USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 735 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 49 SER OG : rot -54:sc= 1.17 USER MOD Set 2.2: A 79 SER OG : rot 51:sc= 1.35! USER MOD Set 3.1: A 42 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= -1.75! USER MOD Set 4.1: A 39 SER OG : rot 120:sc= -0.859 USER MOD Set 4.2: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot -170:sc= -0.937 USER MOD Single : A 18 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.045) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0841 K(o=-0.084,f=-1.7!) USER MOD Single : A 44 TYR OH : rot 131:sc= -1.47 USER MOD Single : A 45 SER OG : rot 150:sc= 0.214 USER MOD Single : A 48 MET CE :methyl -135:sc= -0.871 (180deg=-2.48!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.0296 USER MOD Single : A 61 GLN :FLIP amide:sc= -2.48 F(o=-3.8!,f=-2.5) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -63:sc= -0.0673 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -57:sc= 0.129 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0.127 USER MOD Single : A 86 ASN : amide:sc= -2.68! C(o=-2.7!,f=-14!) USER MOD Single : A 88 MET CE :methyl -170:sc= -3.71! (180deg=-4.13!) USER MOD Single : A 94 SER OG : rot 82:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot -53:sc= 0.29 USER MOD Single : A 101 THR OG1 : rot -157:sc= 0.748 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.444 16.909 4.361 1.00 0.00 N ATOM 67 CA PRO A 8 9.689 15.718 3.963 1.00 0.00 C ATOM 68 C PRO A 8 8.741 15.993 2.800 1.00 0.00 C ATOM 69 O PRO A 8 8.311 17.124 2.573 1.00 0.00 O ATOM 70 CB PRO A 8 8.898 15.361 5.224 1.00 0.00 C ATOM 71 CG PRO A 8 8.766 16.647 5.965 1.00 0.00 C ATOM 72 CD PRO A 8 10.022 17.422 5.675 1.00 0.00 C ATOM 0 HA PRO A 8 10.343 14.920 3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.922 14.946 4.975 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.420 14.612 5.820 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.884 17.197 5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.654 16.471 7.035 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.834 18.495 5.646 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.784 17.252 6.436 1.00 0.00 H new ATOM 80 N PRO A 9 8.406 14.936 2.045 1.00 0.00 N ATOM 81 CA PRO A 9 7.505 15.039 0.894 1.00 0.00 C ATOM 82 C PRO A 9 6.065 15.323 1.308 1.00 0.00 C ATOM 83 O PRO A 9 5.581 14.794 2.308 1.00 0.00 O ATOM 84 CB PRO A 9 7.611 13.661 0.236 1.00 0.00 C ATOM 85 CG PRO A 9 8.013 12.745 1.340 1.00 0.00 C ATOM 86 CD PRO A 9 8.882 13.559 2.258 1.00 0.00 C ATOM 0 HA PRO A 9 7.778 15.863 0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.661 13.358 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.348 13.661 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.139 12.362 1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.555 11.882 0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.768 13.251 3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.938 13.456 2.008 1.00 0.00 H new ATOM 94 N GLY A 10 5.385 16.161 0.532 1.00 0.00 N ATOM 95 CA GLY A 10 4.007 16.500 0.836 1.00 0.00 C ATOM 96 C GLY A 10 3.104 15.283 0.866 1.00 0.00 C ATOM 97 O GLY A 10 3.561 14.142 0.797 1.00 0.00 O ATOM 0 H GLY A 10 5.763 16.611 -0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.965 17.004 1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.637 17.205 0.092 1.00 0.00 H new ATOM 101 N PRO A 11 1.788 15.520 0.974 1.00 0.00 N ATOM 102 CA PRO A 11 0.791 14.446 1.018 1.00 0.00 C ATOM 103 C PRO A 11 0.652 13.730 -0.321 1.00 0.00 C ATOM 104 O PRO A 11 0.096 14.279 -1.274 1.00 0.00 O ATOM 105 CB PRO A 11 -0.505 15.180 1.369 1.00 0.00 C ATOM 106 CG PRO A 11 -0.295 16.574 0.887 1.00 0.00 C ATOM 107 CD PRO A 11 1.172 16.855 1.062 1.00 0.00 C ATOM 0 HA PRO A 11 1.062 13.667 1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.365 14.719 0.883 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.695 15.157 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.590 16.675 -0.158 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.899 17.280 1.458 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.548 17.523 0.287 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.379 17.330 2.021 1.00 0.00 H new ATOM 115 N CYS A 12 1.158 12.504 -0.387 1.00 0.00 N ATOM 116 CA CYS A 12 1.090 11.713 -1.610 1.00 0.00 C ATOM 117 C CYS A 12 -0.358 11.486 -2.031 1.00 0.00 C ATOM 118 O CYS A 12 -1.288 11.795 -1.285 1.00 0.00 O ATOM 119 CB CYS A 12 1.794 10.369 -1.413 1.00 0.00 C ATOM 120 SG CYS A 12 3.569 10.505 -1.098 1.00 0.00 S ATOM 0 H CYS A 12 1.620 12.036 0.393 1.00 0.00 H new ATOM 0 HA CYS A 12 1.596 12.267 -2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.327 9.845 -0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.639 9.756 -2.301 1.00 0.00 H new ATOM 0 HG CYS A 12 4.111 9.325 -1.153 1.00 0.00 H new ATOM 126 N LEU A 13 -0.542 10.944 -3.230 1.00 0.00 N ATOM 127 CA LEU A 13 -1.878 10.677 -3.752 1.00 0.00 C ATOM 128 C LEU A 13 -2.334 9.269 -3.384 1.00 0.00 C ATOM 129 O LEU A 13 -1.530 8.390 -3.074 1.00 0.00 O ATOM 130 CB LEU A 13 -1.898 10.851 -5.271 1.00 0.00 C ATOM 131 CG LEU A 13 -2.117 12.276 -5.781 1.00 0.00 C ATOM 132 CD1 LEU A 13 -1.552 12.434 -7.184 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.596 12.630 -5.756 1.00 0.00 C ATOM 0 H LEU A 13 0.217 10.681 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.567 11.392 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.952 10.485 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.684 10.216 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.589 12.963 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.717 13.454 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.483 12.224 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.051 11.737 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.733 13.647 -6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.147 11.938 -6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.970 12.559 -4.735 1.00 0.00 H new ATOM 145 N PRO A 14 -3.657 9.046 -3.420 1.00 0.00 N ATOM 146 CA PRO A 14 -4.250 7.745 -3.096 1.00 0.00 C ATOM 147 C PRO A 14 -3.944 6.689 -4.153 1.00 0.00 C ATOM 148 O PRO A 14 -3.999 6.946 -5.356 1.00 0.00 O ATOM 149 CB PRO A 14 -5.751 8.040 -3.054 1.00 0.00 C ATOM 150 CG PRO A 14 -5.928 9.231 -3.933 1.00 0.00 C ATOM 151 CD PRO A 14 -4.675 10.047 -3.781 1.00 0.00 C ATOM 0 HA PRO A 14 -3.855 7.338 -2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.332 7.191 -3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.086 8.245 -2.037 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.075 8.932 -4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.806 9.806 -3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.419 10.565 -4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.782 10.808 -3.008 1.00 0.00 H new ATOM 159 N PRO A 15 -3.614 5.472 -3.697 1.00 0.00 N ATOM 160 CA PRO A 15 -3.294 4.353 -4.587 1.00 0.00 C ATOM 161 C PRO A 15 -4.517 3.845 -5.343 1.00 0.00 C ATOM 162 O PRO A 15 -5.517 3.459 -4.737 1.00 0.00 O ATOM 163 CB PRO A 15 -2.771 3.277 -3.631 1.00 0.00 C ATOM 164 CG PRO A 15 -3.402 3.597 -2.320 1.00 0.00 C ATOM 165 CD PRO A 15 -3.528 5.095 -2.276 1.00 0.00 C ATOM 0 HA PRO A 15 -2.581 4.639 -5.360 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.047 2.278 -3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.683 3.302 -3.564 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.378 3.120 -2.230 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.792 3.232 -1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.414 5.408 -1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.669 5.556 -1.789 1.00 0.00 H new ATOM 173 N ARG A 16 -4.431 3.848 -6.669 1.00 0.00 N ATOM 174 CA ARG A 16 -5.532 3.388 -7.507 1.00 0.00 C ATOM 175 C ARG A 16 -5.558 1.865 -7.583 1.00 0.00 C ATOM 176 O ARG A 16 -4.570 1.234 -7.960 1.00 0.00 O ATOM 177 CB ARG A 16 -5.410 3.977 -8.914 1.00 0.00 C ATOM 178 CG ARG A 16 -5.889 5.416 -9.015 1.00 0.00 C ATOM 179 CD ARG A 16 -7.371 5.535 -8.695 1.00 0.00 C ATOM 180 NE ARG A 16 -7.610 5.712 -7.266 1.00 0.00 N ATOM 181 CZ ARG A 16 -7.470 6.873 -6.636 1.00 0.00 C ATOM 182 NH1 ARG A 16 -7.095 7.954 -7.306 1.00 0.00 N ATOM 183 NH2 ARG A 16 -7.706 6.955 -5.332 1.00 0.00 N ATOM 0 H ARG A 16 -3.611 4.164 -7.186 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.465 3.728 -7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.368 3.927 -9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.984 3.362 -9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.316 6.040 -8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.702 5.793 -10.020 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.793 6.379 -9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.889 4.641 -9.041 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.900 4.900 -6.721 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.913 7.895 -8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.988 8.844 -6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.995 6.126 -4.813 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.598 7.847 -4.849 1.00 0.00 H new ATOM 197 N LEU A 17 -6.694 1.279 -7.221 1.00 0.00 N ATOM 198 CA LEU A 17 -6.850 -0.171 -7.247 1.00 0.00 C ATOM 199 C LEU A 17 -6.460 -0.736 -8.609 1.00 0.00 C ATOM 200 O LEU A 17 -7.030 -0.360 -9.633 1.00 0.00 O ATOM 201 CB LEU A 17 -8.293 -0.555 -6.917 1.00 0.00 C ATOM 202 CG LEU A 17 -8.690 -2.000 -7.222 1.00 0.00 C ATOM 203 CD1 LEU A 17 -7.947 -2.962 -6.309 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.194 -2.181 -7.081 1.00 0.00 C ATOM 0 H LEU A 17 -7.521 1.786 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.187 -0.596 -6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.464 -0.368 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.959 0.108 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.413 -2.223 -8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.242 -3.985 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.873 -2.851 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.192 -2.740 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.458 -3.215 -7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.496 -1.939 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.707 -1.519 -7.778 1.00 0.00 H new ATOM 216 N GLN A 18 -5.487 -1.642 -8.612 1.00 0.00 N ATOM 217 CA GLN A 18 -5.023 -2.260 -9.848 1.00 0.00 C ATOM 218 C GLN A 18 -5.959 -3.384 -10.280 1.00 0.00 C ATOM 219 O GLN A 18 -6.600 -4.025 -9.448 1.00 0.00 O ATOM 220 CB GLN A 18 -3.604 -2.802 -9.671 1.00 0.00 C ATOM 221 CG GLN A 18 -2.793 -2.818 -10.957 1.00 0.00 C ATOM 222 CD GLN A 18 -1.591 -3.738 -10.878 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.729 -4.939 -10.646 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.403 -3.178 -11.071 1.00 0.00 N ATOM 0 H GLN A 18 -5.005 -1.964 -7.773 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.018 -1.497 -10.626 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.083 -2.196 -8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.658 -3.815 -9.273 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.433 -3.133 -11.782 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.457 -1.806 -11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.335 -2.178 -11.261 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.442 -3.748 -11.030 1.00 0.00 H new ATOM 233 N GLY A 19 -6.032 -3.618 -11.587 1.00 0.00 N ATOM 234 CA GLY A 19 -6.893 -4.665 -12.106 1.00 0.00 C ATOM 235 C GLY A 19 -8.172 -4.814 -11.306 1.00 0.00 C ATOM 236 O GLY A 19 -9.015 -3.917 -11.300 1.00 0.00 O ATOM 0 H GLY A 19 -5.511 -3.101 -12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.141 -4.445 -13.144 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.352 -5.612 -12.101 1.00 0.00 H new ATOM 240 N ARG A 20 -8.318 -5.950 -10.632 1.00 0.00 N ATOM 241 CA ARG A 20 -9.505 -6.214 -9.828 1.00 0.00 C ATOM 242 C ARG A 20 -9.121 -6.732 -8.446 1.00 0.00 C ATOM 243 O ARG A 20 -8.158 -7.483 -8.282 1.00 0.00 O ATOM 244 CB ARG A 20 -10.408 -7.229 -10.532 1.00 0.00 C ATOM 245 CG ARG A 20 -11.106 -6.672 -11.762 1.00 0.00 C ATOM 246 CD ARG A 20 -12.419 -5.995 -11.400 1.00 0.00 C ATOM 247 NE ARG A 20 -13.318 -5.896 -12.546 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.589 -5.518 -12.452 1.00 0.00 C ATOM 249 NH1 ARG A 20 -15.106 -5.206 -11.272 1.00 0.00 N ATOM 250 NH2 ARG A 20 -15.344 -5.453 -13.541 1.00 0.00 N ATOM 0 H ARG A 20 -7.629 -6.702 -10.627 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.048 -5.276 -9.708 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.811 -8.093 -10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.160 -7.584 -9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.452 -5.956 -12.260 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.295 -7.478 -12.471 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.908 -6.555 -10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.217 -4.997 -11.011 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.951 -6.129 -13.469 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.528 -5.256 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.082 -4.916 -11.203 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.949 -5.693 -14.450 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.319 -5.163 -13.469 1.00 0.00 H new ATOM 264 N PRO A 21 -9.889 -6.324 -7.425 1.00 0.00 N ATOM 265 CA PRO A 21 -9.649 -6.734 -6.039 1.00 0.00 C ATOM 266 C PRO A 21 -9.959 -8.210 -5.809 1.00 0.00 C ATOM 267 O PRO A 21 -10.684 -8.831 -6.587 1.00 0.00 O ATOM 268 CB PRO A 21 -10.611 -5.855 -5.237 1.00 0.00 C ATOM 269 CG PRO A 21 -11.702 -5.515 -6.193 1.00 0.00 C ATOM 270 CD PRO A 21 -11.053 -5.429 -7.547 1.00 0.00 C ATOM 0 HA PRO A 21 -8.604 -6.615 -5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.998 -6.384 -4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.114 -4.958 -4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.482 -6.276 -6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.175 -4.570 -5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.729 -5.754 -8.338 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.752 -4.409 -7.784 1.00 0.00 H new ATOM 278 N LYS A 22 -9.406 -8.766 -4.737 1.00 0.00 N ATOM 279 CA LYS A 22 -9.625 -10.168 -4.403 1.00 0.00 C ATOM 280 C LYS A 22 -10.409 -10.302 -3.101 1.00 0.00 C ATOM 281 O LYS A 22 -10.838 -9.306 -2.519 1.00 0.00 O ATOM 282 CB LYS A 22 -8.286 -10.899 -4.281 1.00 0.00 C ATOM 283 CG LYS A 22 -7.396 -10.745 -5.502 1.00 0.00 C ATOM 284 CD LYS A 22 -7.690 -11.812 -6.544 1.00 0.00 C ATOM 285 CE LYS A 22 -6.510 -12.014 -7.483 1.00 0.00 C ATOM 286 NZ LYS A 22 -6.469 -10.978 -8.553 1.00 0.00 N ATOM 0 H LYS A 22 -8.802 -8.267 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.208 -10.620 -5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.756 -10.525 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.474 -11.959 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.544 -9.758 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.350 -10.807 -5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.926 -12.753 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.570 -11.527 -7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.582 -11.983 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.572 -13.003 -7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.651 -11.150 -9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.343 -11.024 -9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.384 -10.036 -8.121 1.00 0.00 H new ATOM 300 N ALA A 23 -10.591 -11.538 -2.650 1.00 0.00 N ATOM 301 CA ALA A 23 -11.320 -11.801 -1.415 1.00 0.00 C ATOM 302 C ALA A 23 -10.534 -11.320 -0.200 1.00 0.00 C ATOM 303 O ALA A 23 -11.048 -10.566 0.626 1.00 0.00 O ATOM 304 CB ALA A 23 -11.630 -13.286 -1.291 1.00 0.00 C ATOM 0 H ALA A 23 -10.244 -12.373 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.258 -11.247 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.174 -13.468 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.239 -13.603 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.699 -13.853 -1.282 1.00 0.00 H new ATOM 310 N LYS A 24 -9.285 -11.760 -0.097 1.00 0.00 N ATOM 311 CA LYS A 24 -8.427 -11.375 1.017 1.00 0.00 C ATOM 312 C LYS A 24 -7.175 -10.659 0.517 1.00 0.00 C ATOM 313 O LYS A 24 -6.203 -10.503 1.255 1.00 0.00 O ATOM 314 CB LYS A 24 -8.031 -12.607 1.834 1.00 0.00 C ATOM 315 CG LYS A 24 -9.216 -13.360 2.412 1.00 0.00 C ATOM 316 CD LYS A 24 -8.814 -14.193 3.617 1.00 0.00 C ATOM 317 CE LYS A 24 -10.002 -14.465 4.528 1.00 0.00 C ATOM 318 NZ LYS A 24 -9.717 -15.559 5.498 1.00 0.00 N ATOM 0 H LYS A 24 -8.844 -12.384 -0.772 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.987 -10.690 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.456 -13.283 1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.376 -12.297 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.992 -12.652 2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.644 -14.008 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.388 -15.138 3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.036 -13.673 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.259 -13.556 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.869 -14.732 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.550 -15.714 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.496 -16.433 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.905 -15.294 6.091 1.00 0.00 H new ATOM 332 N GLU A 25 -7.208 -10.227 -0.739 1.00 0.00 N ATOM 333 CA GLU A 25 -6.076 -9.528 -1.336 1.00 0.00 C ATOM 334 C GLU A 25 -6.551 -8.396 -2.242 1.00 0.00 C ATOM 335 O GLU A 25 -7.694 -8.392 -2.700 1.00 0.00 O ATOM 336 CB GLU A 25 -5.208 -10.504 -2.133 1.00 0.00 C ATOM 337 CG GLU A 25 -4.805 -11.741 -1.348 1.00 0.00 C ATOM 338 CD GLU A 25 -5.904 -12.783 -1.296 1.00 0.00 C ATOM 339 OE1 GLU A 25 -6.942 -12.584 -1.963 1.00 0.00 O ATOM 340 OE2 GLU A 25 -5.729 -13.798 -0.590 1.00 0.00 O ATOM 0 H GLU A 25 -8.006 -10.348 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.481 -9.099 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.750 -10.812 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.308 -9.987 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.915 -12.179 -1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.537 -11.451 -0.332 1.00 0.00 H new ATOM 347 N ILE A 26 -5.667 -7.438 -2.496 1.00 0.00 N ATOM 348 CA ILE A 26 -5.995 -6.301 -3.347 1.00 0.00 C ATOM 349 C ILE A 26 -4.737 -5.674 -3.937 1.00 0.00 C ATOM 350 O ILE A 26 -3.774 -5.402 -3.221 1.00 0.00 O ATOM 351 CB ILE A 26 -6.776 -5.224 -2.571 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.940 -5.859 -1.806 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.284 -4.150 -3.521 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.793 -4.855 -1.063 1.00 0.00 C ATOM 0 H ILE A 26 -4.717 -7.426 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.621 -6.682 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.104 -4.757 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.568 -6.409 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.544 -6.584 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.834 -3.396 -2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.439 -3.681 -4.025 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.944 -4.602 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.598 -5.375 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.179 -4.322 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.218 -4.144 -1.771 1.00 0.00 H new ATOM 366 N GLN A 27 -4.754 -5.447 -5.246 1.00 0.00 N ATOM 367 CA GLN A 27 -3.613 -4.851 -5.932 1.00 0.00 C ATOM 368 C GLN A 27 -3.765 -3.336 -6.026 1.00 0.00 C ATOM 369 O GLN A 27 -4.866 -2.824 -6.235 1.00 0.00 O ATOM 370 CB GLN A 27 -3.465 -5.448 -7.333 1.00 0.00 C ATOM 371 CG GLN A 27 -3.022 -6.902 -7.331 1.00 0.00 C ATOM 372 CD GLN A 27 -3.368 -7.619 -8.621 1.00 0.00 C ATOM 373 OE1 GLN A 27 -4.309 -7.243 -9.321 1.00 0.00 O ATOM 374 NE2 GLN A 27 -2.607 -8.659 -8.943 1.00 0.00 N ATOM 0 H GLN A 27 -5.544 -5.666 -5.853 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.716 -5.073 -5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.418 -5.368 -7.856 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.742 -4.857 -7.896 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.945 -6.949 -7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.492 -7.420 -6.495 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.837 -8.936 -8.334 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.792 -9.181 -9.800 1.00 0.00 H new ATOM 383 N LEU A 28 -2.655 -2.624 -5.868 1.00 0.00 N ATOM 384 CA LEU A 28 -2.664 -1.167 -5.935 1.00 0.00 C ATOM 385 C LEU A 28 -1.574 -0.658 -6.872 1.00 0.00 C ATOM 386 O LEU A 28 -0.597 -1.356 -7.142 1.00 0.00 O ATOM 387 CB LEU A 28 -2.471 -0.572 -4.539 1.00 0.00 C ATOM 388 CG LEU A 28 -3.503 -0.981 -3.486 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.900 -0.910 -2.092 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.739 -0.098 -3.581 1.00 0.00 C ATOM 0 H LEU A 28 -1.737 -3.032 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.631 -0.852 -6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.482 -0.855 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.480 0.515 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.801 -2.012 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.649 -1.204 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.046 -1.584 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.573 0.110 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.463 -0.403 -2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.457 0.942 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.184 -0.200 -4.571 1.00 0.00 H new ATOM 402 N ARG A 29 -1.748 0.565 -7.364 1.00 0.00 N ATOM 403 CA ARG A 29 -0.779 1.169 -8.270 1.00 0.00 C ATOM 404 C ARG A 29 -0.779 2.688 -8.133 1.00 0.00 C ATOM 405 O ARG A 29 -1.692 3.364 -8.608 1.00 0.00 O ATOM 406 CB ARG A 29 -1.088 0.776 -9.716 1.00 0.00 C ATOM 407 CG ARG A 29 -0.329 1.598 -10.746 1.00 0.00 C ATOM 408 CD ARG A 29 -0.167 0.840 -12.054 1.00 0.00 C ATOM 409 NE ARG A 29 -1.283 1.078 -12.966 1.00 0.00 N ATOM 410 CZ ARG A 29 -1.240 0.808 -14.266 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.143 0.293 -14.803 1.00 0.00 N ATOM 412 NH2 ARG A 29 -2.296 1.052 -15.031 1.00 0.00 N ATOM 0 H ARG A 29 -2.551 1.156 -7.150 1.00 0.00 H new ATOM 0 HA ARG A 29 0.211 0.798 -8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.848 -0.278 -9.856 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.158 0.886 -9.893 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.859 2.533 -10.929 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.653 1.860 -10.352 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.764 1.141 -12.534 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.089 -0.227 -11.847 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.142 1.473 -12.584 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.671 0.103 -14.218 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.112 0.087 -15.801 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.142 1.447 -14.621 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.262 0.844 -16.029 1.00 0.00 H new ATOM 426 N TRP A 30 0.249 3.218 -7.480 1.00 0.00 N ATOM 427 CA TRP A 30 0.367 4.658 -7.280 1.00 0.00 C ATOM 428 C TRP A 30 1.603 5.206 -7.984 1.00 0.00 C ATOM 429 O TRP A 30 2.294 4.482 -8.699 1.00 0.00 O ATOM 430 CB TRP A 30 0.429 4.982 -5.787 1.00 0.00 C ATOM 431 CG TRP A 30 1.554 4.293 -5.075 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.748 4.842 -4.705 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.590 2.926 -4.651 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.524 3.899 -4.076 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.836 2.715 -4.029 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.690 1.860 -4.734 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.203 1.482 -3.496 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.055 0.637 -4.205 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.302 0.456 -3.592 1.00 0.00 C ATOM 0 H TRP A 30 1.013 2.673 -7.080 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.514 5.133 -7.712 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.534 6.059 -5.661 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.515 4.697 -5.321 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.040 5.867 -4.881 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.461 4.055 -3.704 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.274 1.990 -5.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.164 1.340 -3.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.367 -0.194 -4.265 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.557 -0.512 -3.187 1.00 0.00 H new ATOM 450 N GLY A 31 1.877 6.491 -7.776 1.00 0.00 N ATOM 451 CA GLY A 31 3.031 7.113 -8.398 1.00 0.00 C ATOM 452 C GLY A 31 3.706 8.121 -7.490 1.00 0.00 C ATOM 453 O GLY A 31 3.259 8.378 -6.371 1.00 0.00 O ATOM 0 H GLY A 31 1.320 7.111 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.749 6.342 -8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.721 7.608 -9.318 1.00 0.00 H new ATOM 457 N PRO A 32 4.810 8.711 -7.971 1.00 0.00 N ATOM 458 CA PRO A 32 5.573 9.705 -7.210 1.00 0.00 C ATOM 459 C PRO A 32 4.818 11.021 -7.056 1.00 0.00 C ATOM 460 O PRO A 32 4.233 11.543 -8.005 1.00 0.00 O ATOM 461 CB PRO A 32 6.834 9.907 -8.053 1.00 0.00 C ATOM 462 CG PRO A 32 6.425 9.544 -9.439 1.00 0.00 C ATOM 463 CD PRO A 32 5.399 8.453 -9.296 1.00 0.00 C ATOM 0 HA PRO A 32 5.774 9.372 -6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.184 10.938 -8.001 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.650 9.275 -7.703 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.008 10.405 -9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.280 9.201 -10.021 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.649 8.501 -10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.854 7.464 -9.348 1.00 0.00 H new ATOM 471 N PRO A 33 4.830 11.572 -5.833 1.00 0.00 N ATOM 472 CA PRO A 33 4.152 12.835 -5.527 1.00 0.00 C ATOM 473 C PRO A 33 4.835 14.032 -6.181 1.00 0.00 C ATOM 474 O PRO A 33 6.030 13.995 -6.474 1.00 0.00 O ATOM 475 CB PRO A 33 4.250 12.930 -4.003 1.00 0.00 C ATOM 476 CG PRO A 33 5.450 12.121 -3.649 1.00 0.00 C ATOM 477 CD PRO A 33 5.507 11.005 -4.655 1.00 0.00 C ATOM 0 HA PRO A 33 3.129 12.851 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.360 13.964 -3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.353 12.538 -3.523 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.355 12.728 -3.687 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.371 11.729 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.535 10.720 -4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.000 10.111 -4.292 1.00 0.00 H new ATOM 485 N LEU A 34 4.068 15.094 -6.406 1.00 0.00 N ATOM 486 CA LEU A 34 4.600 16.304 -7.025 1.00 0.00 C ATOM 487 C LEU A 34 5.542 17.033 -6.073 1.00 0.00 C ATOM 488 O LEU A 34 6.570 17.568 -6.489 1.00 0.00 O ATOM 489 CB LEU A 34 3.457 17.232 -7.440 1.00 0.00 C ATOM 490 CG LEU A 34 2.909 17.031 -8.853 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.459 17.484 -8.933 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.761 17.780 -9.867 1.00 0.00 C ATOM 0 H LEU A 34 3.077 15.142 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 34 5.163 16.012 -7.911 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.638 17.105 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.801 18.262 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 34 2.949 15.968 -9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.086 17.333 -9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.857 16.903 -8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.393 18.541 -8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.356 17.626 -10.867 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.754 18.845 -9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.785 17.407 -9.828 1.00 0.00 H new ATOM 504 N VAL A 35 5.186 17.049 -4.792 1.00 0.00 N ATOM 505 CA VAL A 35 6.001 17.710 -3.780 1.00 0.00 C ATOM 506 C VAL A 35 6.794 16.694 -2.964 1.00 0.00 C ATOM 507 O VAL A 35 6.320 16.198 -1.942 1.00 0.00 O ATOM 508 CB VAL A 35 5.136 18.555 -2.826 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.014 19.424 -1.939 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.152 19.406 -3.614 1.00 0.00 C ATOM 0 H VAL A 35 4.338 16.612 -4.431 1.00 0.00 H new ATOM 0 HA VAL A 35 6.692 18.366 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 35 4.567 17.882 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.386 20.014 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.675 18.790 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.611 20.092 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.549 19.997 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.700 20.073 -4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.502 18.759 -4.203 1.00 0.00 H new ATOM 520 N ASP A 36 8.003 16.391 -3.422 1.00 0.00 N ATOM 521 CA ASP A 36 8.864 15.435 -2.734 1.00 0.00 C ATOM 522 C ASP A 36 9.702 16.130 -1.665 1.00 0.00 C ATOM 523 O ASP A 36 10.759 15.638 -1.273 1.00 0.00 O ATOM 524 CB ASP A 36 9.777 14.726 -3.735 1.00 0.00 C ATOM 525 CG ASP A 36 10.673 15.692 -4.486 1.00 0.00 C ATOM 526 OD1 ASP A 36 10.996 16.760 -3.926 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.051 15.378 -5.634 1.00 0.00 O ATOM 0 H ASP A 36 8.410 16.793 -4.267 1.00 0.00 H new ATOM 0 HA ASP A 36 8.228 14.695 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.394 13.998 -3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.168 14.171 -4.448 1.00 0.00 H new ATOM 532 N GLY A 37 9.223 17.280 -1.199 1.00 0.00 N ATOM 533 CA GLY A 37 9.941 18.025 -0.182 1.00 0.00 C ATOM 534 C GLY A 37 11.241 18.607 -0.699 1.00 0.00 C ATOM 535 O GLY A 37 12.175 18.839 0.069 1.00 0.00 O ATOM 0 H GLY A 37 8.350 17.708 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.308 18.831 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.151 17.370 0.664 1.00 0.00 H new ATOM 539 N GLY A 38 11.304 18.844 -2.006 1.00 0.00 N ATOM 540 CA GLY A 38 12.505 19.399 -2.603 1.00 0.00 C ATOM 541 C GLY A 38 13.584 18.355 -2.812 1.00 0.00 C ATOM 542 O GLY A 38 14.603 18.625 -3.448 1.00 0.00 O ATOM 0 H GLY A 38 10.545 18.661 -2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.254 19.854 -3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.891 20.193 -1.964 1.00 0.00 H new ATOM 546 N SER A 39 13.361 17.160 -2.275 1.00 0.00 N ATOM 547 CA SER A 39 14.326 16.074 -2.401 1.00 0.00 C ATOM 548 C SER A 39 13.708 14.880 -3.123 1.00 0.00 C ATOM 549 O SER A 39 12.502 14.639 -3.058 1.00 0.00 O ATOM 550 CB SER A 39 14.828 15.646 -1.021 1.00 0.00 C ATOM 551 OG SER A 39 15.729 16.601 -0.487 1.00 0.00 O ATOM 0 H SER A 39 12.521 16.919 -1.749 1.00 0.00 H new ATOM 0 HA SER A 39 15.169 16.436 -2.989 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.982 15.522 -0.345 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.322 14.677 -1.095 1.00 0.00 H new ATOM 0 HG SER A 39 15.374 16.950 0.357 1.00 0.00 H new ATOM 557 N PRO A 40 14.553 14.114 -3.828 1.00 0.00 N ATOM 558 CA PRO A 40 14.113 12.932 -4.576 1.00 0.00 C ATOM 559 C PRO A 40 13.689 11.790 -3.658 1.00 0.00 C ATOM 560 O PRO A 40 14.499 11.261 -2.896 1.00 0.00 O ATOM 561 CB PRO A 40 15.355 12.539 -5.380 1.00 0.00 C ATOM 562 CG PRO A 40 16.501 13.078 -4.596 1.00 0.00 C ATOM 563 CD PRO A 40 16.002 14.342 -3.950 1.00 0.00 C ATOM 0 HA PRO A 40 13.238 13.141 -5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.427 11.457 -5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.327 12.964 -6.384 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.832 12.360 -3.845 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.355 13.281 -5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.466 14.506 -2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.221 15.218 -4.560 1.00 0.00 H new ATOM 571 N ILE A 41 12.417 11.415 -3.737 1.00 0.00 N ATOM 572 CA ILE A 41 11.887 10.335 -2.914 1.00 0.00 C ATOM 573 C ILE A 41 12.934 9.247 -2.694 1.00 0.00 C ATOM 574 O ILE A 41 13.815 9.042 -3.529 1.00 0.00 O ATOM 575 CB ILE A 41 10.634 9.705 -3.550 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.565 10.773 -3.788 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.093 8.593 -2.665 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.094 11.449 -2.519 1.00 0.00 C ATOM 0 H ILE A 41 11.734 11.843 -4.362 1.00 0.00 H new ATOM 0 HA ILE A 41 11.615 10.774 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 41 10.910 9.274 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.962 11.528 -4.467 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.710 10.315 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.207 8.158 -3.128 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.854 7.823 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.829 9.001 -1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.337 12.194 -2.763 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.667 10.704 -1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.938 11.936 -2.031 1.00 0.00 H new ATOM 590 N SER A 42 12.829 8.552 -1.566 1.00 0.00 N ATOM 591 CA SER A 42 13.767 7.486 -1.235 1.00 0.00 C ATOM 592 C SER A 42 13.033 6.168 -1.006 1.00 0.00 C ATOM 593 O SER A 42 13.538 5.097 -1.345 1.00 0.00 O ATOM 594 CB SER A 42 14.574 7.857 0.010 1.00 0.00 C ATOM 595 OG SER A 42 15.477 6.822 0.360 1.00 0.00 O ATOM 0 H SER A 42 12.104 8.708 -0.866 1.00 0.00 H new ATOM 0 HA SER A 42 14.448 7.360 -2.077 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.126 8.779 -0.172 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.897 8.050 0.842 1.00 0.00 H new ATOM 0 HG SER A 42 15.982 7.084 1.158 1.00 0.00 H new ATOM 601 N CYS A 43 11.840 6.256 -0.429 1.00 0.00 N ATOM 602 CA CYS A 43 11.036 5.071 -0.153 1.00 0.00 C ATOM 603 C CYS A 43 9.601 5.456 0.194 1.00 0.00 C ATOM 604 O CYS A 43 9.357 6.501 0.797 1.00 0.00 O ATOM 605 CB CYS A 43 11.651 4.266 0.993 1.00 0.00 C ATOM 606 SG CYS A 43 12.356 5.282 2.312 1.00 0.00 S ATOM 0 H CYS A 43 11.408 7.135 -0.143 1.00 0.00 H new ATOM 0 HA CYS A 43 11.021 4.456 -1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.886 3.617 1.418 1.00 0.00 H new ATOM 0 HB3 CYS A 43 12.431 3.619 0.591 1.00 0.00 H new ATOM 0 HG CYS A 43 12.849 4.512 3.236 1.00 0.00 H new ATOM 612 N TYR A 44 8.656 4.606 -0.193 1.00 0.00 N ATOM 613 CA TYR A 44 7.245 4.860 0.073 1.00 0.00 C ATOM 614 C TYR A 44 6.716 3.918 1.151 1.00 0.00 C ATOM 615 O TYR A 44 7.398 2.978 1.559 1.00 0.00 O ATOM 616 CB TYR A 44 6.426 4.697 -1.208 1.00 0.00 C ATOM 617 CG TYR A 44 6.759 5.717 -2.274 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.262 7.012 -2.203 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.572 5.385 -3.350 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.563 7.947 -3.175 1.00 0.00 C ATOM 621 CE2 TYR A 44 7.880 6.313 -4.326 1.00 0.00 C ATOM 622 CZ TYR A 44 7.372 7.593 -4.234 1.00 0.00 C ATOM 623 OH TYR A 44 7.676 8.521 -5.203 1.00 0.00 O ATOM 0 H TYR A 44 8.841 3.736 -0.692 1.00 0.00 H new ATOM 0 HA TYR A 44 7.147 5.885 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.591 3.697 -1.610 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.366 4.772 -0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.629 7.293 -1.374 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.970 4.384 -3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.167 8.949 -3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.514 6.039 -5.156 1.00 0.00 H new ATOM 0 HH TYR A 44 8.643 8.524 -5.361 1.00 0.00 H new ATOM 633 N SER A 45 5.496 4.179 1.608 1.00 0.00 N ATOM 634 CA SER A 45 4.875 3.358 2.641 1.00 0.00 C ATOM 635 C SER A 45 3.356 3.362 2.498 1.00 0.00 C ATOM 636 O SER A 45 2.732 4.420 2.412 1.00 0.00 O ATOM 637 CB SER A 45 5.269 3.864 4.030 1.00 0.00 C ATOM 638 OG SER A 45 4.350 3.421 5.014 1.00 0.00 O ATOM 0 H SER A 45 4.918 4.952 1.279 1.00 0.00 H new ATOM 0 HA SER A 45 5.231 2.335 2.520 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.270 3.512 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.306 4.953 4.027 1.00 0.00 H new ATOM 0 HG SER A 45 4.813 3.317 5.871 1.00 0.00 H new ATOM 644 N VAL A 46 2.767 2.171 2.474 1.00 0.00 N ATOM 645 CA VAL A 46 1.321 2.036 2.343 1.00 0.00 C ATOM 646 C VAL A 46 0.693 1.561 3.648 1.00 0.00 C ATOM 647 O VAL A 46 0.850 0.404 4.039 1.00 0.00 O ATOM 648 CB VAL A 46 0.949 1.050 1.219 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.561 0.887 1.130 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.522 1.518 -0.110 1.00 0.00 C ATOM 0 H VAL A 46 3.269 1.286 2.544 1.00 0.00 H new ATOM 0 HA VAL A 46 0.932 3.023 2.094 1.00 0.00 H new ATOM 0 HB VAL A 46 1.382 0.078 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.805 0.187 0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.942 0.504 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.019 1.853 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.250 0.810 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.119 2.501 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.608 1.578 -0.037 1.00 0.00 H new ATOM 660 N GLU A 47 -0.020 2.461 4.318 1.00 0.00 N ATOM 661 CA GLU A 47 -0.672 2.133 5.580 1.00 0.00 C ATOM 662 C GLU A 47 -2.153 1.834 5.366 1.00 0.00 C ATOM 663 O GLU A 47 -2.979 2.744 5.312 1.00 0.00 O ATOM 664 CB GLU A 47 -0.512 3.284 6.577 1.00 0.00 C ATOM 665 CG GLU A 47 -1.137 3.006 7.933 1.00 0.00 C ATOM 666 CD GLU A 47 -0.953 4.154 8.907 1.00 0.00 C ATOM 667 OE1 GLU A 47 0.195 4.390 9.337 1.00 0.00 O ATOM 668 OE2 GLU A 47 -1.959 4.817 9.237 1.00 0.00 O ATOM 0 H GLU A 47 -0.161 3.422 4.008 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.194 1.241 5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.549 3.492 6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.962 4.183 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.202 2.810 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.695 2.103 8.354 1.00 0.00 H new ATOM 675 N MET A 48 -2.479 0.551 5.245 1.00 0.00 N ATOM 676 CA MET A 48 -3.860 0.131 5.037 1.00 0.00 C ATOM 677 C MET A 48 -4.562 -0.109 6.371 1.00 0.00 C ATOM 678 O MET A 48 -3.948 -0.576 7.330 1.00 0.00 O ATOM 679 CB MET A 48 -3.907 -1.140 4.187 1.00 0.00 C ATOM 680 CG MET A 48 -5.304 -1.719 4.035 1.00 0.00 C ATOM 681 SD MET A 48 -5.296 -3.511 3.834 1.00 0.00 S ATOM 682 CE MET A 48 -4.924 -4.037 5.506 1.00 0.00 C ATOM 0 H MET A 48 -1.807 -0.215 5.287 1.00 0.00 H new ATOM 0 HA MET A 48 -4.381 0.931 4.511 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.504 -0.921 3.198 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.258 -1.892 4.636 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.898 -1.458 4.911 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.790 -1.263 3.173 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.164 -4.818 5.481 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.554 -3.188 6.081 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.828 -4.426 5.975 1.00 0.00 H new ATOM 692 N SER A 49 -5.850 0.212 6.423 1.00 0.00 N ATOM 693 CA SER A 49 -6.634 0.035 7.640 1.00 0.00 C ATOM 694 C SER A 49 -8.099 -0.229 7.309 1.00 0.00 C ATOM 695 O SER A 49 -8.692 0.413 6.442 1.00 0.00 O ATOM 696 CB SER A 49 -6.516 1.272 8.532 1.00 0.00 C ATOM 697 OG SER A 49 -7.538 2.210 8.242 1.00 0.00 O ATOM 0 H SER A 49 -6.374 0.596 5.636 1.00 0.00 H new ATOM 0 HA SER A 49 -6.239 -0.829 8.175 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.576 0.976 9.579 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.540 1.736 8.388 1.00 0.00 H new ATOM 0 HG SER A 49 -7.525 2.422 7.285 1.00 0.00 H new ATOM 703 N PRO A 50 -8.699 -1.199 8.016 1.00 0.00 N ATOM 704 CA PRO A 50 -10.103 -1.571 7.816 1.00 0.00 C ATOM 705 C PRO A 50 -11.064 -0.490 8.298 1.00 0.00 C ATOM 706 O PRO A 50 -11.263 -0.315 9.501 1.00 0.00 O ATOM 707 CB PRO A 50 -10.257 -2.839 8.660 1.00 0.00 C ATOM 708 CG PRO A 50 -9.205 -2.725 9.710 1.00 0.00 C ATOM 709 CD PRO A 50 -8.053 -2.005 9.065 1.00 0.00 C ATOM 0 HA PRO A 50 -10.341 -1.712 6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.252 -2.903 9.101 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.118 -3.736 8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.575 -2.174 10.575 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.900 -3.709 10.066 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.519 -1.380 9.780 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.327 -2.702 8.646 1.00 0.00 H new ATOM 717 N ILE A 51 -11.656 0.232 7.353 1.00 0.00 N ATOM 718 CA ILE A 51 -12.598 1.295 7.683 1.00 0.00 C ATOM 719 C ILE A 51 -13.444 0.924 8.896 1.00 0.00 C ATOM 720 O ILE A 51 -13.756 1.773 9.730 1.00 0.00 O ATOM 721 CB ILE A 51 -13.530 1.609 6.498 1.00 0.00 C ATOM 722 CG1 ILE A 51 -14.809 2.287 6.992 1.00 0.00 C ATOM 723 CG2 ILE A 51 -13.861 0.336 5.733 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.451 3.190 5.963 1.00 0.00 C ATOM 0 H ILE A 51 -11.501 0.101 6.353 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.006 2.180 7.914 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.016 2.293 5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.525 1.521 7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.580 2.871 7.883 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.521 0.574 4.898 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.942 -0.110 5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.358 -0.370 6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.353 3.636 6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.752 3.978 5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.712 2.607 5.080 1.00 0.00 H new ATOM 736 N GLU A 52 -13.809 -0.351 8.988 1.00 0.00 N ATOM 737 CA GLU A 52 -14.618 -0.835 10.100 1.00 0.00 C ATOM 738 C GLU A 52 -13.948 -0.526 11.436 1.00 0.00 C ATOM 739 O GLU A 52 -14.588 -0.039 12.368 1.00 0.00 O ATOM 740 CB GLU A 52 -14.854 -2.341 9.972 1.00 0.00 C ATOM 741 CG GLU A 52 -13.594 -3.129 9.656 1.00 0.00 C ATOM 742 CD GLU A 52 -13.844 -4.623 9.578 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.462 -5.171 10.514 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.421 -5.243 8.580 1.00 0.00 O ATOM 0 H GLU A 52 -13.557 -1.067 8.306 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.578 -0.320 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.282 -2.714 10.903 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.590 -2.520 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.182 -2.783 8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.844 -2.929 10.421 1.00 0.00 H new ATOM 751 N LYS A 53 -12.653 -0.813 11.521 1.00 0.00 N ATOM 752 CA LYS A 53 -11.893 -0.566 12.741 1.00 0.00 C ATOM 753 C LYS A 53 -10.577 0.140 12.428 1.00 0.00 C ATOM 754 O LYS A 53 -9.899 -0.192 11.456 1.00 0.00 O ATOM 755 CB LYS A 53 -11.617 -1.883 13.469 1.00 0.00 C ATOM 756 CG LYS A 53 -10.507 -2.706 12.838 1.00 0.00 C ATOM 757 CD LYS A 53 -10.173 -3.928 13.677 1.00 0.00 C ATOM 758 CE LYS A 53 -9.416 -4.970 12.867 1.00 0.00 C ATOM 759 NZ LYS A 53 -10.338 -5.862 12.112 1.00 0.00 N ATOM 0 H LYS A 53 -12.108 -1.217 10.759 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.488 0.081 13.386 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.354 -1.668 14.505 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.531 -2.476 13.489 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.809 -3.021 11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.616 -2.089 12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.574 -3.628 14.537 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.092 -4.366 14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.743 -4.470 12.170 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.796 -5.569 13.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.784 -6.558 11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.964 -6.359 12.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.912 -5.294 11.457 1.00 0.00 H new ATOM 773 N ASP A 54 -10.222 1.114 13.259 1.00 0.00 N ATOM 774 CA ASP A 54 -8.986 1.865 13.073 1.00 0.00 C ATOM 775 C ASP A 54 -7.771 1.003 13.404 1.00 0.00 C ATOM 776 O ASP A 54 -7.242 1.061 14.513 1.00 0.00 O ATOM 777 CB ASP A 54 -8.990 3.120 13.947 1.00 0.00 C ATOM 778 CG ASP A 54 -7.959 4.139 13.502 1.00 0.00 C ATOM 779 OD1 ASP A 54 -6.769 3.966 13.840 1.00 0.00 O ATOM 780 OD2 ASP A 54 -8.343 5.109 12.817 1.00 0.00 O ATOM 0 H ASP A 54 -10.773 1.402 14.068 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.924 2.161 12.026 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.980 3.574 13.921 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.796 2.839 14.982 1.00 0.00 H new ATOM 785 N GLU A 55 -7.336 0.205 12.434 1.00 0.00 N ATOM 786 CA GLU A 55 -6.185 -0.669 12.624 1.00 0.00 C ATOM 787 C GLU A 55 -5.215 -0.555 11.451 1.00 0.00 C ATOM 788 O GLU A 55 -4.934 -1.526 10.748 1.00 0.00 O ATOM 789 CB GLU A 55 -6.641 -2.121 12.783 1.00 0.00 C ATOM 790 CG GLU A 55 -5.713 -2.959 13.647 1.00 0.00 C ATOM 791 CD GLU A 55 -6.069 -4.433 13.626 1.00 0.00 C ATOM 792 OE1 GLU A 55 -5.557 -5.154 12.744 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.859 -4.865 14.491 1.00 0.00 O ATOM 0 H GLU A 55 -7.763 0.146 11.510 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.669 -0.356 13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.640 -2.134 13.219 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.718 -2.579 11.797 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.687 -2.832 13.301 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.751 -2.595 14.674 1.00 0.00 H new ATOM 800 N PRO A 56 -4.692 0.660 11.233 1.00 0.00 N ATOM 801 CA PRO A 56 -3.746 0.931 10.147 1.00 0.00 C ATOM 802 C PRO A 56 -2.387 0.281 10.385 1.00 0.00 C ATOM 803 O PRO A 56 -1.795 0.432 11.453 1.00 0.00 O ATOM 804 CB PRO A 56 -3.618 2.457 10.160 1.00 0.00 C ATOM 805 CG PRO A 56 -3.954 2.853 11.556 1.00 0.00 C ATOM 806 CD PRO A 56 -4.982 1.863 12.031 1.00 0.00 C ATOM 0 HA PRO A 56 -4.092 0.526 9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.610 2.772 9.891 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.298 2.918 9.443 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.069 2.832 12.192 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.346 3.869 11.590 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.889 1.668 13.099 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.996 2.224 11.860 1.00 0.00 H new ATOM 814 N ARG A 57 -1.899 -0.443 9.383 1.00 0.00 N ATOM 815 CA ARG A 57 -0.610 -1.117 9.484 1.00 0.00 C ATOM 816 C ARG A 57 0.148 -1.042 8.162 1.00 0.00 C ATOM 817 O ARG A 57 -0.455 -1.055 7.089 1.00 0.00 O ATOM 818 CB ARG A 57 -0.806 -2.579 9.891 1.00 0.00 C ATOM 819 CG ARG A 57 -1.720 -3.354 8.955 1.00 0.00 C ATOM 820 CD ARG A 57 -0.937 -4.012 7.830 1.00 0.00 C ATOM 821 NE ARG A 57 -0.301 -5.254 8.259 1.00 0.00 N ATOM 822 CZ ARG A 57 -0.955 -6.401 8.409 1.00 0.00 C ATOM 823 NH1 ARG A 57 -2.257 -6.462 8.165 1.00 0.00 N ATOM 824 NH2 ARG A 57 -0.307 -7.489 8.803 1.00 0.00 N ATOM 0 H ARG A 57 -2.377 -0.578 8.492 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.022 -0.610 10.249 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.166 -3.071 9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.218 -2.615 10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.259 -4.116 9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.467 -2.681 8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.606 -4.217 6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.176 -3.322 7.466 1.00 0.00 H new ATOM 0 HE ARG A 57 0.700 -5.241 8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.759 -5.627 7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.757 -7.344 8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.695 -7.446 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.810 -8.369 8.918 1.00 0.00 H new ATOM 838 N GLU A 58 1.472 -0.965 8.249 1.00 0.00 N ATOM 839 CA GLU A 58 2.311 -0.887 7.059 1.00 0.00 C ATOM 840 C GLU A 58 2.288 -2.204 6.289 1.00 0.00 C ATOM 841 O GLU A 58 3.093 -3.100 6.545 1.00 0.00 O ATOM 842 CB GLU A 58 3.750 -0.534 7.444 1.00 0.00 C ATOM 843 CG GLU A 58 4.740 -0.684 6.302 1.00 0.00 C ATOM 844 CD GLU A 58 6.181 -0.570 6.760 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.480 0.349 7.552 1.00 0.00 O ATOM 846 OE2 GLU A 58 7.009 -1.398 6.328 1.00 0.00 O ATOM 0 H GLU A 58 1.986 -0.955 9.130 1.00 0.00 H new ATOM 0 HA GLU A 58 1.912 -0.103 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.779 0.494 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.063 -1.172 8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.591 -1.651 5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.540 0.080 5.550 1.00 0.00 H new ATOM 853 N VAL A 59 1.359 -2.315 5.345 1.00 0.00 N ATOM 854 CA VAL A 59 1.229 -3.522 4.537 1.00 0.00 C ATOM 855 C VAL A 59 2.387 -3.651 3.554 1.00 0.00 C ATOM 856 O VAL A 59 2.782 -4.758 3.186 1.00 0.00 O ATOM 857 CB VAL A 59 -0.097 -3.534 3.755 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.276 -3.689 4.704 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.236 -2.269 2.922 1.00 0.00 C ATOM 0 H VAL A 59 0.685 -1.583 5.121 1.00 0.00 H new ATOM 0 HA VAL A 59 1.243 -4.367 5.225 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.091 -4.389 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.204 -3.695 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.181 -4.626 5.252 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.289 -2.857 5.408 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.179 -2.295 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.220 -1.398 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.591 -2.206 2.215 1.00 0.00 H new ATOM 869 N TYR A 60 2.929 -2.514 3.133 1.00 0.00 N ATOM 870 CA TYR A 60 4.041 -2.500 2.191 1.00 0.00 C ATOM 871 C TYR A 60 5.029 -1.388 2.530 1.00 0.00 C ATOM 872 O TYR A 60 4.691 -0.438 3.236 1.00 0.00 O ATOM 873 CB TYR A 60 3.525 -2.319 0.762 1.00 0.00 C ATOM 874 CG TYR A 60 4.620 -2.295 -0.280 1.00 0.00 C ATOM 875 CD1 TYR A 60 5.103 -3.474 -0.835 1.00 0.00 C ATOM 876 CD2 TYR A 60 5.173 -1.095 -0.707 1.00 0.00 C ATOM 877 CE1 TYR A 60 6.105 -3.457 -1.787 1.00 0.00 C ATOM 878 CE2 TYR A 60 6.174 -1.068 -1.659 1.00 0.00 C ATOM 879 CZ TYR A 60 6.637 -2.252 -2.196 1.00 0.00 C ATOM 880 OH TYR A 60 7.634 -2.230 -3.143 1.00 0.00 O ATOM 0 H TYR A 60 2.616 -1.590 3.429 1.00 0.00 H new ATOM 0 HA TYR A 60 4.558 -3.457 2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.832 -3.128 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.960 -1.389 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.689 -4.419 -0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.814 -0.167 -0.288 1.00 0.00 H new ATOM 0 HE1 TYR A 60 6.469 -4.382 -2.208 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.592 -0.126 -1.981 1.00 0.00 H new ATOM 0 HH TYR A 60 7.531 -2.997 -3.744 1.00 0.00 H new ATOM 890 N GLN A 61 6.250 -1.515 2.022 1.00 0.00 N ATOM 891 CA GLN A 61 7.288 -0.521 2.271 1.00 0.00 C ATOM 892 C GLN A 61 8.518 -0.791 1.411 1.00 0.00 C ATOM 893 O GLN A 61 9.190 -1.809 1.573 1.00 0.00 O ATOM 894 CB GLN A 61 7.676 -0.518 3.751 1.00 0.00 C ATOM 895 CG GLN A 61 8.584 0.638 4.139 1.00 0.00 C ATOM 896 CD GLN A 61 8.819 0.718 5.635 1.00 0.00 C ATOM 897 OE1 GLN A 61 8.135 1.646 6.293 1.00 0.00 O flip ATOM 898 NE2 GLN A 61 9.607 -0.046 6.193 1.00 0.00 N flip ATOM 0 H GLN A 61 6.545 -2.296 1.436 1.00 0.00 H new ATOM 0 HA GLN A 61 6.890 0.458 2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.770 -0.476 4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.175 -1.457 3.989 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.542 0.530 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.143 1.573 3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.112 -0.745 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.755 0.020 7.200 1.00 0.00 H new ATOM 907 N GLY A 62 8.808 0.129 0.495 1.00 0.00 N ATOM 908 CA GLY A 62 9.957 -0.029 -0.377 1.00 0.00 C ATOM 909 C GLY A 62 10.246 1.219 -1.187 1.00 0.00 C ATOM 910 O GLY A 62 10.225 2.329 -0.657 1.00 0.00 O ATOM 0 H GLY A 62 8.268 0.980 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.832 -0.280 0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.783 -0.866 -1.054 1.00 0.00 H new ATOM 914 N SER A 63 10.518 1.037 -2.475 1.00 0.00 N ATOM 915 CA SER A 63 10.818 2.157 -3.359 1.00 0.00 C ATOM 916 C SER A 63 9.866 2.179 -4.551 1.00 0.00 C ATOM 917 O SER A 63 9.663 3.218 -5.177 1.00 0.00 O ATOM 918 CB SER A 63 12.265 2.074 -3.849 1.00 0.00 C ATOM 919 OG SER A 63 12.475 2.923 -4.964 1.00 0.00 O ATOM 0 H SER A 63 10.537 0.124 -2.930 1.00 0.00 H new ATOM 0 HA SER A 63 10.686 3.079 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.942 2.354 -3.042 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.502 1.045 -4.121 1.00 0.00 H new ATOM 0 HG SER A 63 13.407 2.853 -5.257 1.00 0.00 H new ATOM 925 N GLU A 64 9.285 1.023 -4.858 1.00 0.00 N ATOM 926 CA GLU A 64 8.355 0.909 -5.975 1.00 0.00 C ATOM 927 C GLU A 64 7.054 1.649 -5.678 1.00 0.00 C ATOM 928 O GLU A 64 6.839 2.127 -4.564 1.00 0.00 O ATOM 929 CB GLU A 64 8.061 -0.562 -6.275 1.00 0.00 C ATOM 930 CG GLU A 64 9.256 -1.321 -6.828 1.00 0.00 C ATOM 931 CD GLU A 64 10.439 -1.318 -5.880 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.225 -1.490 -4.662 1.00 0.00 O ATOM 933 OE2 GLU A 64 11.580 -1.145 -6.358 1.00 0.00 O ATOM 0 H GLU A 64 9.442 0.153 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 64 8.820 1.364 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.723 -1.050 -5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.241 -0.621 -6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.964 -2.350 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.555 -0.878 -7.778 1.00 0.00 H new ATOM 940 N VAL A 65 6.189 1.740 -6.683 1.00 0.00 N ATOM 941 CA VAL A 65 4.909 2.421 -6.530 1.00 0.00 C ATOM 942 C VAL A 65 3.746 1.472 -6.800 1.00 0.00 C ATOM 943 O VAL A 65 2.657 1.901 -7.178 1.00 0.00 O ATOM 944 CB VAL A 65 4.800 3.630 -7.477 1.00 0.00 C ATOM 945 CG1 VAL A 65 5.981 4.569 -7.283 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.709 3.168 -8.924 1.00 0.00 C ATOM 0 H VAL A 65 6.351 1.351 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 65 4.858 2.771 -5.499 1.00 0.00 H new ATOM 0 HB VAL A 65 3.888 4.176 -7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.886 5.417 -7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.996 4.927 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.908 4.036 -7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.633 4.036 -9.579 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.602 2.597 -9.181 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.828 2.539 -9.050 1.00 0.00 H new ATOM 956 N GLU A 66 3.987 0.179 -6.603 1.00 0.00 N ATOM 957 CA GLU A 66 2.959 -0.831 -6.826 1.00 0.00 C ATOM 958 C GLU A 66 3.240 -2.084 -6.002 1.00 0.00 C ATOM 959 O GLU A 66 4.372 -2.568 -5.956 1.00 0.00 O ATOM 960 CB GLU A 66 2.879 -1.190 -8.311 1.00 0.00 C ATOM 961 CG GLU A 66 4.186 -1.713 -8.882 1.00 0.00 C ATOM 962 CD GLU A 66 4.094 -2.021 -10.364 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.992 -1.067 -11.162 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.124 -3.216 -10.725 1.00 0.00 O ATOM 0 H GLU A 66 4.884 -0.193 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 66 2.002 -0.416 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.103 -1.943 -8.453 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.574 -0.308 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.971 -0.976 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.477 -2.615 -8.345 1.00 0.00 H new ATOM 971 N CYS A 67 2.204 -2.604 -5.354 1.00 0.00 N ATOM 972 CA CYS A 67 2.338 -3.800 -4.530 1.00 0.00 C ATOM 973 C CYS A 67 1.019 -4.562 -4.458 1.00 0.00 C ATOM 974 O CYS A 67 0.011 -4.135 -5.022 1.00 0.00 O ATOM 975 CB CYS A 67 2.803 -3.425 -3.122 1.00 0.00 C ATOM 976 SG CYS A 67 1.518 -2.673 -2.097 1.00 0.00 S ATOM 0 H CYS A 67 1.261 -2.216 -5.383 1.00 0.00 H new ATOM 0 HA CYS A 67 3.085 -4.447 -4.991 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.174 -4.320 -2.623 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.642 -2.733 -3.200 1.00 0.00 H new ATOM 0 HG CYS A 67 1.134 -1.553 -2.634 1.00 0.00 H new ATOM 982 N THR A 68 1.032 -5.694 -3.761 1.00 0.00 N ATOM 983 CA THR A 68 -0.161 -6.517 -3.617 1.00 0.00 C ATOM 984 C THR A 68 -0.504 -6.737 -2.148 1.00 0.00 C ATOM 985 O THR A 68 0.268 -7.344 -1.405 1.00 0.00 O ATOM 986 CB THR A 68 0.014 -7.885 -4.302 1.00 0.00 C ATOM 987 OG1 THR A 68 0.366 -7.703 -5.678 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.263 -8.707 -4.205 1.00 0.00 C ATOM 0 H THR A 68 1.857 -6.061 -3.287 1.00 0.00 H new ATOM 0 HA THR A 68 -0.976 -5.978 -4.101 1.00 0.00 H new ATOM 0 HB THR A 68 0.813 -8.422 -3.791 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.477 -8.578 -6.106 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.115 -9.669 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.512 -8.869 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.078 -8.172 -4.693 1.00 0.00 H new ATOM 996 N VAL A 69 -1.666 -6.241 -1.735 1.00 0.00 N ATOM 997 CA VAL A 69 -2.111 -6.385 -0.354 1.00 0.00 C ATOM 998 C VAL A 69 -2.758 -7.746 -0.125 1.00 0.00 C ATOM 999 O VAL A 69 -3.346 -8.327 -1.037 1.00 0.00 O ATOM 1000 CB VAL A 69 -3.114 -5.281 0.030 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.452 -5.359 1.511 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.559 -3.910 -0.327 1.00 0.00 C ATOM 0 H VAL A 69 -2.316 -5.736 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.226 -6.296 0.275 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.032 -5.435 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.162 -4.571 1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.894 -6.331 1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.543 -5.231 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.280 -3.142 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.626 -3.744 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.372 -3.861 -1.400 1.00 0.00 H new ATOM 1012 N SER A 70 -2.646 -8.250 1.100 1.00 0.00 N ATOM 1013 CA SER A 70 -3.217 -9.546 1.449 1.00 0.00 C ATOM 1014 C SER A 70 -3.581 -9.598 2.930 1.00 0.00 C ATOM 1015 O SER A 70 -3.330 -8.651 3.675 1.00 0.00 O ATOM 1016 CB SER A 70 -2.233 -10.668 1.114 1.00 0.00 C ATOM 1017 OG SER A 70 -1.036 -10.536 1.860 1.00 0.00 O ATOM 0 H SER A 70 -2.165 -7.781 1.867 1.00 0.00 H new ATOM 0 HA SER A 70 -4.126 -9.684 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.692 -11.634 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.005 -10.650 0.048 1.00 0.00 H new ATOM 0 HG SER A 70 -0.424 -11.266 1.629 1.00 0.00 H new ATOM 1023 N SER A 71 -4.173 -10.712 3.348 1.00 0.00 N ATOM 1024 CA SER A 71 -4.575 -10.887 4.739 1.00 0.00 C ATOM 1025 C SER A 71 -5.743 -9.969 5.087 1.00 0.00 C ATOM 1026 O SER A 71 -5.794 -9.397 6.177 1.00 0.00 O ATOM 1027 CB SER A 71 -3.395 -10.607 5.672 1.00 0.00 C ATOM 1028 OG SER A 71 -3.643 -11.113 6.973 1.00 0.00 O ATOM 0 H SER A 71 -4.385 -11.506 2.744 1.00 0.00 H new ATOM 0 HA SER A 71 -4.896 -11.920 4.871 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.491 -11.062 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.215 -9.533 5.724 1.00 0.00 H new ATOM 0 HG SER A 71 -4.470 -10.722 7.324 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.678 -9.833 4.154 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.847 -8.984 4.360 1.00 0.00 C ATOM 1036 C LEU A 72 -9.130 -9.809 4.336 1.00 0.00 C ATOM 1037 O LEU A 72 -9.098 -11.020 4.110 1.00 0.00 O ATOM 1038 CB LEU A 72 -7.907 -7.895 3.288 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.560 -7.374 2.785 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.750 -6.513 1.546 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -5.850 -6.589 3.878 1.00 0.00 C ATOM 0 H LEU A 72 -6.650 -10.299 3.247 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.757 -8.515 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.465 -8.282 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.474 -7.053 3.685 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.939 -8.229 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.781 -6.151 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.216 -7.106 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.389 -5.664 1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.893 -6.226 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.467 -5.742 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.680 -7.236 4.739 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.257 -9.146 4.568 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.553 -9.817 4.570 1.00 0.00 C ATOM 1055 C LEU A 73 -12.357 -9.452 3.326 1.00 0.00 C ATOM 1056 O LEU A 73 -12.428 -8.292 2.921 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.340 -9.445 5.828 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.656 -9.748 7.162 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.401 -9.081 8.307 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.565 -11.250 7.385 1.00 0.00 C ATOM 0 H LEU A 73 -10.300 -8.145 4.757 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.378 -10.893 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.563 -8.379 5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.294 -9.971 5.804 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.644 -9.344 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.900 -9.308 9.248 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.414 -8.002 8.153 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.424 -9.454 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.076 -11.447 8.339 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.568 -11.678 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.986 -11.703 6.580 1.00 0.00 H new ATOM 1072 N PRO A 74 -12.980 -10.465 2.706 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.794 -10.276 1.502 1.00 0.00 C ATOM 1074 C PRO A 74 -15.090 -9.526 1.789 1.00 0.00 C ATOM 1075 O PRO A 74 -15.544 -9.467 2.931 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.093 -11.706 1.047 1.00 0.00 C ATOM 1077 CG PRO A 74 -13.998 -12.526 2.288 1.00 0.00 C ATOM 1078 CD PRO A 74 -12.939 -11.874 3.134 1.00 0.00 C ATOM 0 HA PRO A 74 -13.279 -9.675 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.084 -11.780 0.599 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.377 -12.040 0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.954 -12.554 2.812 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.732 -13.557 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.154 -11.977 4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.958 -12.318 2.963 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.681 -8.953 0.745 1.00 0.00 N ATOM 1087 CA GLY A 75 -16.920 -8.214 0.907 1.00 0.00 C ATOM 1088 C GLY A 75 -16.826 -7.156 1.988 1.00 0.00 C ATOM 1089 O GLY A 75 -17.817 -6.843 2.649 1.00 0.00 O ATOM 0 H GLY A 75 -15.324 -8.987 -0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.183 -7.740 -0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.724 -8.908 1.151 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.632 -6.604 2.172 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.411 -5.575 3.181 1.00 0.00 C ATOM 1095 C LYS A 76 -14.529 -4.457 2.635 1.00 0.00 C ATOM 1096 O LYS A 76 -13.608 -4.704 1.854 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.767 -6.184 4.429 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.653 -7.194 5.139 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.633 -6.512 6.078 1.00 0.00 C ATOM 1100 CE LYS A 76 -16.044 -6.340 7.470 1.00 0.00 C ATOM 1101 NZ LYS A 76 -17.102 -6.262 8.515 1.00 0.00 N ATOM 0 H LYS A 76 -14.801 -6.852 1.635 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.379 -5.152 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.833 -6.669 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.513 -5.384 5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.202 -7.780 4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.033 -7.891 5.702 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.907 -5.537 5.675 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.549 -7.100 6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.379 -7.175 7.688 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.438 -5.434 7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.660 -6.145 9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.722 -5.450 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.664 -7.137 8.506 1.00 0.00 H new ATOM 1115 N THR A 77 -14.813 -3.227 3.051 1.00 0.00 N ATOM 1116 CA THR A 77 -14.046 -2.072 2.604 1.00 0.00 C ATOM 1117 C THR A 77 -12.810 -1.863 3.472 1.00 0.00 C ATOM 1118 O THR A 77 -12.774 -2.284 4.629 1.00 0.00 O ATOM 1119 CB THR A 77 -14.897 -0.789 2.625 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.134 -1.010 1.937 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.150 0.367 1.977 1.00 0.00 C ATOM 0 H THR A 77 -15.570 -3.005 3.698 1.00 0.00 H new ATOM 0 HA THR A 77 -13.737 -2.276 1.579 1.00 0.00 H new ATOM 0 HB THR A 77 -15.101 -0.532 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.670 -0.190 1.956 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.771 1.262 2.004 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.224 0.552 2.521 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.919 0.116 0.942 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.800 -1.210 2.909 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.562 -0.947 3.632 1.00 0.00 C ATOM 1131 C TYR A 78 -9.961 0.392 3.213 1.00 0.00 C ATOM 1132 O TYR A 78 -9.784 0.661 2.025 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.554 -2.071 3.386 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.825 -3.316 4.199 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.906 -4.139 3.907 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -8.999 -3.671 5.259 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.158 -5.277 4.648 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.242 -4.808 6.004 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.323 -5.608 5.696 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.570 -6.742 6.435 1.00 0.00 O ATOM 0 H TYR A 78 -11.814 -0.853 1.954 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.794 -0.904 4.696 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.562 -2.330 2.327 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.553 -1.707 3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.560 -3.884 3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.152 -3.047 5.504 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.004 -5.904 4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.589 -5.070 6.824 1.00 0.00 H new ATOM 0 HH TYR A 78 -9.889 -6.832 7.134 1.00 0.00 H new ATOM 1150 N SER A 79 -9.647 1.226 4.199 1.00 0.00 N ATOM 1151 CA SER A 79 -9.069 2.538 3.935 1.00 0.00 C ATOM 1152 C SER A 79 -7.555 2.442 3.773 1.00 0.00 C ATOM 1153 O SER A 79 -6.828 2.213 4.740 1.00 0.00 O ATOM 1154 CB SER A 79 -9.411 3.507 5.068 1.00 0.00 C ATOM 1155 OG SER A 79 -8.490 3.385 6.139 1.00 0.00 O ATOM 0 H SER A 79 -9.783 1.016 5.188 1.00 0.00 H new ATOM 0 HA SER A 79 -9.494 2.914 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.402 4.530 4.691 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.421 3.309 5.428 1.00 0.00 H new ATOM 0 HG SER A 79 -7.575 3.449 5.793 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.085 2.617 2.542 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.658 2.549 2.251 1.00 0.00 C ATOM 1163 C PHE A 80 -5.034 3.941 2.262 1.00 0.00 C ATOM 1164 O PHE A 80 -5.731 4.947 2.128 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.424 1.884 0.893 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.788 0.426 0.869 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.105 0.030 0.702 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.812 -0.547 1.012 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.442 -1.310 0.680 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.143 -1.889 0.991 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.460 -2.271 0.824 1.00 0.00 C ATOM 0 H PHE A 80 -7.672 2.807 1.730 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.182 1.950 3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.006 2.408 0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.374 1.993 0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.877 0.777 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.781 -0.254 1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.473 -1.606 0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.373 -2.638 1.105 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.721 -3.319 0.806 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.715 3.990 2.424 1.00 0.00 N ATOM 1182 CA ARG A 81 -2.996 5.258 2.455 1.00 0.00 C ATOM 1183 C ARG A 81 -1.637 5.129 1.775 1.00 0.00 C ATOM 1184 O ARG A 81 -1.191 4.025 1.459 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.814 5.730 3.899 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.115 6.120 4.581 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.431 7.593 4.379 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.870 8.424 5.441 1.00 0.00 N ATOM 1189 CZ ARG A 81 -4.287 9.657 5.707 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -5.264 10.199 4.992 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -3.727 10.351 6.690 1.00 0.00 N ATOM 0 H ARG A 81 -3.123 3.167 2.536 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.586 5.995 1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.336 4.937 4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.137 6.584 3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.930 5.514 4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.047 5.904 5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.037 7.920 3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.512 7.730 4.344 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.117 8.037 6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.697 9.669 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.582 11.146 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.976 9.938 7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.048 11.298 6.893 1.00 0.00 H new ATOM 1205 N LEU A 82 -0.982 6.263 1.553 1.00 0.00 N ATOM 1206 CA LEU A 82 0.328 6.277 0.910 1.00 0.00 C ATOM 1207 C LEU A 82 1.170 7.443 1.417 1.00 0.00 C ATOM 1208 O LEU A 82 0.652 8.528 1.681 1.00 0.00 O ATOM 1209 CB LEU A 82 0.171 6.369 -0.609 1.00 0.00 C ATOM 1210 CG LEU A 82 1.466 6.505 -1.411 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.261 5.209 -1.364 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.164 6.895 -2.850 1.00 0.00 C ATOM 0 H LEU A 82 -1.336 7.185 1.809 1.00 0.00 H new ATOM 0 HA LEU A 82 0.839 5.347 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.355 5.479 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.466 7.224 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 82 2.068 7.294 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.179 5.324 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.509 4.972 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.665 4.401 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.097 6.987 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.541 6.129 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.637 7.849 -2.865 1.00 0.00 H new ATOM 1224 N ARG A 83 2.473 7.212 1.548 1.00 0.00 N ATOM 1225 CA ARG A 83 3.388 8.243 2.022 1.00 0.00 C ATOM 1226 C ARG A 83 4.810 7.972 1.540 1.00 0.00 C ATOM 1227 O ARG A 83 5.282 6.836 1.575 1.00 0.00 O ATOM 1228 CB ARG A 83 3.361 8.315 3.550 1.00 0.00 C ATOM 1229 CG ARG A 83 4.111 7.178 4.226 1.00 0.00 C ATOM 1230 CD ARG A 83 4.250 7.415 5.722 1.00 0.00 C ATOM 1231 NE ARG A 83 4.700 6.217 6.426 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.236 6.236 7.641 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.388 7.386 8.284 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.621 5.104 8.216 1.00 0.00 N ATOM 0 H ARG A 83 2.918 6.320 1.332 1.00 0.00 H new ATOM 0 HA ARG A 83 3.061 9.199 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.793 9.264 3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.325 8.307 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.585 6.239 4.052 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.100 7.076 3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.958 8.225 5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.291 7.736 6.129 1.00 0.00 H new ATOM 0 HE ARG A 83 4.597 5.316 5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.093 8.258 7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.800 7.398 9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.506 4.218 7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.033 5.120 9.149 1.00 0.00 H new ATOM 1248 N ALA A 84 5.486 9.023 1.088 1.00 0.00 N ATOM 1249 CA ALA A 84 6.854 8.899 0.600 1.00 0.00 C ATOM 1250 C ALA A 84 7.859 9.309 1.671 1.00 0.00 C ATOM 1251 O ALA A 84 7.522 10.034 2.607 1.00 0.00 O ATOM 1252 CB ALA A 84 7.045 9.738 -0.654 1.00 0.00 C ATOM 0 H ALA A 84 5.109 9.970 1.050 1.00 0.00 H new ATOM 0 HA ALA A 84 7.032 7.852 0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.071 9.636 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.359 9.396 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.842 10.784 -0.426 1.00 0.00 H new ATOM 1258 N ALA A 85 9.094 8.840 1.528 1.00 0.00 N ATOM 1259 CA ALA A 85 10.148 9.159 2.483 1.00 0.00 C ATOM 1260 C ALA A 85 11.442 9.532 1.768 1.00 0.00 C ATOM 1261 O ALA A 85 11.865 8.851 0.835 1.00 0.00 O ATOM 1262 CB ALA A 85 10.382 7.986 3.423 1.00 0.00 C ATOM 0 H ALA A 85 9.389 8.238 0.760 1.00 0.00 H new ATOM 0 HA ALA A 85 9.825 10.020 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.172 8.239 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.463 7.767 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.679 7.111 2.845 1.00 0.00 H new ATOM 1268 N ASN A 86 12.066 10.619 2.211 1.00 0.00 N ATOM 1269 CA ASN A 86 13.311 11.084 1.612 1.00 0.00 C ATOM 1270 C ASN A 86 14.393 11.259 2.673 1.00 0.00 C ATOM 1271 O ASN A 86 14.191 10.930 3.842 1.00 0.00 O ATOM 1272 CB ASN A 86 13.085 12.405 0.874 1.00 0.00 C ATOM 1273 CG ASN A 86 12.358 13.426 1.727 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.229 13.259 2.940 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.878 14.491 1.095 1.00 0.00 N ATOM 0 H ASN A 86 11.729 11.194 2.983 1.00 0.00 H new ATOM 0 HA ASN A 86 13.645 10.331 0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.047 12.814 0.563 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.510 12.218 -0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.379 15.212 1.617 1.00 0.00 H new ATOM 0 HD22 ASN A 86 12.008 14.588 0.088 1.00 0.00 H new ATOM 1282 N LYS A 87 15.542 11.781 2.258 1.00 0.00 N ATOM 1283 CA LYS A 87 16.657 12.004 3.172 1.00 0.00 C ATOM 1284 C LYS A 87 16.214 12.820 4.381 1.00 0.00 C ATOM 1285 O LYS A 87 16.918 12.886 5.389 1.00 0.00 O ATOM 1286 CB LYS A 87 17.800 12.720 2.450 1.00 0.00 C ATOM 1287 CG LYS A 87 17.380 14.022 1.788 1.00 0.00 C ATOM 1288 CD LYS A 87 18.500 14.604 0.942 1.00 0.00 C ATOM 1289 CE LYS A 87 18.431 16.122 0.894 1.00 0.00 C ATOM 1290 NZ LYS A 87 18.959 16.661 -0.390 1.00 0.00 N ATOM 0 H LYS A 87 15.726 12.058 1.294 1.00 0.00 H new ATOM 0 HA LYS A 87 17.008 11.033 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.597 12.926 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.214 12.054 1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.504 13.848 1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.088 14.742 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.463 14.295 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.439 14.204 -0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.398 16.443 1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.002 16.538 1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.895 17.699 -0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 19.953 16.376 -0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.399 16.284 -1.181 1.00 0.00 H new ATOM 1304 N MET A 88 15.043 13.440 4.275 1.00 0.00 N ATOM 1305 CA MET A 88 14.506 14.250 5.362 1.00 0.00 C ATOM 1306 C MET A 88 13.690 13.395 6.325 1.00 0.00 C ATOM 1307 O MET A 88 13.857 13.481 7.541 1.00 0.00 O ATOM 1308 CB MET A 88 13.638 15.380 4.804 1.00 0.00 C ATOM 1309 CG MET A 88 14.399 16.345 3.909 1.00 0.00 C ATOM 1310 SD MET A 88 15.662 17.271 4.802 1.00 0.00 S ATOM 1311 CE MET A 88 17.131 16.343 4.369 1.00 0.00 C ATOM 0 H MET A 88 14.448 13.397 3.448 1.00 0.00 H new ATOM 0 HA MET A 88 15.345 14.682 5.908 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.812 14.948 4.239 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.201 15.935 5.634 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.868 15.789 3.097 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.696 17.043 3.453 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.968 16.680 4.981 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.956 15.282 4.546 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.365 16.502 3.316 1.00 0.00 H new ATOM 1321 N GLY A 89 12.806 12.569 5.774 1.00 0.00 N ATOM 1322 CA GLY A 89 11.977 11.710 6.599 1.00 0.00 C ATOM 1323 C GLY A 89 10.688 11.311 5.909 1.00 0.00 C ATOM 1324 O GLY A 89 10.533 11.510 4.703 1.00 0.00 O ATOM 0 H GLY A 89 12.649 12.479 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.538 10.813 6.862 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.742 12.224 7.531 1.00 0.00 H new ATOM 1328 N PHE A 90 9.759 10.745 6.673 1.00 0.00 N ATOM 1329 CA PHE A 90 8.478 10.314 6.127 1.00 0.00 C ATOM 1330 C PHE A 90 7.442 11.430 6.226 1.00 0.00 C ATOM 1331 O PHE A 90 7.252 12.023 7.287 1.00 0.00 O ATOM 1332 CB PHE A 90 7.977 9.071 6.864 1.00 0.00 C ATOM 1333 CG PHE A 90 8.477 7.783 6.275 1.00 0.00 C ATOM 1334 CD1 PHE A 90 9.691 7.248 6.674 1.00 0.00 C ATOM 1335 CD2 PHE A 90 7.731 7.106 5.322 1.00 0.00 C ATOM 1336 CE1 PHE A 90 10.153 6.063 6.133 1.00 0.00 C ATOM 1337 CE2 PHE A 90 8.188 5.921 4.778 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.400 5.398 5.184 1.00 0.00 C ATOM 0 H PHE A 90 9.870 10.574 7.672 1.00 0.00 H new ATOM 0 HA PHE A 90 8.624 10.069 5.075 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.286 9.128 7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.887 9.067 6.854 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.283 7.763 7.416 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.782 7.510 5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.102 5.657 6.452 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.598 5.404 4.036 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.759 4.471 4.761 1.00 0.00 H new ATOM 1348 N GLY A 91 6.774 11.711 5.111 1.00 0.00 N ATOM 1349 CA GLY A 91 5.766 12.754 5.093 1.00 0.00 C ATOM 1350 C GLY A 91 4.388 12.237 5.457 1.00 0.00 C ATOM 1351 O GLY A 91 4.225 11.095 5.888 1.00 0.00 O ATOM 0 H GLY A 91 6.913 11.235 4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.051 13.542 5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.731 13.204 4.101 1.00 0.00 H new ATOM 1355 N PRO A 92 3.367 13.089 5.284 1.00 0.00 N ATOM 1356 CA PRO A 92 1.979 12.733 5.593 1.00 0.00 C ATOM 1357 C PRO A 92 1.413 11.705 4.619 1.00 0.00 C ATOM 1358 O PRO A 92 1.902 11.562 3.498 1.00 0.00 O ATOM 1359 CB PRO A 92 1.233 14.063 5.458 1.00 0.00 C ATOM 1360 CG PRO A 92 2.063 14.869 4.518 1.00 0.00 C ATOM 1361 CD PRO A 92 3.489 14.465 4.774 1.00 0.00 C ATOM 0 HA PRO A 92 1.886 12.274 6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.226 13.914 5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.132 14.560 6.423 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.782 14.674 3.483 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.923 15.936 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.088 14.505 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.969 15.122 5.500 1.00 0.00 H new ATOM 1369 N PHE A 93 0.381 10.990 5.055 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.251 9.973 4.221 1.00 0.00 C ATOM 1371 C PHE A 93 -1.232 10.608 3.240 1.00 0.00 C ATOM 1372 O PHE A 93 -1.739 11.705 3.474 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.976 8.947 5.093 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.105 7.799 5.517 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.332 6.865 4.592 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.275 7.653 6.842 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.134 5.807 4.979 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.077 6.598 7.234 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.506 5.673 6.302 1.00 0.00 C ATOM 0 H PHE A 93 -0.035 11.096 5.980 1.00 0.00 H new ATOM 0 HA PHE A 93 0.530 9.468 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.364 9.446 5.981 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.835 8.558 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.043 6.964 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.059 8.371 7.576 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.469 5.087 4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.368 6.497 8.269 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.131 4.847 6.607 1.00 0.00 H new ATOM 1389 N SER A 94 -1.494 9.910 2.140 1.00 0.00 N ATOM 1390 CA SER A 94 -2.411 10.406 1.120 1.00 0.00 C ATOM 1391 C SER A 94 -3.855 10.338 1.608 1.00 0.00 C ATOM 1392 O SER A 94 -4.115 10.001 2.763 1.00 0.00 O ATOM 1393 CB SER A 94 -2.258 9.597 -0.170 1.00 0.00 C ATOM 1394 OG SER A 94 -2.807 8.299 -0.026 1.00 0.00 O ATOM 0 H SER A 94 -1.084 8.999 1.932 1.00 0.00 H new ATOM 0 HA SER A 94 -2.163 11.448 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.754 10.116 -0.990 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.203 9.522 -0.433 1.00 0.00 H new ATOM 0 HG SER A 94 -3.777 8.337 -0.161 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.789 10.660 0.719 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.207 10.637 1.060 1.00 0.00 C ATOM 1402 C GLU A 95 -6.708 9.203 1.206 1.00 0.00 C ATOM 1403 O GLU A 95 -6.490 8.364 0.331 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.023 11.367 -0.008 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.677 12.841 -0.137 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.492 13.541 -1.207 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -7.592 12.997 -2.327 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -8.030 14.632 -0.926 1.00 0.00 O ATOM 0 H GLU A 95 -4.590 10.940 -0.242 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.333 11.147 2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.865 10.880 -0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.083 11.271 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.842 13.334 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.617 12.942 -0.369 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.380 8.928 2.319 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.913 7.596 2.582 1.00 0.00 C ATOM 1417 C LYS A 96 -8.818 7.138 1.443 1.00 0.00 C ATOM 1418 O LYS A 96 -9.912 7.672 1.254 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.690 7.587 3.900 1.00 0.00 C ATOM 1420 CG LYS A 96 -7.814 7.791 5.124 1.00 0.00 C ATOM 1421 CD LYS A 96 -8.644 7.898 6.392 1.00 0.00 C ATOM 1422 CE LYS A 96 -9.273 9.276 6.532 1.00 0.00 C ATOM 1423 NZ LYS A 96 -9.696 9.553 7.932 1.00 0.00 N ATOM 0 H LYS A 96 -7.569 9.610 3.054 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.074 6.904 2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.447 8.370 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.217 6.638 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.115 6.960 5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.219 8.696 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.426 7.139 6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.015 7.694 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.560 10.035 6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -10.136 9.350 5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.120 10.501 7.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -10.396 8.844 8.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.868 9.508 8.560 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.357 6.147 0.688 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.126 5.617 -0.432 1.00 0.00 C ATOM 1439 C CYS A 97 -9.842 4.329 -0.038 1.00 0.00 C ATOM 1440 O CYS A 97 -9.205 3.316 0.251 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.210 5.360 -1.629 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.054 4.661 -3.068 1.00 0.00 S ATOM 0 H CYS A 97 -7.454 5.694 0.831 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.876 6.358 -0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.737 6.298 -1.919 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.413 4.682 -1.324 1.00 0.00 H new ATOM 0 HG CYS A 97 -9.716 3.601 -2.710 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.170 4.377 -0.028 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.974 3.215 0.331 1.00 0.00 C ATOM 1450 C ASP A 98 -12.032 2.217 -0.822 1.00 0.00 C ATOM 1451 O ASP A 98 -12.411 2.568 -1.940 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.388 3.647 0.721 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.333 3.671 -0.464 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.878 2.601 -0.810 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -14.528 4.758 -1.047 1.00 0.00 O ATOM 0 H ASP A 98 -11.712 5.208 -0.264 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.504 2.728 1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.777 2.966 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.350 4.638 1.172 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.655 0.975 -0.542 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.665 -0.073 -1.556 1.00 0.00 C ATOM 1462 C ILE A 99 -12.394 -1.315 -1.056 1.00 0.00 C ATOM 1463 O ILE A 99 -12.013 -1.909 -0.046 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.236 -0.464 -1.975 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.500 0.747 -2.552 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.273 -1.599 -2.987 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.121 0.422 -3.080 1.00 0.00 C ATOM 0 H ILE A 99 -11.339 0.669 0.378 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.191 0.330 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.696 -0.807 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.097 1.174 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.413 1.511 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.255 -1.864 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.763 -2.466 -2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.827 -1.281 -3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.659 1.328 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.507 0.023 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.201 -0.319 -3.875 1.00 0.00 H new ATOM 1479 N THR A 100 -13.446 -1.705 -1.770 1.00 0.00 N ATOM 1480 CA THR A 100 -14.228 -2.877 -1.400 1.00 0.00 C ATOM 1481 C THR A 100 -13.667 -4.140 -2.044 1.00 0.00 C ATOM 1482 O THR A 100 -13.562 -4.232 -3.268 1.00 0.00 O ATOM 1483 CB THR A 100 -15.705 -2.719 -1.809 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.152 -1.389 -1.525 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.581 -3.723 -1.075 1.00 0.00 C ATOM 0 H THR A 100 -13.775 -1.226 -2.608 1.00 0.00 H new ATOM 0 HA THR A 100 -14.166 -2.968 -0.316 1.00 0.00 H new ATOM 0 HB THR A 100 -15.785 -2.907 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.091 -1.296 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.619 -3.592 -1.380 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.256 -4.735 -1.318 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.496 -3.563 -0.000 1.00 0.00 H new ATOM 1493 N THR A 101 -13.306 -5.113 -1.213 1.00 0.00 N ATOM 1494 CA THR A 101 -12.755 -6.370 -1.702 1.00 0.00 C ATOM 1495 C THR A 101 -13.807 -7.176 -2.454 1.00 0.00 C ATOM 1496 O THR A 101 -14.953 -6.749 -2.586 1.00 0.00 O ATOM 1497 CB THR A 101 -12.197 -7.225 -0.548 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.209 -7.429 0.444 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.987 -6.556 0.085 1.00 0.00 C ATOM 0 H THR A 101 -13.386 -5.054 -0.198 1.00 0.00 H new ATOM 0 HA THR A 101 -11.942 -6.116 -2.382 1.00 0.00 H new ATOM 0 HB THR A 101 -11.888 -8.188 -0.955 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.787 -7.628 1.306 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.611 -7.178 0.897 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.207 -6.429 -0.666 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.275 -5.581 0.478 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.409 -8.346 -2.946 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.320 -9.213 -3.683 1.00 0.00 C ATOM 1509 C ALA A 102 -15.254 -9.959 -2.737 1.00 0.00 C ATOM 1510 O ALA A 102 -14.906 -10.268 -1.597 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.535 -10.197 -4.538 1.00 0.00 C ATOM 0 H ALA A 102 -12.463 -8.714 -2.847 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.930 -8.588 -4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.227 -10.838 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.914 -9.649 -5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.900 -10.810 -3.898 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.471 -10.255 -3.218 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.481 -10.969 -2.430 1.00 0.00 C ATOM 1519 C PRO A 103 -17.109 -12.429 -2.197 1.00 0.00 C ATOM 1520 O PRO A 103 -17.875 -13.188 -1.604 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.740 -10.869 -3.294 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.233 -10.700 -4.685 1.00 0.00 C ATOM 1523 CD PRO A 103 -16.954 -9.918 -4.567 1.00 0.00 C ATOM 0 HA PRO A 103 -17.596 -10.543 -1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.355 -11.764 -3.203 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.360 -10.025 -2.993 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.057 -11.667 -5.157 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.958 -10.171 -5.303 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.235 -10.205 -5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.126 -8.847 -4.676 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.928 -12.817 -2.669 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.476 -14.186 -2.502 1.00 0.00 C ATOM 1533 C GLY A 104 -15.972 -15.100 -3.605 1.00 0.00 C ATOM 1534 O GLY A 104 -16.998 -15.763 -3.455 1.00 0.00 O ATOM 0 H GLY A 104 -15.276 -12.208 -3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.386 -14.205 -2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.820 -14.564 -1.539 1.00 0.00 H new