995 1.00 0.00 C ATOM 286 NZ LYS A 22 -5.735 -10.893 -8.213 1.00 0.00 N ATOM 0 H LYS A 22 -8.979 -8.244 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.205 -10.639 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.792 -10.667 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.467 -12.009 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.431 -9.601 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.297 -10.775 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.033 -12.477 -6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.650 -11.816 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.703 -11.386 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.564 -9.848 -7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.520 -10.519 -9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.272 -10.302 -7.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.383 -11.869 -8.138 1.00 0.00 H new ATOM 300 N ALA A 23 -10.677 -11.571 -2.760 1.00 0.00 N ATOM 301 CA ALA A 23 -11.408 -11.837 -1.527 1.00 0.00 C ATOM 302 C ALA A 23 -10.622 -11.363 -0.310 1.00 0.00 C ATOM 303 O ALA A 23 -11.126 -10.589 0.505 1.00 0.00 O ATOM 304 CB ALA A 23 -11.722 -13.321 -1.410 1.00 0.00 C ATOM 0 H ALA A 23 -10.420 -12.406 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.344 -11.280 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.268 -13.506 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.331 -13.632 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.792 -13.890 -1.402 1.00 0.00 H new ATOM 310 N LYS A 24 -9.384 -11.832 -0.191 1.00 0.00 N ATOM 311 CA LYS A 24 -8.527 -11.456 0.927 1.00 0.00 C ATOM 312 C LYS A 24 -7.262 -10.762 0.433 1.00 0.00 C ATOM 313 O LYS A 24 -6.283 -10.639 1.169 1.00 0.00 O ATOM 314 CB LYS A 24 -8.156 -12.691 1.751 1.00 0.00 C ATOM 315 CG LYS A 24 -9.352 -13.541 2.144 1.00 0.00 C ATOM 316 CD LYS A 24 -9.059 -14.379 3.378 1.00 0.00 C ATOM 317 CE LYS A 24 -10.339 -14.822 4.068 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.860 -16.098 3.505 1.00 0.00 N ATOM 0 H LYS A 24 -8.952 -12.474 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.080 -10.760 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.458 -13.303 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.635 -12.372 2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.210 -12.897 2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.623 -14.195 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.476 -15.255 3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.450 -13.802 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.152 -14.945 5.135 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.095 -14.044 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.733 -16.366 4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.062 -15.974 2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.149 -16.847 3.627 1.00 0.00 H new ATOM 332 N GLU A 25 -7.290 -10.309 -0.816 1.00 0.00 N ATOM 333 CA GLU A 25 -6.144 -9.627 -1.407 1.00 0.00 C ATOM 334 C GLU A 25 -6.598 -8.495 -2.324 1.00 0.00 C ATOM 335 O GLU A 25 -7.703 -8.528 -2.867 1.00 0.00 O ATOM 336 CB GLU A 25 -5.281 -10.618 -2.190 1.00 0.00 C ATOM 337 CG GLU A 25 -4.731 -11.751 -1.339 1.00 0.00 C ATOM 338 CD GLU A 25 -4.498 -13.019 -2.137 1.00 0.00 C ATOM 339 OE1 GLU A 25 -5.338 -13.336 -3.004 1.00 0.00 O ATOM 340 OE2 GLU A 25 -3.476 -13.694 -1.894 1.00 0.00 O ATOM 0 H GLU A 25 -8.093 -10.402 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.551 -9.200 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.873 -11.039 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.450 -10.081 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.793 -11.435 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.426 -11.960 -0.526 1.00 0.00 H new ATOM 347 N ILE A 26 -5.738 -7.497 -2.492 1.00 0.00 N ATOM 348 CA ILE A 26 -6.050 -6.356 -3.344 1.00 0.00 C ATOM 349 C ILE A 26 -4.782 -5.739 -3.924 1.00 0.00 C ATOM 350 O ILE A 26 -3.787 -5.568 -3.221 1.00 0.00 O ATOM 351 CB ILE A 26 -6.827 -5.273 -2.572 1.00 0.00 C ATOM 352 CG1 ILE A 26 -8.029 -5.891 -1.854 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.278 -4.169 -3.518 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.898 -4.874 -1.147 1.00 0.00 C ATOM 0 H ILE A 26 -4.820 -7.455 -2.050 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.673 -6.730 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.166 -4.836 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.635 -6.434 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.672 -6.620 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.826 -3.411 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.406 -3.714 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.926 -4.591 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.730 -5.382 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.306 -4.348 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.284 -4.158 -1.873 1.00 0.00 H new ATOM 366 N GLN A 27 -4.826 -5.407 -5.210 1.00 0.00 N ATOM 367 CA GLN A 27 -3.680 -4.809 -5.884 1.00 0.00 C ATOM 368 C GLN A 27 -3.839 -3.295 -5.988 1.00 0.00 C ATOM 369 O GLN A 27 -4.945 -2.788 -6.183 1.00 0.00 O ATOM 370 CB GLN A 27 -3.510 -5.412 -7.279 1.00 0.00 C ATOM 371 CG GLN A 27 -3.055 -6.862 -7.264 1.00 0.00 C ATOM 372 CD GLN A 27 -3.432 -7.607 -8.529 1.00 0.00 C ATOM 373 OE1 GLN A 27 -2.726 -7.542 -9.536 1.00 0.00 O ATOM 374 NE2 GLN A 27 -4.552 -8.319 -8.485 1.00 0.00 N ATOM 0 H GLN A 27 -5.643 -5.542 -5.806 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.790 -5.023 -5.292 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.457 -5.343 -7.813 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.785 -4.818 -7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.973 -6.898 -7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.495 -7.368 -6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.107 -8.345 -7.629 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.858 -8.840 -9.307 1.00 0.00 H new ATOM 383 N LEU A 28 -2.728 -2.579 -5.856 1.00 0.00 N ATOM 384 CA LEU A 28 -2.744 -1.122 -5.934 1.00 0.00 C ATOM 385 C LEU A 28 -1.648 -0.615 -6.866 1.00 0.00 C ATOM 386 O LEU A 28 -0.670 -1.315 -7.128 1.00 0.00 O ATOM 387 CB LEU A 28 -2.566 -0.515 -4.541 1.00 0.00 C ATOM 388 CG LEU A 28 -3.582 -0.949 -3.485 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.977 -0.860 -2.093 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.842 -0.101 -3.576 1.00 0.00 C ATOM 0 H LEU A 28 -1.805 -2.983 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.709 -0.815 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.568 -0.767 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.607 0.570 -4.632 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.853 -1.988 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.715 -1.173 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.105 -1.511 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.676 0.168 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.554 -0.424 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.588 0.946 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.288 -0.217 -4.564 1.00 0.00 H new ATOM 402 N ARG A 29 -1.818 0.606 -7.361 1.00 0.00 N ATOM 403 CA ARG A 29 -0.842 1.207 -8.263 1.00 0.00 C ATOM 404 C ARG A 29 -0.828 2.726 -8.114 1.00 0.00 C ATOM 405 O ARG A 29 -1.736 3.414 -8.582 1.00 0.00 O ATOM 406 CB ARG A 29 -1.155 0.829 -9.712 1.00 0.00 C ATOM 407 CG ARG A 29 -0.355 1.620 -10.734 1.00 0.00 C ATOM 408 CD ARG A 29 -0.366 0.943 -12.095 1.00 0.00 C ATOM 409 NE ARG A 29 -1.512 1.353 -12.902 1.00 0.00 N ATOM 410 CZ ARG A 29 -1.639 1.072 -14.194 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.696 0.384 -14.822 1.00 0.00 N ATOM 412 NH2 ARG A 29 -2.711 1.480 -14.861 1.00 0.00 N ATOM 0 H ARG A 29 -2.622 1.199 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 29 0.144 0.824 -7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.958 -0.234 -9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.218 0.983 -9.897 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.769 2.625 -10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.673 1.728 -10.388 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.555 1.182 -12.626 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.385 -0.139 -11.961 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.256 1.884 -12.449 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.130 0.069 -14.313 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.796 0.170 -15.814 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.439 2.010 -14.382 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.807 1.264 -15.853 1.00 0.00 H new ATOM 426 N TRP A 30 0.207 3.241 -7.461 1.00 0.00 N ATOM 427 CA TRP A 30 0.338 4.679 -7.250 1.00 0.00 C ATOM 428 C TRP A 30 1.600 5.214 -7.919 1.00 0.00 C ATOM 429 O TRP A 30 2.315 4.476 -8.596 1.00 0.00 O ATOM 430 CB TRP A 30 0.366 4.995 -5.754 1.00 0.00 C ATOM 431 CG TRP A 30 1.491 4.323 -5.026 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.685 4.880 -4.668 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.526 2.967 -4.568 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.460 3.952 -4.016 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.772 2.771 -3.941 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.625 1.899 -4.626 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.137 1.551 -3.378 1.00 0.00 C ATOM 438 CZ3 TRP A 30 0.990 0.689 -4.066 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.236 0.523 -3.448 1.00 0.00 C ATOM 0 H TRP A 30 0.967 2.686 -7.069 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.525 5.168 -7.701 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.448 6.073 -5.619 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.580 4.689 -5.308 1.00 0.00 H new ATOM 0 HD1 TRP A 30 2.977 5.900 -4.868 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.397 4.116 -3.647 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.338 2.017 -5.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.098 1.420 -2.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.302 -0.143 -4.106 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.491 -0.435 -3.018 1.00 0.00 H new ATOM 450 N GLY A 31 1.867 6.501 -7.725 1.00 0.00 N ATOM 451 CA GLY A 31 3.043 7.112 -8.317 1.00 0.00 C ATOM 452 C GLY A 31 3.720 8.093 -7.380 1.00 0.00 C ATOM 453 O GLY A 31 3.253 8.348 -6.270 1.00 0.00 O ATOM 0 H GLY A 31 1.290 7.132 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.752 6.333 -8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.758 7.628 -9.234 1.00 0.00 H new ATOM 457 N PRO A 32 4.849 8.662 -7.828 1.00 0.00 N ATOM 458 CA PRO A 32 5.616 9.629 -7.037 1.00 0.00 C ATOM 459 C PRO A 32 4.890 10.961 -6.886 1.00 0.00 C ATOM 460 O PRO A 32 4.284 11.475 -7.826 1.00 0.00 O ATOM 461 CB PRO A 32 6.902 9.810 -7.848 1.00 0.00 C ATOM 462 CG PRO A 32 6.518 9.473 -9.247 1.00 0.00 C ATOM 463 CD PRO A 32 5.464 8.406 -9.141 1.00 0.00 C ATOM 0 HA PRO A 32 5.784 9.280 -6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.276 10.831 -7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.694 9.154 -7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.135 10.350 -9.769 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.379 9.117 -9.813 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.735 8.480 -9.948 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.897 7.407 -9.194 1.00 0.00 H new ATOM 471 N PRO A 33 4.950 11.535 -5.675 1.00 0.00 N ATOM 472 CA PRO A 33 4.304 12.815 -5.372 1.00 0.00 C ATOM 473 C PRO A 33 4.985 13.987 -6.070 1.00 0.00 C ATOM 474 O PRO A 33 6.100 13.858 -6.577 1.00 0.00 O ATOM 475 CB PRO A 33 4.452 12.937 -3.854 1.00 0.00 C ATOM 476 CG PRO A 33 5.648 12.114 -3.522 1.00 0.00 C ATOM 477 CD PRO A 33 5.655 10.978 -4.508 1.00 0.00 C ATOM 0 HA PRO A 33 3.270 12.841 -5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.590 13.975 -3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.564 12.570 -3.339 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.561 12.704 -3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.594 11.742 -2.499 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.670 10.671 -4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.146 10.099 -4.112 1.00 0.00 H new ATOM 485 N LEU A 34 4.309 15.131 -6.092 1.00 0.00 N ATOM 486 CA LEU A 34 4.850 16.327 -6.728 1.00 0.00 C ATOM 487 C LEU A 34 5.834 17.037 -5.803 1.00 0.00 C ATOM 488 O LEU A 34 6.861 17.550 -6.249 1.00 0.00 O ATOM 489 CB LEU A 34 3.717 17.280 -7.114 1.00 0.00 C ATOM 490 CG LEU A 34 3.127 17.090 -8.512 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.695 17.597 -8.560 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.982 17.799 -9.552 1.00 0.00 C ATOM 0 H LEU A 34 3.386 15.255 -5.677 1.00 0.00 H new ATOM 0 HA LEU A 34 5.382 16.021 -7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.914 17.172 -6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.086 18.303 -7.033 1.00 0.00 H new ATOM 0 HG LEU A 34 3.121 16.024 -8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.292 17.454 -9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.089 17.044 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.676 18.658 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.547 17.653 -10.541 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.021 18.865 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.991 17.388 -9.535 1.00 0.00 H new ATOM 504 N VAL A 35 5.515 17.061 -4.513 1.00 0.00 N ATOM 505 CA VAL A 35 6.372 17.704 -3.525 1.00 0.00 C ATOM 506 C VAL A 35 7.196 16.675 -2.759 1.00 0.00 C ATOM 507 O VAL A 35 6.689 16.001 -1.863 1.00 0.00 O ATOM 508 CB VAL A 35 5.549 18.535 -2.523 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.430 19.562 -1.829 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.381 19.211 -3.226 1.00 0.00 C ATOM 0 H VAL A 35 4.669 16.642 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 35 7.042 18.368 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 35 5.148 17.864 -1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.831 20.139 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.230 19.052 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.862 20.232 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.810 19.794 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.759 19.871 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.736 18.453 -3.671 1.00 0.00 H new ATOM 520 N ASP A 36 8.471 16.561 -3.117 1.00 0.00 N ATOM 521 CA ASP A 36 9.367 15.615 -2.462 1.00 0.00 C ATOM 522 C ASP A 36 10.215 16.314 -1.404 1.00 0.00 C ATOM 523 O ASP A 36 11.215 15.770 -0.937 1.00 0.00 O ATOM 524 CB ASP A 36 10.271 14.939 -3.494 1.00 0.00 C ATOM 525 CG ASP A 36 11.292 15.893 -4.083 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.845 16.714 -3.322 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.537 15.817 -5.305 1.00 0.00 O ATOM 0 H ASP A 36 8.907 17.112 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 36 8.759 14.856 -1.971 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.788 14.101 -3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.658 14.527 -4.296 1.00 0.00 H new ATOM 532 N GLY A 37 9.809 17.524 -1.032 1.00 0.00 N ATOM 533 CA GLY A 37 10.544 18.278 -0.032 1.00 0.00 C ATOM 534 C GLY A 37 11.909 18.716 -0.524 1.00 0.00 C ATOM 535 O GLY A 37 12.792 19.033 0.272 1.00 0.00 O ATOM 0 H GLY A 37 8.985 17.996 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.965 19.156 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.662 17.668 0.864 1.00 0.00 H new ATOM 539 N GLY A 38 12.085 18.732 -1.842 1.00 0.00 N ATOM 540 CA GLY A 38 13.356 19.134 -2.417 1.00 0.00 C ATOM 541 C GLY A 38 14.260 17.952 -2.707 1.00 0.00 C ATOM 542 O GLY A 38 15.076 17.998 -3.627 1.00 0.00 O ATOM 0 H GLY A 38 11.370 18.474 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.176 19.685 -3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.862 19.815 -1.733 1.00 0.00 H new ATOM 546 N SER A 39 14.116 16.891 -1.919 1.00 0.00 N ATOM 547 CA SER A 39 14.931 15.695 -2.092 1.00 0.00 C ATOM 548 C SER A 39 14.151 14.608 -2.827 1.00 0.00 C ATOM 549 O SER A 39 12.945 14.444 -2.644 1.00 0.00 O ATOM 550 CB SER A 39 15.401 15.171 -0.734 1.00 0.00 C ATOM 551 OG SER A 39 16.658 14.526 -0.844 1.00 0.00 O ATOM 0 H SER A 39 13.443 16.836 -1.155 1.00 0.00 H new ATOM 0 HA SER A 39 15.802 15.962 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.473 15.997 -0.027 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.664 14.474 -0.335 1.00 0.00 H new ATOM 0 HG SER A 39 16.526 13.555 -0.870 1.00 0.00 H new ATOM 557 N PRO A 40 14.856 13.848 -3.678 1.00 0.00 N ATOM 558 CA PRO A 40 14.251 12.763 -4.457 1.00 0.00 C ATOM 559 C PRO A 40 13.843 11.581 -3.585 1.00 0.00 C ATOM 560 O PRO A 40 14.685 10.949 -2.946 1.00 0.00 O ATOM 561 CB PRO A 40 15.367 12.356 -5.422 1.00 0.00 C ATOM 562 CG PRO A 40 16.627 12.751 -4.734 1.00 0.00 C ATOM 563 CD PRO A 40 16.297 13.988 -3.945 1.00 0.00 C ATOM 0 HA PRO A 40 13.333 13.079 -4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.345 11.285 -5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.265 12.863 -6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.981 11.954 -4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.420 12.948 -5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.873 14.041 -3.021 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.515 14.895 -4.509 1.00 0.00 H new ATOM 571 N ILE A 41 12.547 11.287 -3.563 1.00 0.00 N ATOM 572 CA ILE A 41 12.028 10.179 -2.771 1.00 0.00 C ATOM 573 C ILE A 41 13.008 9.010 -2.753 1.00 0.00 C ATOM 574 O ILE A 41 13.637 8.699 -3.764 1.00 0.00 O ATOM 575 CB ILE A 41 10.671 9.689 -3.309 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.667 10.843 -3.348 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.143 8.548 -2.452 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.388 11.447 -1.990 1.00 0.00 C ATOM 0 H ILE A 41 11.837 11.801 -4.085 1.00 0.00 H new ATOM 0 HA ILE A 41 11.893 10.553 -1.756 1.00 0.00 H new ATOM 0 HB ILE A 41 10.811 9.320 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.045 11.621 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.731 10.485 -3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.183 8.212 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.852 7.721 -2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.015 8.893 -1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.668 12.259 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.980 10.683 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.315 11.836 -1.567 1.00 0.00 H new ATOM 590 N SER A 42 13.130 8.366 -1.597 1.00 0.00 N ATOM 591 CA SER A 42 14.034 7.231 -1.446 1.00 0.00 C ATOM 592 C SER A 42 13.253 5.940 -1.226 1.00 0.00 C ATOM 593 O SER A 42 13.609 4.887 -1.758 1.00 0.00 O ATOM 594 CB SER A 42 14.992 7.468 -0.277 1.00 0.00 C ATOM 595 OG SER A 42 16.018 6.491 -0.254 1.00 0.00 O ATOM 0 H SER A 42 12.615 8.610 -0.751 1.00 0.00 H new ATOM 0 HA SER A 42 14.611 7.132 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.433 8.461 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.439 7.442 0.662 1.00 0.00 H new ATOM 0 HG SER A 42 16.618 6.665 0.501 1.00 0.00 H new ATOM 601 N CYS A 43 12.187 6.028 -0.438 1.00 0.00 N ATOM 602 CA CYS A 43 11.355 4.866 -0.145 1.00 0.00 C ATOM 603 C CYS A 43 9.930 5.290 0.197 1.00 0.00 C ATOM 604 O CYS A 43 9.714 6.331 0.820 1.00 0.00 O ATOM 605 CB CYS A 43 11.952 4.063 1.012 1.00 0.00 C ATOM 606 SG CYS A 43 13.512 3.241 0.611 1.00 0.00 S ATOM 0 H CYS A 43 11.879 6.891 0.009 1.00 0.00 H new ATOM 0 HA CYS A 43 11.325 4.238 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.112 4.730 1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.229 3.312 1.330 1.00 0.00 H new ATOM 0 HG CYS A 43 13.935 3.654 -0.547 1.00 0.00 H new ATOM 612 N TYR A 44 8.962 4.480 -0.215 1.00 0.00 N ATOM 613 CA TYR A 44 7.557 4.773 0.044 1.00 0.00 C ATOM 614 C TYR A 44 6.985 3.820 1.088 1.00 0.00 C ATOM 615 O TYR A 44 7.622 2.834 1.460 1.00 0.00 O ATOM 616 CB TYR A 44 6.748 4.676 -1.250 1.00 0.00 C ATOM 617 CG TYR A 44 7.070 5.764 -2.250 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.484 7.019 -2.153 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.962 5.536 -3.291 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.775 8.016 -3.064 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.260 6.527 -4.206 1.00 0.00 C ATOM 622 CZ TYR A 44 7.663 7.765 -4.089 1.00 0.00 C ATOM 623 OH TYR A 44 7.957 8.755 -4.998 1.00 0.00 O ATOM 0 H TYR A 44 9.124 3.615 -0.730 1.00 0.00 H new ATOM 0 HA TYR A 44 7.489 5.789 0.432 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.931 3.705 -1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.686 4.719 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.789 7.219 -1.351 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.430 4.567 -3.386 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.310 8.986 -2.974 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.956 6.334 -5.008 1.00 0.00 H new ATOM 0 HH TYR A 44 8.600 8.415 -5.655 1.00 0.00 H new ATOM 633 N SER A 45 5.779 4.121 1.557 1.00 0.00 N ATOM 634 CA SER A 45 5.120 3.293 2.561 1.00 0.00 C ATOM 635 C SER A 45 3.603 3.379 2.425 1.00 0.00 C ATOM 636 O SER A 45 3.031 4.468 2.393 1.00 0.00 O ATOM 637 CB SER A 45 5.543 3.726 3.966 1.00 0.00 C ATOM 638 OG SER A 45 4.620 3.269 4.940 1.00 0.00 O ATOM 0 H SER A 45 5.238 4.932 1.258 1.00 0.00 H new ATOM 0 HA SER A 45 5.424 2.259 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.535 3.333 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.614 4.813 4.009 1.00 0.00 H new ATOM 0 HG SER A 45 5.088 3.114 5.787 1.00 0.00 H new ATOM 644 N VAL A 46 2.956 2.220 2.346 1.00 0.00 N ATOM 645 CA VAL A 46 1.505 2.162 2.215 1.00 0.00 C ATOM 646 C VAL A 46 0.855 1.683 3.508 1.00 0.00 C ATOM 647 O VAL A 46 1.080 0.555 3.946 1.00 0.00 O ATOM 648 CB VAL A 46 1.083 1.229 1.064 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.428 1.051 1.049 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.578 1.770 -0.268 1.00 0.00 C ATOM 0 H VAL A 46 3.414 1.309 2.370 1.00 0.00 H new ATOM 0 HA VAL A 46 1.166 3.174 1.995 1.00 0.00 H new ATOM 0 HB VAL A 46 1.538 0.252 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.708 0.389 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.753 0.616 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.907 2.020 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.271 1.099 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.153 2.759 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.666 1.841 -0.250 1.00 0.00 H new ATOM 660 N GLU A 47 0.048 2.547 4.114 1.00 0.00 N ATOM 661 CA GLU A 47 -0.635 2.211 5.358 1.00 0.00 C ATOM 662 C GLU A 47 -2.118 1.950 5.111 1.00 0.00 C ATOM 663 O GLU A 47 -2.891 2.878 4.872 1.00 0.00 O ATOM 664 CB GLU A 47 -0.467 3.339 6.378 1.00 0.00 C ATOM 665 CG GLU A 47 -1.276 3.136 7.649 1.00 0.00 C ATOM 666 CD GLU A 47 -1.111 4.277 8.634 1.00 0.00 C ATOM 667 OE1 GLU A 47 -0.015 4.403 9.217 1.00 0.00 O ATOM 668 OE2 GLU A 47 -2.080 5.043 8.821 1.00 0.00 O ATOM 0 H GLU A 47 -0.149 3.485 3.764 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.185 1.301 5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.588 3.428 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.761 4.282 5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.330 3.033 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.971 2.204 8.124 1.00 0.00 H new ATOM 675 N MET A 48 -2.507 0.681 5.170 1.00 0.00 N ATOM 676 CA MET A 48 -3.898 0.297 4.954 1.00 0.00 C ATOM 677 C MET A 48 -4.624 0.113 6.283 1.00 0.00 C ATOM 678 O MET A 48 -4.018 -0.267 7.284 1.00 0.00 O ATOM 679 CB MET A 48 -3.972 -0.993 4.136 1.00 0.00 C ATOM 680 CG MET A 48 -5.386 -1.520 3.959 1.00 0.00 C ATOM 681 SD MET A 48 -5.426 -3.269 3.522 1.00 0.00 S ATOM 682 CE MET A 48 -5.167 -4.024 5.125 1.00 0.00 C ATOM 0 H MET A 48 -1.879 -0.099 5.365 1.00 0.00 H new ATOM 0 HA MET A 48 -4.388 1.098 4.401 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.533 -0.816 3.154 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.366 -1.757 4.623 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.945 -1.367 4.882 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.890 -0.944 3.183 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.312 -4.699 5.076 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.974 -3.248 5.866 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.056 -4.586 5.411 1.00 0.00 H new ATOM 692 N SER A 49 -5.925 0.386 6.284 1.00 0.00 N ATOM 693 CA SER A 49 -6.732 0.254 7.491 1.00 0.00 C ATOM 694 C SER A 49 -8.191 -0.023 7.141 1.00 0.00 C ATOM 695 O SER A 49 -8.760 0.571 6.225 1.00 0.00 O ATOM 696 CB SER A 49 -6.632 1.523 8.339 1.00 0.00 C ATOM 697 OG SER A 49 -7.839 1.764 9.041 1.00 0.00 O ATOM 0 H SER A 49 -6.442 0.700 5.463 1.00 0.00 H new ATOM 0 HA SER A 49 -6.347 -0.589 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.809 1.427 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.404 2.375 7.699 1.00 0.00 H new ATOM 0 HG SER A 49 -7.749 2.580 9.577 1.00 0.00 H new ATOM 703 N PRO A 50 -8.813 -0.948 7.888 1.00 0.00 N ATOM 704 CA PRO A 50 -10.213 -1.326 7.676 1.00 0.00 C ATOM 705 C PRO A 50 -11.179 -0.215 8.073 1.00 0.00 C ATOM 706 O PRO A 50 -11.476 -0.031 9.254 1.00 0.00 O ATOM 707 CB PRO A 50 -10.394 -2.542 8.587 1.00 0.00 C ATOM 708 CG PRO A 50 -9.367 -2.374 9.653 1.00 0.00 C ATOM 709 CD PRO A 50 -8.196 -1.696 8.996 1.00 0.00 C ATOM 0 HA PRO A 50 -10.427 -1.527 6.626 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.399 -2.575 9.008 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.247 -3.473 8.039 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.754 -1.774 10.477 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.076 -3.338 10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.675 -1.033 9.687 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.464 -2.418 8.635 1.00 0.00 H new ATOM 717 N ILE A 51 -11.666 0.522 7.080 1.00 0.00 N ATOM 718 CA ILE A 51 -12.600 1.613 7.327 1.00 0.00 C ATOM 719 C ILE A 51 -13.453 1.339 8.561 1.00 0.00 C ATOM 720 O ILE A 51 -13.672 2.226 9.386 1.00 0.00 O ATOM 721 CB ILE A 51 -13.526 1.846 6.118 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.789 2.593 6.552 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.887 0.521 5.464 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.448 3.367 5.431 1.00 0.00 C ATOM 0 H ILE A 51 -11.429 0.383 6.098 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.001 2.508 7.494 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.997 2.458 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.504 1.877 6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.535 3.282 7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.542 0.702 4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.979 0.023 5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.400 -0.114 6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.337 3.871 5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.750 4.107 5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.733 2.681 4.634 1.00 0.00 H new ATOM 736 N GLU A 52 -13.931 0.104 8.681 1.00 0.00 N ATOM 737 CA GLU A 52 -14.760 -0.287 9.815 1.00 0.00 C ATOM 738 C GLU A 52 -14.083 0.077 11.134 1.00 0.00 C ATOM 739 O GLU A 52 -14.687 0.706 12.003 1.00 0.00 O ATOM 740 CB GLU A 52 -15.045 -1.789 9.773 1.00 0.00 C ATOM 741 CG GLU A 52 -13.810 -2.636 9.516 1.00 0.00 C ATOM 742 CD GLU A 52 -14.138 -4.105 9.329 1.00 0.00 C ATOM 743 OE1 GLU A 52 -15.097 -4.585 9.968 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.435 -4.774 8.542 1.00 0.00 O ATOM 0 H GLU A 52 -13.758 -0.642 8.007 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.703 0.256 9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.492 -2.092 10.720 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.781 -1.989 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.299 -2.266 8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.118 -2.526 10.351 1.00 0.00 H new ATOM 751 N LYS A 53 -12.824 -0.324 11.276 1.00 0.00 N ATOM 752 CA LYS A 53 -12.063 -0.041 12.487 1.00 0.00 C ATOM 753 C LYS A 53 -10.729 0.618 12.150 1.00 0.00 C ATOM 754 O LYS A 53 -10.094 0.280 11.150 1.00 0.00 O ATOM 755 CB LYS A 53 -11.822 -1.330 13.276 1.00 0.00 C ATOM 756 CG LYS A 53 -10.996 -2.359 12.522 1.00 0.00 C ATOM 757 CD LYS A 53 -11.006 -3.706 13.226 1.00 0.00 C ATOM 758 CE LYS A 53 -10.288 -4.767 12.407 1.00 0.00 C ATOM 759 NZ LYS A 53 -10.773 -6.138 12.729 1.00 0.00 N ATOM 0 H LYS A 53 -12.309 -0.846 10.567 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.645 0.649 13.099 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.317 -1.085 14.211 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.784 -1.770 13.539 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.389 -2.473 11.512 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.970 -2.004 12.427 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.528 -3.612 14.201 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.035 -4.017 13.404 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.437 -4.569 11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.216 -4.707 12.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.259 -6.833 12.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.608 -6.337 13.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.791 -6.203 12.526 1.00 0.00 H new ATOM 773 N ASP A 54 -10.309 1.557 12.990 1.00 0.00 N ATOM 774 CA ASP A 54 -9.049 2.261 12.782 1.00 0.00 C ATOM 775 C ASP A 54 -7.867 1.395 13.204 1.00 0.00 C ATOM 776 O ASP A 54 -7.311 1.573 14.288 1.00 0.00 O ATOM 777 CB ASP A 54 -9.040 3.576 13.564 1.00 0.00 C ATOM 778 CG ASP A 54 -7.845 4.444 13.223 1.00 0.00 C ATOM 779 OD1 ASP A 54 -6.765 4.225 13.810 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.990 5.343 12.368 1.00 0.00 O ATOM 0 H ASP A 54 -10.823 1.849 13.822 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.954 2.480 11.718 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.957 4.127 13.354 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.035 3.360 14.632 1.00 0.00 H new ATOM 785 N GLU A 55 -7.488 0.458 12.341 1.00 0.00 N ATOM 786 CA GLU A 55 -6.373 -0.437 12.627 1.00 0.00 C ATOM 787 C GLU A 55 -5.327 -0.374 11.517 1.00 0.00 C ATOM 788 O GLU A 55 -5.120 -1.330 10.769 1.00 0.00 O ATOM 789 CB GLU A 55 -6.872 -1.874 12.791 1.00 0.00 C ATOM 790 CG GLU A 55 -6.041 -2.700 13.759 1.00 0.00 C ATOM 791 CD GLU A 55 -4.917 -3.450 13.070 1.00 0.00 C ATOM 792 OE1 GLU A 55 -3.924 -2.801 12.681 1.00 0.00 O ATOM 793 OE2 GLU A 55 -5.031 -4.684 12.921 1.00 0.00 O ATOM 0 H GLU A 55 -7.936 0.299 11.439 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.910 -0.113 13.559 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.905 -1.854 13.138 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.873 -2.363 11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.621 -2.045 14.522 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.688 -3.412 14.271 1.00 0.00 H new ATOM 800 N PRO A 56 -4.652 0.779 11.406 1.00 0.00 N ATOM 801 CA PRO A 56 -3.616 0.996 10.391 1.00 0.00 C ATOM 802 C PRO A 56 -2.361 0.173 10.659 1.00 0.00 C ATOM 803 O PRO A 56 -2.007 -0.080 11.811 1.00 0.00 O ATOM 804 CB PRO A 56 -3.311 2.491 10.509 1.00 0.00 C ATOM 805 CG PRO A 56 -3.682 2.844 11.908 1.00 0.00 C ATOM 806 CD PRO A 56 -4.846 1.961 12.263 1.00 0.00 C ATOM 0 HA PRO A 56 -3.948 0.692 9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.258 2.697 10.315 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.888 3.071 9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.846 2.679 12.587 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.953 3.897 11.986 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.841 1.696 13.320 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.798 2.451 12.062 1.00 0.00 H new ATOM 814 N ARG A 57 -1.691 -0.242 9.588 1.00 0.00 N ATOM 815 CA ARG A 57 -0.475 -1.037 9.709 1.00 0.00 C ATOM 816 C ARG A 57 0.266 -1.102 8.376 1.00 0.00 C ATOM 817 O ARG A 57 -0.320 -1.433 7.346 1.00 0.00 O ATOM 818 CB ARG A 57 -0.810 -2.451 10.188 1.00 0.00 C ATOM 819 CG ARG A 57 -1.396 -3.339 9.102 1.00 0.00 C ATOM 820 CD ARG A 57 -2.714 -2.788 8.581 1.00 0.00 C ATOM 821 NE ARG A 57 -3.612 -3.849 8.134 1.00 0.00 N ATOM 822 CZ ARG A 57 -4.106 -4.782 8.940 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.791 -4.785 10.228 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.918 -5.714 8.458 1.00 0.00 N ATOM 0 H ARG A 57 -1.970 -0.041 8.628 1.00 0.00 H new ATOM 0 HA ARG A 57 0.172 -0.556 10.443 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.095 -2.917 10.578 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.518 -2.387 11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.686 -3.426 8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.551 -4.343 9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.200 -2.208 9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.520 -2.105 7.754 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.874 -3.875 7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.168 -4.070 10.602 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.172 -5.503 10.845 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.163 -5.714 7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.297 -6.430 9.078 1.00 0.00 H new ATOM 838 N GLU A 58 1.556 -0.784 8.406 1.00 0.00 N ATOM 839 CA GLU A 58 2.376 -0.805 7.200 1.00 0.00 C ATOM 840 C GLU A 58 2.274 -2.155 6.497 1.00 0.00 C ATOM 841 O GLU A 58 2.834 -3.151 6.957 1.00 0.00 O ATOM 842 CB GLU A 58 3.836 -0.506 7.544 1.00 0.00 C ATOM 843 CG GLU A 58 4.809 -0.867 6.435 1.00 0.00 C ATOM 844 CD GLU A 58 6.254 -0.844 6.896 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.642 0.125 7.581 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.996 -1.795 6.571 1.00 0.00 O ATOM 0 H GLU A 58 2.056 -0.509 9.251 1.00 0.00 H new ATOM 0 HA GLU A 58 2.004 -0.034 6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.937 0.555 7.773 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.107 -1.054 8.446 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.569 -1.860 6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.685 -0.170 5.606 1.00 0.00 H new ATOM 853 N VAL A 59 1.555 -2.181 5.380 1.00 0.00 N ATOM 854 CA VAL A 59 1.379 -3.408 4.612 1.00 0.00 C ATOM 855 C VAL A 59 2.374 -3.482 3.459 1.00 0.00 C ATOM 856 O VAL A 59 2.481 -4.505 2.782 1.00 0.00 O ATOM 857 CB VAL A 59 -0.051 -3.519 4.049 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.058 -3.677 5.178 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.382 -2.304 3.195 1.00 0.00 C ATOM 0 H VAL A 59 1.085 -1.366 4.986 1.00 0.00 H new ATOM 0 HA VAL A 59 1.557 -4.237 5.296 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.107 -4.405 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.062 -3.754 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.830 -4.580 5.745 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.004 -2.811 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.396 -2.398 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.309 -1.402 3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.322 -2.240 2.365 1.00 0.00 H new ATOM 869 N TYR A 60 3.101 -2.392 3.241 1.00 0.00 N ATOM 870 CA TYR A 60 4.087 -2.332 2.169 1.00 0.00 C ATOM 871 C TYR A 60 5.127 -1.251 2.445 1.00 0.00 C ATOM 872 O TYR A 60 4.833 -0.241 3.083 1.00 0.00 O ATOM 873 CB TYR A 60 3.398 -2.062 0.830 1.00 0.00 C ATOM 874 CG TYR A 60 4.328 -2.159 -0.359 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.613 -3.387 -0.945 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.921 -1.023 -0.896 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.462 -3.480 -2.030 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.770 -1.107 -1.983 1.00 0.00 C ATOM 879 CZ TYR A 60 6.038 -2.337 -2.546 1.00 0.00 C ATOM 880 OH TYR A 60 6.884 -2.425 -3.627 1.00 0.00 O ATOM 0 H TYR A 60 3.026 -1.537 3.793 1.00 0.00 H new ATOM 0 HA TYR A 60 4.595 -3.295 2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.581 -2.772 0.701 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.954 -1.067 0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.163 -4.283 -0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.715 -0.058 -0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.674 -4.442 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.221 -0.214 -2.390 1.00 0.00 H new ATOM 0 HH TYR A 60 6.624 -3.188 -4.185 1.00 0.00 H new ATOM 890 N GLN A 61 6.344 -1.472 1.959 1.00 0.00 N ATOM 891 CA GLN A 61 7.429 -0.518 2.153 1.00 0.00 C ATOM 892 C GLN A 61 8.630 -0.874 1.283 1.00 0.00 C ATOM 893 O GLN A 61 9.306 -1.874 1.519 1.00 0.00 O ATOM 894 CB GLN A 61 7.845 -0.479 3.625 1.00 0.00 C ATOM 895 CG GLN A 61 8.778 0.673 3.963 1.00 0.00 C ATOM 896 CD GLN A 61 9.031 0.801 5.452 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.859 0.087 6.017 1.00 0.00 O ATOM 898 NE2 GLN A 61 8.316 1.716 6.097 1.00 0.00 N ATOM 0 H GLN A 61 6.603 -2.303 1.428 1.00 0.00 H new ATOM 0 HA GLN A 61 7.069 0.468 1.858 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.951 -0.406 4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.334 -1.419 3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.728 0.529 3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.350 1.603 3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.640 2.286 5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.443 1.848 7.100 1.00 0.00 H new ATOM 907 N GLY A 62 8.889 -0.048 0.273 1.00 0.00 N ATOM 908 CA GLY A 62 10.008 -0.293 -0.618 1.00 0.00 C ATOM 909 C GLY A 62 10.376 0.928 -1.436 1.00 0.00 C ATOM 910 O GLY A 62 10.406 2.045 -0.919 1.00 0.00 O ATOM 0 H GLY A 62 8.344 0.786 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.872 -0.608 -0.033 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.760 -1.115 -1.289 1.00 0.00 H new ATOM 914 N SER A 63 10.659 0.717 -2.718 1.00 0.00 N ATOM 915 CA SER A 63 11.032 1.810 -3.608 1.00 0.00 C ATOM 916 C SER A 63 10.061 1.911 -4.781 1.00 0.00 C ATOM 917 O SER A 63 10.001 2.933 -5.463 1.00 0.00 O ATOM 918 CB SER A 63 12.457 1.608 -4.128 1.00 0.00 C ATOM 919 OG SER A 63 12.483 0.683 -5.201 1.00 0.00 O ATOM 0 H SER A 63 10.637 -0.201 -3.163 1.00 0.00 H new ATOM 0 HA SER A 63 10.987 2.739 -3.040 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.866 2.563 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.095 1.250 -3.320 1.00 0.00 H new ATOM 0 HG SER A 63 13.404 0.573 -5.516 1.00 0.00 H new ATOM 925 N GLU A 64 9.303 0.843 -5.007 1.00 0.00 N ATOM 926 CA GLU A 64 8.335 0.811 -6.097 1.00 0.00 C ATOM 927 C GLU A 64 7.068 1.574 -5.723 1.00 0.00 C ATOM 928 O GLU A 64 6.920 2.037 -4.591 1.00 0.00 O ATOM 929 CB GLU A 64 7.986 -0.634 -6.457 1.00 0.00 C ATOM 930 CG GLU A 64 8.899 -1.237 -7.511 1.00 0.00 C ATOM 931 CD GLU A 64 8.203 -2.291 -8.352 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.358 -1.918 -9.191 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.506 -3.489 -8.169 1.00 0.00 O ATOM 0 H GLU A 64 9.340 -0.011 -4.450 1.00 0.00 H new ATOM 0 HA GLU A 64 8.787 1.294 -6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.032 -1.245 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.957 -0.672 -6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.270 -0.445 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.767 -1.681 -7.024 1.00 0.00 H new ATOM 940 N VAL A 65 6.156 1.702 -6.681 1.00 0.00 N ATOM 941 CA VAL A 65 4.901 2.409 -6.453 1.00 0.00 C ATOM 942 C VAL A 65 3.704 1.501 -6.715 1.00 0.00 C ATOM 943 O VAL A 65 2.602 1.975 -6.987 1.00 0.00 O ATOM 944 CB VAL A 65 4.789 3.658 -7.346 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.015 4.544 -7.182 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.603 3.257 -8.802 1.00 0.00 C ATOM 0 H VAL A 65 6.263 1.325 -7.623 1.00 0.00 H new ATOM 0 HA VAL A 65 4.898 2.718 -5.408 1.00 0.00 H new ATOM 0 HB VAL A 65 3.914 4.228 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.918 5.422 -7.821 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.099 4.860 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.908 3.986 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.526 4.152 -9.419 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.458 2.664 -9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.692 2.667 -8.903 1.00 0.00 H new ATOM 956 N GLU A 66 3.930 0.194 -6.630 1.00 0.00 N ATOM 957 CA GLU A 66 2.869 -0.780 -6.858 1.00 0.00 C ATOM 958 C GLU A 66 3.114 -2.051 -6.050 1.00 0.00 C ATOM 959 O GLU A 66 4.217 -2.601 -6.057 1.00 0.00 O ATOM 960 CB GLU A 66 2.770 -1.120 -8.347 1.00 0.00 C ATOM 961 CG GLU A 66 4.110 -1.438 -8.989 1.00 0.00 C ATOM 962 CD GLU A 66 3.974 -2.316 -10.218 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.158 -3.260 -10.186 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.684 -2.057 -11.212 1.00 0.00 O ATOM 0 H GLU A 66 4.837 -0.215 -6.405 1.00 0.00 H new ATOM 0 HA GLU A 66 1.928 -0.338 -6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.105 -1.974 -8.473 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.314 -0.281 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.606 -0.508 -9.265 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.749 -1.936 -8.260 1.00 0.00 H new ATOM 971 N CYS A 67 2.081 -2.512 -5.355 1.00 0.00 N ATOM 972 CA CYS A 67 2.183 -3.718 -4.540 1.00 0.00 C ATOM 973 C CYS A 67 0.844 -4.444 -4.473 1.00 0.00 C ATOM 974 O CYS A 67 -0.137 -4.021 -5.086 1.00 0.00 O ATOM 975 CB CYS A 67 2.658 -3.366 -3.130 1.00 0.00 C ATOM 976 SG CYS A 67 1.345 -2.782 -2.033 1.00 0.00 S ATOM 0 H CYS A 67 1.162 -2.069 -5.339 1.00 0.00 H new ATOM 0 HA CYS A 67 2.912 -4.382 -5.006 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.124 -4.245 -2.685 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.428 -2.597 -3.199 1.00 0.00 H new ATOM 0 HG CYS A 67 1.791 -1.801 -1.306 1.00 0.00 H new ATOM 982 N THR A 68 0.809 -5.542 -3.724 1.00 0.00 N ATOM 983 CA THR A 68 -0.409 -6.329 -3.578 1.00 0.00 C ATOM 984 C THR A 68 -0.655 -6.697 -2.120 1.00 0.00 C ATOM 985 O THR A 68 0.135 -7.417 -1.509 1.00 0.00 O ATOM 986 CB THR A 68 -0.348 -7.619 -4.418 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.206 -7.294 -5.805 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.601 -8.458 -4.214 1.00 0.00 C ATOM 0 H THR A 68 1.611 -5.906 -3.209 1.00 0.00 H new ATOM 0 HA THR A 68 -1.231 -5.709 -3.936 1.00 0.00 H new ATOM 0 HB THR A 68 0.515 -8.199 -4.091 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.166 -8.119 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.535 -9.363 -4.817 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.690 -8.729 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.477 -7.884 -4.517 1.00 0.00 H new ATOM 996 N VAL A 69 -1.756 -6.199 -1.566 1.00 0.00 N ATOM 997 CA VAL A 69 -2.107 -6.477 -0.178 1.00 0.00 C ATOM 998 C VAL A 69 -2.759 -7.849 -0.041 1.00 0.00 C ATOM 999 O VAL A 69 -3.212 -8.434 -1.024 1.00 0.00 O ATOM 1000 CB VAL A 69 -3.062 -5.408 0.384 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.143 -5.508 1.900 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.617 -4.018 -0.044 1.00 0.00 C ATOM 0 H VAL A 69 -2.420 -5.601 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.179 -6.460 0.393 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.058 -5.586 -0.022 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.822 -4.745 2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.513 -6.494 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.152 -5.357 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.303 -3.275 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.612 -3.826 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.617 -3.955 -1.132 1.00 0.00 H new ATOM 1012 N SER A 70 -2.803 -8.356 1.187 1.00 0.00 N ATOM 1013 CA SER A 70 -3.396 -9.661 1.454 1.00 0.00 C ATOM 1014 C SER A 70 -3.874 -9.755 2.900 1.00 0.00 C ATOM 1015 O SER A 70 -3.794 -8.787 3.656 1.00 0.00 O ATOM 1016 CB SER A 70 -2.386 -10.773 1.165 1.00 0.00 C ATOM 1017 OG SER A 70 -1.487 -10.939 2.248 1.00 0.00 O ATOM 0 H SER A 70 -2.435 -7.883 2.012 1.00 0.00 H new ATOM 0 HA SER A 70 -4.257 -9.783 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.914 -11.709 0.979 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.829 -10.536 0.259 1.00 0.00 H new ATOM 0 HG SER A 70 -0.853 -11.656 2.040 1.00 0.00 H new ATOM 1023 N SER A 71 -4.370 -10.929 3.277 1.00 0.00 N ATOM 1024 CA SER A 71 -4.865 -11.150 4.631 1.00 0.00 C ATOM 1025 C SER A 71 -6.064 -10.254 4.925 1.00 0.00 C ATOM 1026 O SER A 71 -6.245 -9.787 6.050 1.00 0.00 O ATOM 1027 CB SER A 71 -3.755 -10.887 5.651 1.00 0.00 C ATOM 1028 OG SER A 71 -2.979 -12.051 5.872 1.00 0.00 O ATOM 0 H SER A 71 -4.440 -11.742 2.664 1.00 0.00 H new ATOM 0 HA SER A 71 -5.183 -12.190 4.710 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.114 -10.081 5.295 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.193 -10.554 6.592 1.00 0.00 H new ATOM 0 HG SER A 71 -2.276 -11.856 6.526 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.882 -10.018 3.904 1.00 0.00 N ATOM 1035 CA LEU A 72 -8.065 -9.178 4.051 1.00 0.00 C ATOM 1036 C LEU A 72 -9.336 -10.022 4.051 1.00 0.00 C ATOM 1037 O LEU A 72 -9.294 -11.225 3.791 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.125 -8.146 2.924 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.782 -7.578 2.461 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.964 -6.723 1.217 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -6.132 -6.771 3.576 1.00 0.00 C ATOM 0 H LEU A 72 -6.747 -10.397 2.966 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.995 -8.659 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.619 -8.603 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.754 -7.318 3.250 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.124 -8.410 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.998 -6.328 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.385 -7.331 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.639 -5.897 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.178 -6.374 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.787 -5.946 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.965 -7.414 4.441 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.464 -9.383 4.341 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.748 -10.075 4.372 1.00 0.00 C ATOM 1055 C LEU A 73 -12.610 -9.676 3.179 1.00 0.00 C ATOM 1056 O LEU A 73 -12.716 -8.503 2.822 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.486 -9.764 5.675 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.774 -10.175 6.964 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.527 -9.656 8.179 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.626 -11.688 7.032 1.00 0.00 C ATOM 0 H LEU A 73 -10.516 -8.388 4.558 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.557 -11.147 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.676 -8.691 5.715 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.457 -10.259 5.646 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.778 -9.732 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.005 -9.958 9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.581 -8.568 8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.536 -10.069 8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.117 -11.963 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.612 -12.151 7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.042 -12.035 6.179 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.244 -10.675 2.546 1.00 0.00 N ATOM 1073 CA PRO A 74 -14.110 -10.453 1.384 1.00 0.00 C ATOM 1074 C PRO A 74 -15.404 -9.736 1.755 1.00 0.00 C ATOM 1075 O PRO A 74 -15.902 -9.871 2.872 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.407 -11.870 0.887 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.246 -12.735 2.090 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.163 -12.098 2.916 1.00 0.00 C ATOM 0 HA PRO A 74 -13.636 -9.816 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.415 -11.943 0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.720 -12.163 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.178 -12.800 2.652 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.973 -13.751 1.806 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.332 -12.246 3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.183 -12.518 2.687 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.945 -8.974 0.810 1.00 0.00 N ATOM 1087 CA GLY A 75 -17.177 -8.247 1.057 1.00 0.00 C ATOM 1088 C GLY A 75 -17.009 -7.160 2.100 1.00 0.00 C ATOM 1089 O GLY A 75 -17.977 -6.750 2.741 1.00 0.00 O ATOM 0 H GLY A 75 -15.552 -8.847 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.526 -7.802 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.948 -8.945 1.385 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.777 -6.692 2.272 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.485 -5.646 3.244 1.00 0.00 C ATOM 1095 C LYS A 76 -14.640 -4.541 2.617 1.00 0.00 C ATOM 1096 O LYS A 76 -13.797 -4.801 1.758 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.756 -6.235 4.454 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.599 -7.210 5.256 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.568 -6.486 6.176 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.936 -6.186 7.526 1.00 0.00 C ATOM 1101 NZ LYS A 76 -16.950 -5.770 8.534 1.00 0.00 N ATOM 0 H LYS A 76 -14.965 -7.021 1.750 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.431 -5.215 3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.854 -6.743 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.436 -5.422 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.155 -7.856 4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.948 -7.854 5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.889 -5.555 5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.461 -7.095 6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.409 -7.070 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.193 -5.397 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.485 -5.231 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.670 -5.174 8.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.405 -6.614 8.938 1.00 0.00 H new ATOM 1115 N THR A 77 -14.871 -3.306 3.053 1.00 0.00 N ATOM 1116 CA THR A 77 -14.131 -2.162 2.535 1.00 0.00 C ATOM 1117 C THR A 77 -12.903 -1.869 3.388 1.00 0.00 C ATOM 1118 O THR A 77 -12.873 -2.181 4.579 1.00 0.00 O ATOM 1119 CB THR A 77 -15.015 -0.902 2.477 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.124 -1.120 1.599 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.213 0.300 2.000 1.00 0.00 C ATOM 0 H THR A 77 -15.565 -3.073 3.764 1.00 0.00 H new ATOM 0 HA THR A 77 -13.814 -2.422 1.525 1.00 0.00 H new ATOM 0 HB THR A 77 -15.384 -0.698 3.482 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.681 -0.314 1.570 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.858 1.178 1.967 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.387 0.482 2.687 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.819 0.102 1.003 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.890 -1.269 2.772 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.657 -0.936 3.476 1.00 0.00 C ATOM 1131 C TYR A 78 -10.075 0.377 2.962 1.00 0.00 C ATOM 1132 O TYR A 78 -9.941 0.580 1.755 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.632 -2.060 3.312 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.905 -3.260 4.190 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.932 -4.147 3.890 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.135 -3.508 5.320 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.185 -5.244 4.690 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.380 -4.604 6.125 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.406 -5.469 5.806 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.654 -6.562 6.604 1.00 0.00 O ATOM 0 H TYR A 78 -11.898 -1.003 1.787 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.892 -0.819 4.534 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.618 -2.378 2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.639 -1.672 3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.543 -3.975 3.016 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.331 -2.832 5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.989 -5.922 4.443 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.771 -4.782 6.999 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.016 -6.576 7.347 1.00 0.00 H new ATOM 1150 N SER A 79 -9.729 1.266 3.888 1.00 0.00 N ATOM 1151 CA SER A 79 -9.164 2.562 3.531 1.00 0.00 C ATOM 1152 C SER A 79 -7.641 2.490 3.464 1.00 0.00 C ATOM 1153 O SER A 79 -6.972 2.292 4.478 1.00 0.00 O ATOM 1154 CB SER A 79 -9.592 3.626 4.543 1.00 0.00 C ATOM 1155 OG SER A 79 -10.785 4.270 4.132 1.00 0.00 O ATOM 0 H SER A 79 -9.830 1.112 4.891 1.00 0.00 H new ATOM 0 HA SER A 79 -9.542 2.836 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.742 3.165 5.519 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.798 4.364 4.658 1.00 0.00 H new ATOM 0 HG SER A 79 -11.038 4.944 4.796 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.100 2.653 2.261 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.656 2.606 2.060 1.00 0.00 C ATOM 1163 C PHE A 80 -5.062 4.011 2.055 1.00 0.00 C ATOM 1164 O PHE A 80 -5.783 5.002 1.932 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.326 1.895 0.746 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.674 0.434 0.750 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -6.980 0.019 0.544 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.695 -0.524 0.961 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.302 -1.325 0.549 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.012 -1.869 0.966 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.317 -2.270 0.759 1.00 0.00 C ATOM 0 H PHE A 80 -7.639 2.819 1.411 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.217 2.048 2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.861 2.385 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.261 2.006 0.540 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.754 0.753 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.673 -0.216 1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.324 -1.636 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.240 -2.606 1.132 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.567 -3.321 0.761 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.742 4.090 2.188 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.050 5.373 2.201 1.00 0.00 C ATOM 1183 C ARG A 81 -1.679 5.258 1.541 1.00 0.00 C ATOM 1184 O ARG A 81 -1.309 4.198 1.035 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.896 5.880 3.636 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.156 6.522 4.194 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.242 6.362 5.703 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.607 7.472 6.408 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.581 7.584 7.732 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.152 6.658 8.490 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.983 8.624 8.300 1.00 0.00 N ATOM 0 H ARG A 81 -3.130 3.280 2.288 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.649 6.086 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.608 5.047 4.278 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.083 6.605 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.170 7.581 3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.032 6.070 3.729 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.288 6.294 6.001 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.766 5.426 5.996 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.159 8.202 5.854 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.613 5.857 8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.131 6.746 9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.543 9.338 7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.964 8.709 9.316 1.00 0.00 H new ATOM 1205 N LEU A 82 -0.931 6.355 1.549 1.00 0.00 N ATOM 1206 CA LEU A 82 0.400 6.378 0.951 1.00 0.00 C ATOM 1207 C LEU A 82 1.220 7.545 1.492 1.00 0.00 C ATOM 1208 O LEU A 82 0.715 8.659 1.634 1.00 0.00 O ATOM 1209 CB LEU A 82 0.294 6.477 -0.572 1.00 0.00 C ATOM 1210 CG LEU A 82 1.616 6.613 -1.328 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.461 5.361 -1.157 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.360 6.888 -2.803 1.00 0.00 C ATOM 0 H LEU A 82 -1.223 7.241 1.963 1.00 0.00 H new ATOM 0 HA LEU A 82 0.906 5.449 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.222 5.590 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.332 7.335 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 82 2.166 7.457 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.398 5.477 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.674 5.207 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.918 4.500 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.312 6.982 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.789 6.065 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.795 7.814 -2.908 1.00 0.00 H new ATOM 1224 N ARG A 83 2.488 7.282 1.791 1.00 0.00 N ATOM 1225 CA ARG A 83 3.378 8.311 2.315 1.00 0.00 C ATOM 1226 C ARG A 83 4.804 8.104 1.812 1.00 0.00 C ATOM 1227 O ARG A 83 5.331 6.993 1.850 1.00 0.00 O ATOM 1228 CB ARG A 83 3.360 8.300 3.845 1.00 0.00 C ATOM 1229 CG ARG A 83 4.057 7.094 4.454 1.00 0.00 C ATOM 1230 CD ARG A 83 4.176 7.223 5.964 1.00 0.00 C ATOM 1231 NE ARG A 83 4.634 5.983 6.585 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.096 5.911 7.829 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.162 7.002 8.580 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.494 4.746 8.323 1.00 0.00 N ATOM 0 H ARG A 83 2.922 6.366 1.679 1.00 0.00 H new ATOM 0 HA ARG A 83 3.022 9.278 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.837 9.209 4.212 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.326 8.323 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.502 6.189 4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.050 6.988 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.871 8.027 6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.208 7.502 6.381 1.00 0.00 H new ATOM 0 HE ARG A 83 4.597 5.125 6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.858 7.900 8.203 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.517 6.943 9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.446 3.905 7.748 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.849 4.691 9.278 1.00 0.00 H new ATOM 1248 N ALA A 84 5.421 9.182 1.340 1.00 0.00 N ATOM 1249 CA ALA A 84 6.785 9.120 0.830 1.00 0.00 C ATOM 1250 C ALA A 84 7.787 9.579 1.884 1.00 0.00 C ATOM 1251 O ALA A 84 7.479 10.432 2.716 1.00 0.00 O ATOM 1252 CB ALA A 84 6.917 9.962 -0.430 1.00 0.00 C ATOM 0 H ALA A 84 4.998 10.109 1.300 1.00 0.00 H new ATOM 0 HA ALA A 84 7.007 8.082 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.941 9.906 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.235 9.585 -1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.670 10.999 -0.202 1.00 0.00 H new ATOM 1258 N ALA A 85 8.986 9.008 1.843 1.00 0.00 N ATOM 1259 CA ALA A 85 10.033 9.361 2.793 1.00 0.00 C ATOM 1260 C ALA A 85 11.323 9.742 2.074 1.00 0.00 C ATOM 1261 O ALA A 85 11.664 9.162 1.044 1.00 0.00 O ATOM 1262 CB ALA A 85 10.283 8.208 3.755 1.00 0.00 C ATOM 0 H ALA A 85 9.256 8.299 1.162 1.00 0.00 H new ATOM 0 HA ALA A 85 9.696 10.228 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.067 8.485 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.367 7.985 4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.594 7.327 3.194 1.00 0.00 H new ATOM 1268 N ASN A 86 12.035 10.720 2.623 1.00 0.00 N ATOM 1269 CA ASN A 86 13.287 11.179 2.033 1.00 0.00 C ATOM 1270 C ASN A 86 14.363 11.347 3.101 1.00 0.00 C ATOM 1271 O ASN A 86 14.142 11.045 4.274 1.00 0.00 O ATOM 1272 CB ASN A 86 13.072 12.503 1.296 1.00 0.00 C ATOM 1273 CG ASN A 86 12.374 13.537 2.158 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.241 13.364 3.370 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.923 14.619 1.534 1.00 0.00 N ATOM 0 H ASN A 86 11.766 11.210 3.476 1.00 0.00 H new ATOM 0 HA ASN A 86 13.622 10.425 1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.036 12.895 0.971 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.481 12.324 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.444 15.349 2.061 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.056 14.720 0.528 1.00 0.00 H new ATOM 1282 N LYS A 87 15.530 11.830 2.686 1.00 0.00 N ATOM 1283 CA LYS A 87 16.641 12.041 3.606 1.00 0.00 C ATOM 1284 C LYS A 87 16.187 12.811 4.842 1.00 0.00 C ATOM 1285 O LYS A 87 16.854 12.795 5.875 1.00 0.00 O ATOM 1286 CB LYS A 87 17.772 12.798 2.907 1.00 0.00 C ATOM 1287 CG LYS A 87 17.327 14.103 2.269 1.00 0.00 C ATOM 1288 CD LYS A 87 18.491 15.065 2.096 1.00 0.00 C ATOM 1289 CE LYS A 87 18.043 16.373 1.464 1.00 0.00 C ATOM 1290 NZ LYS A 87 17.221 17.190 2.400 1.00 0.00 N ATOM 0 H LYS A 87 15.730 12.083 1.718 1.00 0.00 H new ATOM 0 HA LYS A 87 17.007 11.065 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.560 13.007 3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.206 12.158 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.875 13.899 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.559 14.568 2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.946 15.265 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.257 14.603 1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.918 16.945 1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.466 16.162 0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.689 17.904 1.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.556 16.572 2.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.843 17.665 3.085 1.00 0.00 H new ATOM 1304 N MET A 88 15.046 13.485 4.727 1.00 0.00 N ATOM 1305 CA MET A 88 14.502 14.259 5.836 1.00 0.00 C ATOM 1306 C MET A 88 13.658 13.378 6.752 1.00 0.00 C ATOM 1307 O MET A 88 13.834 13.384 7.970 1.00 0.00 O ATOM 1308 CB MET A 88 13.659 15.422 5.309 1.00 0.00 C ATOM 1309 CG MET A 88 14.462 16.450 4.528 1.00 0.00 C ATOM 1310 SD MET A 88 15.702 17.278 5.542 1.00 0.00 S ATOM 1311 CE MET A 88 17.117 16.211 5.284 1.00 0.00 C ATOM 0 H MET A 88 14.482 13.510 3.878 1.00 0.00 H new ATOM 0 HA MET A 88 15.337 14.657 6.413 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.870 15.027 4.669 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.171 15.916 6.149 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.954 15.959 3.688 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.784 17.194 4.110 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.377 15.718 6.221 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.874 15.459 4.534 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.963 16.806 4.940 1.00 0.00 H new ATOM 1321 N GLY A 89 12.740 12.622 6.157 1.00 0.00 N ATOM 1322 CA GLY A 89 11.883 11.747 6.935 1.00 0.00 C ATOM 1323 C GLY A 89 10.601 11.394 6.207 1.00 0.00 C ATOM 1324 O GLY A 89 10.442 11.709 5.028 1.00 0.00 O ATOM 0 H GLY A 89 12.575 12.600 5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.425 10.832 7.175 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.639 12.230 7.881 1.00 0.00 H new ATOM 1328 N PHE A 90 9.685 10.737 6.910 1.00 0.00 N ATOM 1329 CA PHE A 90 8.411 10.339 6.323 1.00 0.00 C ATOM 1330 C PHE A 90 7.400 11.480 6.390 1.00 0.00 C ATOM 1331 O PHE A 90 7.262 12.142 7.417 1.00 0.00 O ATOM 1332 CB PHE A 90 7.855 9.108 7.043 1.00 0.00 C ATOM 1333 CG PHE A 90 8.322 7.808 6.453 1.00 0.00 C ATOM 1334 CD1 PHE A 90 7.650 7.235 5.386 1.00 0.00 C ATOM 1335 CD2 PHE A 90 9.432 7.157 6.968 1.00 0.00 C ATOM 1336 CE1 PHE A 90 8.077 6.039 4.841 1.00 0.00 C ATOM 1337 CE2 PHE A 90 9.864 5.961 6.427 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.185 5.400 5.363 1.00 0.00 C ATOM 0 H PHE A 90 9.801 10.469 7.887 1.00 0.00 H new ATOM 0 HA PHE A 90 8.585 10.092 5.276 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.147 9.148 8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.766 9.141 7.014 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.782 7.729 4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 90 9.965 7.589 7.802 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.545 5.604 4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.732 5.465 6.836 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.519 4.464 4.940 1.00 0.00 H new ATOM 1348 N GLY A 91 6.696 11.705 5.284 1.00 0.00 N ATOM 1349 CA GLY A 91 5.708 12.767 5.238 1.00 0.00 C ATOM 1350 C GLY A 91 4.313 12.275 5.569 1.00 0.00 C ATOM 1351 O GLY A 91 4.118 11.139 6.000 1.00 0.00 O ATOM 0 H GLY A 91 6.792 11.171 4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.989 13.552 5.940 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.706 13.214 4.244 1.00 0.00 H new ATOM 1355 N PRO A 92 3.311 13.145 5.369 1.00 0.00 N ATOM 1356 CA PRO A 92 1.910 12.816 5.644 1.00 0.00 C ATOM 1357 C PRO A 92 1.350 11.795 4.660 1.00 0.00 C ATOM 1358 O PRO A 92 1.762 11.744 3.501 1.00 0.00 O ATOM 1359 CB PRO A 92 1.193 14.159 5.487 1.00 0.00 C ATOM 1360 CG PRO A 92 2.059 14.946 4.565 1.00 0.00 C ATOM 1361 CD PRO A 92 3.471 14.517 4.857 1.00 0.00 C ATOM 0 HA PRO A 92 1.784 12.362 6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.193 14.028 5.075 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.078 14.661 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.799 14.752 3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.934 16.016 4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.092 14.542 3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.945 15.168 5.592 1.00 0.00 H new ATOM 1369 N PHE A 93 0.409 10.982 5.129 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.208 9.961 4.289 1.00 0.00 C ATOM 1371 C PHE A 93 -1.210 10.584 3.322 1.00 0.00 C ATOM 1372 O PHE A 93 -1.753 11.658 3.580 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.904 8.910 5.156 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.014 7.762 5.537 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.441 6.873 4.576 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.366 7.570 6.855 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.261 5.815 4.923 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.185 6.515 7.208 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.632 5.635 6.241 1.00 0.00 C ATOM 0 H PHE A 93 0.057 11.010 6.086 1.00 0.00 H new ATOM 0 HA PHE A 93 0.579 9.480 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.276 9.387 6.063 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.771 8.525 4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.152 7.008 3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.018 8.253 7.616 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.611 5.130 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.476 6.378 8.239 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.270 4.808 6.515 1.00 0.00 H new ATOM 1389 N SER A 94 -1.449 9.902 2.206 1.00 0.00 N ATOM 1390 CA SER A 94 -2.382 10.390 1.198 1.00 0.00 C ATOM 1391 C SER A 94 -3.820 10.298 1.698 1.00 0.00 C ATOM 1392 O SER A 94 -4.065 9.954 2.854 1.00 0.00 O ATOM 1393 CB SER A 94 -2.229 9.591 -0.098 1.00 0.00 C ATOM 1394 OG SER A 94 -2.720 8.271 0.056 1.00 0.00 O ATOM 0 H SER A 94 -1.009 9.010 1.978 1.00 0.00 H new ATOM 0 HA SER A 94 -2.151 11.437 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.768 10.091 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.179 9.560 -0.388 1.00 0.00 H new ATOM 0 HG SER A 94 -3.696 8.272 -0.038 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.768 10.607 0.818 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.182 10.560 1.171 1.00 0.00 C ATOM 1402 C GLU A 95 -6.672 9.118 1.261 1.00 0.00 C ATOM 1403 O GLU A 95 -6.427 8.309 0.366 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.013 11.329 0.142 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.581 12.776 -0.031 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.557 13.580 -0.867 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.780 13.409 -0.682 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -7.097 14.383 -1.707 1.00 0.00 O ATOM 0 H GLU A 95 -4.582 10.892 -0.144 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.302 11.028 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.945 10.821 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.061 11.305 0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.480 13.241 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.598 12.804 -0.500 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.366 8.803 2.349 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.893 7.459 2.559 1.00 0.00 C ATOM 1417 C LYS A 96 -8.741 7.016 1.371 1.00 0.00 C ATOM 1418 O LYS A 96 -9.727 7.667 1.023 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.727 7.410 3.841 1.00 0.00 C ATOM 1420 CG LYS A 96 -7.908 7.597 5.107 1.00 0.00 C ATOM 1421 CD LYS A 96 -8.788 7.596 6.345 1.00 0.00 C ATOM 1422 CE LYS A 96 -9.843 8.690 6.281 1.00 0.00 C ATOM 1423 NZ LYS A 96 -11.093 8.217 5.624 1.00 0.00 N ATOM 0 H LYS A 96 -7.577 9.460 3.100 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.049 6.776 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.493 8.184 3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.245 6.452 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.169 6.800 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.359 8.537 5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.274 6.626 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.170 7.737 7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.071 9.034 7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.446 9.545 5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.292 8.807 4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.976 7.227 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.885 8.286 6.295 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.353 5.905 0.754 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.079 5.375 -0.394 1.00 0.00 C ATOM 1439 C CYS A 97 -9.798 4.079 -0.032 1.00 0.00 C ATOM 1440 O CYS A 97 -9.170 3.032 0.124 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.121 5.132 -1.561 1.00 0.00 C ATOM 1442 SG CYS A 97 -8.864 4.252 -2.955 1.00 0.00 S ATOM 0 H CYS A 97 -7.540 5.354 1.030 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.825 6.112 -0.693 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.742 6.092 -1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.264 4.563 -1.201 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.051 4.281 -3.969 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.117 4.159 0.102 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.922 2.993 0.447 1.00 0.00 C ATOM 1450 C ASP A 98 -12.039 2.043 -0.741 1.00 0.00 C ATOM 1451 O ASP A 98 -12.423 2.450 -1.838 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.314 3.426 0.909 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.311 3.481 -0.231 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.176 4.373 -1.096 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -15.226 2.632 -0.260 1.00 0.00 O ATOM 0 H ASP A 98 -11.652 5.019 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.425 2.467 1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.673 2.732 1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.249 4.408 1.379 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.705 0.777 -0.514 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.774 -0.230 -1.566 1.00 0.00 C ATOM 1462 C ILE A 99 -12.503 -1.480 -1.084 1.00 0.00 C ATOM 1463 O ILE A 99 -12.053 -2.158 -0.160 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.369 -0.627 -2.057 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.654 0.585 -2.658 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.463 -1.753 -3.076 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.259 0.278 -3.157 1.00 0.00 C ATOM 0 H ILE A 99 -11.384 0.424 0.388 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.328 0.215 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.789 -0.982 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.249 0.975 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.597 1.373 -1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.462 -2.023 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.937 -2.621 -2.617 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -11.057 -1.424 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.813 1.183 -3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.648 -0.083 -2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.310 -0.487 -3.932 1.00 0.00 H new ATOM 1479 N THR A 100 -13.632 -1.781 -1.718 1.00 0.00 N ATOM 1480 CA THR A 100 -14.424 -2.949 -1.355 1.00 0.00 C ATOM 1481 C THR A 100 -13.895 -4.206 -2.037 1.00 0.00 C ATOM 1482 O THR A 100 -13.917 -4.316 -3.263 1.00 0.00 O ATOM 1483 CB THR A 100 -15.906 -2.762 -1.730 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.342 -1.448 -1.362 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.775 -3.801 -1.039 1.00 0.00 C ATOM 0 H THR A 100 -14.018 -1.232 -2.486 1.00 0.00 H new ATOM 0 HA THR A 100 -14.341 -3.062 -0.274 1.00 0.00 H new ATOM 0 HB THR A 100 -16.004 -2.889 -2.808 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.272 -1.340 -0.390 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.817 -3.648 -1.319 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.460 -4.799 -1.343 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.672 -3.701 0.042 1.00 0.00 H new ATOM 1493 N THR A 101 -13.418 -5.153 -1.235 1.00 0.00 N ATOM 1494 CA THR A 101 -12.883 -6.402 -1.761 1.00 0.00 C ATOM 1495 C THR A 101 -13.970 -7.220 -2.449 1.00 0.00 C ATOM 1496 O THR A 101 -15.154 -6.901 -2.352 1.00 0.00 O ATOM 1497 CB THR A 101 -12.244 -7.253 -0.647 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.169 -7.420 0.433 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.969 -6.601 -0.132 1.00 0.00 C ATOM 0 H THR A 101 -13.392 -5.078 -0.218 1.00 0.00 H new ATOM 0 HA THR A 101 -12.117 -6.135 -2.489 1.00 0.00 H new ATOM 0 HB THR A 101 -11.992 -8.228 -1.064 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.695 -7.763 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.536 -7.220 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.256 -6.501 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.201 -5.615 0.270 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.559 -8.276 -3.143 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.498 -9.141 -3.845 1.00 0.00 C ATOM 1509 C ALA A 102 -15.379 -9.907 -2.863 1.00 0.00 C ATOM 1510 O ALA A 102 -14.974 -10.221 -1.744 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.750 -10.108 -4.750 1.00 0.00 C ATOM 0 H ALA A 102 -12.582 -8.553 -3.234 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.144 -8.512 -4.458 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.464 -10.748 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.169 -9.546 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.080 -10.724 -4.150 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.613 -10.214 -3.289 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.577 -10.946 -2.462 1.00 0.00 C ATOM 1519 C PRO A 103 -17.177 -12.404 -2.260 1.00 0.00 C ATOM 1520 O PRO A 103 -17.907 -13.178 -1.641 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.876 -10.854 -3.265 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.437 -10.667 -4.676 1.00 0.00 C ATOM 1523 CD PRO A 103 -17.163 -9.871 -4.611 1.00 0.00 C ATOM 0 HA PRO A 103 -17.651 -10.530 -1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.475 -11.758 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.491 -10.020 -2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.273 -11.628 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.197 -10.141 -5.255 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.478 -10.143 -5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.352 -8.801 -4.702 1.00 0.00 H new ATOM 1531 N GLY A 104 -16.013 -12.773 -2.787 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.538 -14.137 -2.653 1.00 0.00 C ATOM 1533 C GLY A 104 -16.030 -15.035 -3.771 1.00 0.00 C ATOM 1534 O GLY A 104 -17.225 -15.075 -4.063 1.00 0.00 O ATOM 0 H GLY A 104 -15.391 -12.151 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.448 -14.139 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.867 -14.541 -1.695 1.00 0.00 H new