USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 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 17 HIS : no HD1:sc= -2.21 K(o=-2.4,f=0.015) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.215 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.721 K(o=-1.3,f=-2.5) USER MOD Set 2.2: A 62 CYS SG : rot 120:sc= -2.02 USER MOD Set 3.1: A 30 CYS SG : rot -149:sc= -1.21 USER MOD Set 3.2: A 79 CYS SG : rot 111:sc= 1.65 USER MOD Set 4.1: A 25 THR OG1 : rot -95:sc= 0.236 USER MOD Set 4.2: A 67 CYS SG : rot 180:sc= 0.28 USER MOD Set 5.1: A 10 HIS : no HD1:sc= -2.86 X(o=-2.9,f=-3.3!) USER MOD Set 5.2: A 33 SER OG : rot -160:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -58:sc= 0.129 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.2!) USER MOD Single : A 20 SER OG : rot -170:sc= -0.951 USER MOD Single : A 27 THR OG1 : rot -14:sc= -0.108 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= -0.0407 (180deg=-0.0407) USER MOD Single : A 46 SER OG : rot 112:sc= 0.355 USER MOD Single : A 53 HIS : no HD1:sc= -0.71 X(o=-0.71,f=-0.87) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0148 K(o=-0.015,f=-1.5!) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.41 USER MOD Single : A 78 SER OG : rot 130:sc= 0 USER MOD Single : A 81 CYS SG : rot -145:sc= 0.371 USER MOD Single : A 86 THR OG1 : rot -100:sc= -0.353 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.695 31.773 0.575 1.00 0.00 N ATOM 2 CA GLY A 1 10.651 32.758 1.640 1.00 0.00 C ATOM 3 C GLY A 1 9.572 32.459 2.662 1.00 0.00 C ATOM 4 O GLY A 1 8.405 32.289 2.311 1.00 0.00 O ATOM 0 H1 GLY A 1 11.448 32.022 -0.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.887 30.834 0.978 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.781 31.756 0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.620 32.793 2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.477 33.745 1.211 1.00 0.00 H new ATOM 8 N SER A 2 9.963 32.392 3.931 1.00 0.00 N ATOM 9 CA SER A 2 9.022 32.105 5.007 1.00 0.00 C ATOM 10 C SER A 2 8.242 30.826 4.720 1.00 0.00 C ATOM 11 O SER A 2 7.033 30.760 4.939 1.00 0.00 O ATOM 12 CB SER A 2 8.054 33.275 5.192 1.00 0.00 C ATOM 13 OG SER A 2 7.367 33.178 6.427 1.00 0.00 O ATOM 0 H SER A 2 10.925 32.533 4.239 1.00 0.00 H new ATOM 0 HA SER A 2 9.591 31.964 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.603 34.216 5.151 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.335 33.289 4.373 1.00 0.00 H new ATOM 0 HG SER A 2 6.879 32.329 6.464 1.00 0.00 H new ATOM 19 N SER A 3 8.944 29.810 4.227 1.00 0.00 N ATOM 20 CA SER A 3 8.318 28.533 3.906 1.00 0.00 C ATOM 21 C SER A 3 7.908 27.794 5.176 1.00 0.00 C ATOM 22 O SER A 3 8.318 28.156 6.278 1.00 0.00 O ATOM 23 CB SER A 3 9.273 27.666 3.083 1.00 0.00 C ATOM 24 OG SER A 3 10.366 27.224 3.870 1.00 0.00 O ATOM 0 H SER A 3 9.946 29.847 4.041 1.00 0.00 H new ATOM 0 HA SER A 3 7.422 28.733 3.318 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.736 26.805 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.642 28.235 2.229 1.00 0.00 H new ATOM 0 HG SER A 3 10.961 26.671 3.322 1.00 0.00 H new ATOM 30 N GLY A 4 7.094 26.755 5.012 1.00 0.00 N ATOM 31 CA GLY A 4 6.641 25.981 6.153 1.00 0.00 C ATOM 32 C GLY A 4 5.302 25.314 5.906 1.00 0.00 C ATOM 33 O GLY A 4 5.234 24.104 5.691 1.00 0.00 O ATOM 0 H GLY A 4 6.741 26.436 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.384 25.220 6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.564 26.633 7.023 1.00 0.00 H new ATOM 37 N SER A 5 4.234 26.105 5.939 1.00 0.00 N ATOM 38 CA SER A 5 2.890 25.584 5.723 1.00 0.00 C ATOM 39 C SER A 5 2.247 26.229 4.499 1.00 0.00 C ATOM 40 O SER A 5 1.509 27.207 4.615 1.00 0.00 O ATOM 41 CB SER A 5 2.020 25.827 6.958 1.00 0.00 C ATOM 42 OG SER A 5 2.404 24.980 8.026 1.00 0.00 O ATOM 0 H SER A 5 4.274 27.109 6.113 1.00 0.00 H new ATOM 0 HA SER A 5 2.968 24.511 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.105 26.869 7.267 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.973 25.652 6.709 1.00 0.00 H new ATOM 0 HG SER A 5 1.834 25.156 8.804 1.00 0.00 H new ATOM 48 N SER A 6 2.533 25.673 3.326 1.00 0.00 N ATOM 49 CA SER A 6 1.987 26.196 2.079 1.00 0.00 C ATOM 50 C SER A 6 1.288 25.095 1.288 1.00 0.00 C ATOM 51 O SER A 6 0.092 25.178 1.011 1.00 0.00 O ATOM 52 CB SER A 6 3.099 26.820 1.232 1.00 0.00 C ATOM 53 OG SER A 6 2.620 27.180 -0.052 1.00 0.00 O ATOM 0 H SER A 6 3.139 24.861 3.213 1.00 0.00 H new ATOM 0 HA SER A 6 1.254 26.964 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.494 27.702 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.924 26.114 1.131 1.00 0.00 H new ATOM 0 HG SER A 6 3.348 27.578 -0.573 1.00 0.00 H new ATOM 59 N GLY A 7 2.044 24.062 0.928 1.00 0.00 N ATOM 60 CA GLY A 7 1.480 22.958 0.173 1.00 0.00 C ATOM 61 C GLY A 7 1.345 21.697 1.003 1.00 0.00 C ATOM 62 O GLY A 7 1.647 21.678 2.196 1.00 0.00 O ATOM 0 H GLY A 7 3.036 23.970 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.500 23.245 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.111 22.754 -0.692 1.00 0.00 H new ATOM 66 N PRO A 8 0.878 20.612 0.366 1.00 0.00 N ATOM 67 CA PRO A 8 0.692 19.321 1.035 1.00 0.00 C ATOM 68 C PRO A 8 2.017 18.659 1.398 1.00 0.00 C ATOM 69 O PRO A 8 3.087 19.214 1.151 1.00 0.00 O ATOM 70 CB PRO A 8 -0.056 18.486 -0.008 1.00 0.00 C ATOM 71 CG PRO A 8 0.317 19.093 -1.316 1.00 0.00 C ATOM 72 CD PRO A 8 0.498 20.562 -1.055 1.00 0.00 C ATOM 0 HA PRO A 8 0.159 19.425 1.980 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.237 17.437 0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.133 18.523 0.153 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.234 18.650 -1.704 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.460 18.922 -2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.271 20.991 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.419 21.120 -1.246 1.00 0.00 H new ATOM 80 N ALA A 9 1.937 17.470 1.985 1.00 0.00 N ATOM 81 CA ALA A 9 3.130 16.731 2.380 1.00 0.00 C ATOM 82 C ALA A 9 3.670 15.901 1.220 1.00 0.00 C ATOM 83 O ALA A 9 2.959 15.068 0.656 1.00 0.00 O ATOM 84 CB ALA A 9 2.828 15.840 3.575 1.00 0.00 C ATOM 0 H ALA A 9 1.058 16.997 2.198 1.00 0.00 H new ATOM 0 HA ALA A 9 3.897 17.452 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.728 15.294 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.497 16.454 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.042 15.132 3.312 1.00 0.00 H new ATOM 90 N HIS A 10 4.931 16.132 0.869 1.00 0.00 N ATOM 91 CA HIS A 10 5.566 15.405 -0.224 1.00 0.00 C ATOM 92 C HIS A 10 6.142 14.080 0.267 1.00 0.00 C ATOM 93 O HIS A 10 6.686 13.999 1.368 1.00 0.00 O ATOM 94 CB HIS A 10 6.670 16.252 -0.856 1.00 0.00 C ATOM 95 CG HIS A 10 7.624 16.833 0.143 1.00 0.00 C ATOM 96 ND1 HIS A 10 7.440 18.065 0.732 1.00 0.00 N ATOM 97 CD2 HIS A 10 8.776 16.340 0.657 1.00 0.00 C ATOM 98 CE1 HIS A 10 8.437 18.307 1.563 1.00 0.00 C ATOM 99 NE2 HIS A 10 9.262 17.276 1.537 1.00 0.00 N ATOM 0 H HIS A 10 5.533 16.817 1.326 1.00 0.00 H new ATOM 0 HA HIS A 10 4.806 15.194 -0.976 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.227 15.639 -1.564 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.214 17.062 -1.425 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.228 15.388 0.419 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.558 19.197 2.162 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.120 17.189 2.082 1.00 0.00 H new ATOM 108 N PHE A 11 6.018 13.045 -0.556 1.00 0.00 N ATOM 109 CA PHE A 11 6.525 11.723 -0.205 1.00 0.00 C ATOM 110 C PHE A 11 8.050 11.723 -0.148 1.00 0.00 C ATOM 111 O PHE A 11 8.720 11.855 -1.173 1.00 0.00 O ATOM 112 CB PHE A 11 6.042 10.682 -1.216 1.00 0.00 C ATOM 113 CG PHE A 11 4.585 10.343 -1.077 1.00 0.00 C ATOM 114 CD1 PHE A 11 4.147 9.520 -0.052 1.00 0.00 C ATOM 115 CD2 PHE A 11 3.654 10.847 -1.971 1.00 0.00 C ATOM 116 CE1 PHE A 11 2.807 9.206 0.079 1.00 0.00 C ATOM 117 CE2 PHE A 11 2.313 10.537 -1.845 1.00 0.00 C ATOM 118 CZ PHE A 11 1.889 9.715 -0.819 1.00 0.00 C ATOM 0 H PHE A 11 5.571 13.096 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 11 6.141 11.465 0.782 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.226 11.053 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.631 9.773 -1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.861 9.119 0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.980 11.489 -2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.478 8.564 0.882 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.597 10.937 -2.548 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.842 9.471 -0.719 1.00 0.00 H new ATOM 128 N ILE A 12 8.592 11.576 1.056 1.00 0.00 N ATOM 129 CA ILE A 12 10.037 11.558 1.247 1.00 0.00 C ATOM 130 C ILE A 12 10.585 10.138 1.162 1.00 0.00 C ATOM 131 O ILE A 12 11.755 9.931 0.843 1.00 0.00 O ATOM 132 CB ILE A 12 10.433 12.170 2.604 1.00 0.00 C ATOM 133 CG1 ILE A 12 9.765 11.404 3.747 1.00 0.00 C ATOM 134 CG2 ILE A 12 10.053 13.642 2.652 1.00 0.00 C ATOM 135 CD1 ILE A 12 10.260 11.811 5.118 1.00 0.00 C ATOM 0 H ILE A 12 8.052 11.468 1.914 1.00 0.00 H new ATOM 0 HA ILE A 12 10.469 12.159 0.447 1.00 0.00 H new ATOM 0 HB ILE A 12 11.514 12.090 2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.687 11.560 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.939 10.337 3.609 1.00 0.00 H new ATOM 0 HG21 ILE A 12 10.339 14.060 3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 12 10.571 14.178 1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.976 13.744 2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.743 11.227 5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.332 11.628 5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.062 12.871 5.277 1.00 0.00 H new ATOM 147 N GLY A 13 9.730 9.161 1.449 1.00 0.00 N ATOM 148 CA GLY A 13 10.147 7.772 1.398 1.00 0.00 C ATOM 149 C GLY A 13 9.289 6.943 0.462 1.00 0.00 C ATOM 150 O GLY A 13 8.510 6.100 0.906 1.00 0.00 O ATOM 0 H GLY A 13 8.756 9.307 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.187 7.720 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.103 7.345 2.400 1.00 0.00 H new ATOM 154 N ARG A 14 9.431 7.184 -0.837 1.00 0.00 N ATOM 155 CA ARG A 14 8.660 6.456 -1.838 1.00 0.00 C ATOM 156 C ARG A 14 8.434 5.011 -1.404 1.00 0.00 C ATOM 157 O ARG A 14 9.265 4.421 -0.712 1.00 0.00 O ATOM 158 CB ARG A 14 9.379 6.487 -3.188 1.00 0.00 C ATOM 159 CG ARG A 14 9.608 7.891 -3.724 1.00 0.00 C ATOM 160 CD ARG A 14 8.416 8.380 -4.531 1.00 0.00 C ATOM 161 NE ARG A 14 8.511 7.994 -5.936 1.00 0.00 N ATOM 162 CZ ARG A 14 9.234 8.656 -6.833 1.00 0.00 C ATOM 163 NH1 ARG A 14 9.922 9.730 -6.472 1.00 0.00 N ATOM 164 NH2 ARG A 14 9.271 8.243 -8.093 1.00 0.00 N ATOM 0 H ARG A 14 10.073 7.878 -1.221 1.00 0.00 H new ATOM 0 HA ARG A 14 7.690 6.944 -1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.341 5.983 -3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.796 5.921 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.791 8.573 -2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.501 7.902 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.499 7.974 -4.105 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.349 9.465 -4.457 1.00 0.00 H new ATOM 0 HE ARG A 14 7.994 7.171 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.897 10.050 -5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.476 10.236 -7.162 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.744 7.416 -8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.826 8.752 -8.780 1.00 0.00 H new ATOM 178 N LEU A 15 7.303 4.446 -1.813 1.00 0.00 N ATOM 179 CA LEU A 15 6.966 3.070 -1.466 1.00 0.00 C ATOM 180 C LEU A 15 8.111 2.124 -1.816 1.00 0.00 C ATOM 181 O LEU A 15 9.175 2.558 -2.257 1.00 0.00 O ATOM 182 CB LEU A 15 5.692 2.637 -2.193 1.00 0.00 C ATOM 183 CG LEU A 15 4.376 3.143 -1.600 1.00 0.00 C ATOM 184 CD1 LEU A 15 3.260 3.061 -2.630 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.014 2.350 -0.353 1.00 0.00 C ATOM 0 H LEU A 15 6.604 4.920 -2.385 1.00 0.00 H new ATOM 0 HA LEU A 15 6.797 3.024 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.755 2.975 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.662 1.548 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 15 4.504 4.188 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.332 3.425 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.517 3.674 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.131 2.025 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.075 2.723 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.904 1.297 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.803 2.461 0.391 1.00 0.00 H new ATOM 197 N ARG A 16 7.884 0.830 -1.619 1.00 0.00 N ATOM 198 CA ARG A 16 8.895 -0.178 -1.915 1.00 0.00 C ATOM 199 C ARG A 16 8.247 -1.487 -2.355 1.00 0.00 C ATOM 200 O ARG A 16 7.474 -2.090 -1.610 1.00 0.00 O ATOM 201 CB ARG A 16 9.778 -0.421 -0.689 1.00 0.00 C ATOM 202 CG ARG A 16 9.001 -0.491 0.616 1.00 0.00 C ATOM 203 CD ARG A 16 8.790 0.892 1.213 1.00 0.00 C ATOM 204 NE ARG A 16 9.877 1.272 2.111 1.00 0.00 N ATOM 205 CZ ARG A 16 10.083 2.516 2.529 1.00 0.00 C ATOM 206 NH1 ARG A 16 9.281 3.494 2.133 1.00 0.00 N ATOM 207 NH2 ARG A 16 11.094 2.784 3.346 1.00 0.00 N ATOM 0 H ARG A 16 7.008 0.454 -1.255 1.00 0.00 H new ATOM 0 HA ARG A 16 9.513 0.194 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.327 -1.353 -0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.517 0.377 -0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.035 -0.964 0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.538 -1.118 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.710 1.625 0.410 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.846 0.912 1.758 1.00 0.00 H new ATOM 0 HE ARG A 16 10.512 0.543 2.435 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.503 3.293 1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.442 4.448 2.456 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.714 2.034 3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.251 3.740 3.666 1.00 0.00 H new ATOM 221 N HIS A 17 8.567 -1.920 -3.571 1.00 0.00 N ATOM 222 CA HIS A 17 8.015 -3.158 -4.111 1.00 0.00 C ATOM 223 C HIS A 17 8.085 -4.279 -3.079 1.00 0.00 C ATOM 224 O HIS A 17 9.155 -4.586 -2.554 1.00 0.00 O ATOM 225 CB HIS A 17 8.768 -3.567 -5.377 1.00 0.00 C ATOM 226 CG HIS A 17 8.657 -2.569 -6.488 1.00 0.00 C ATOM 227 ND1 HIS A 17 8.951 -2.869 -7.802 1.00 0.00 N ATOM 228 CD2 HIS A 17 8.280 -1.269 -6.477 1.00 0.00 C ATOM 229 CE1 HIS A 17 8.761 -1.797 -8.549 1.00 0.00 C ATOM 230 NE2 HIS A 17 8.353 -0.812 -7.770 1.00 0.00 N ATOM 0 H HIS A 17 9.205 -1.433 -4.200 1.00 0.00 H new ATOM 0 HA HIS A 17 6.969 -2.982 -4.360 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.821 -3.712 -5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.386 -4.528 -5.723 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.978 -0.697 -5.612 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.913 -1.736 -9.616 1.00 0.00 H new ATOM 0 HE2 HIS A 17 8.129 0.134 -8.078 1.00 0.00 H new ATOM 239 N GLN A 18 6.937 -4.886 -2.793 1.00 0.00 N ATOM 240 CA GLN A 18 6.869 -5.972 -1.822 1.00 0.00 C ATOM 241 C GLN A 18 6.264 -7.224 -2.449 1.00 0.00 C ATOM 242 O GLN A 18 5.281 -7.148 -3.184 1.00 0.00 O ATOM 243 CB GLN A 18 6.044 -5.547 -0.606 1.00 0.00 C ATOM 244 CG GLN A 18 4.552 -5.783 -0.771 1.00 0.00 C ATOM 245 CD GLN A 18 3.775 -5.521 0.505 1.00 0.00 C ATOM 246 OE1 GLN A 18 2.926 -6.319 0.903 1.00 0.00 O ATOM 247 NE2 GLN A 18 4.064 -4.399 1.154 1.00 0.00 N ATOM 0 H GLN A 18 6.042 -4.644 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 18 7.885 -6.202 -1.500 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.395 -6.093 0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.217 -4.488 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.171 -5.138 -1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.384 -6.812 -1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.775 -3.766 0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.575 -4.170 2.019 1.00 0.00 H new ATOM 256 N GLU A 19 6.860 -8.375 -2.152 1.00 0.00 N ATOM 257 CA GLU A 19 6.380 -9.644 -2.687 1.00 0.00 C ATOM 258 C GLU A 19 5.579 -10.409 -1.638 1.00 0.00 C ATOM 259 O GLU A 19 6.144 -10.975 -0.702 1.00 0.00 O ATOM 260 CB GLU A 19 7.555 -10.496 -3.171 1.00 0.00 C ATOM 261 CG GLU A 19 7.150 -11.886 -3.631 1.00 0.00 C ATOM 262 CD GLU A 19 8.340 -12.745 -4.011 1.00 0.00 C ATOM 263 OE1 GLU A 19 9.410 -12.177 -4.315 1.00 0.00 O ATOM 264 OE2 GLU A 19 8.202 -13.986 -4.005 1.00 0.00 O ATOM 0 H GLU A 19 7.675 -8.455 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 19 5.725 -9.429 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.052 -9.981 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.283 -10.587 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.590 -12.379 -2.836 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.480 -11.801 -4.487 1.00 0.00 H new ATOM 271 N SER A 20 4.260 -10.422 -1.801 1.00 0.00 N ATOM 272 CA SER A 20 3.381 -11.114 -0.866 1.00 0.00 C ATOM 273 C SER A 20 3.023 -12.504 -1.384 1.00 0.00 C ATOM 274 O SER A 20 3.529 -12.942 -2.417 1.00 0.00 O ATOM 275 CB SER A 20 2.107 -10.300 -0.634 1.00 0.00 C ATOM 276 OG SER A 20 1.376 -10.143 -1.838 1.00 0.00 O ATOM 0 H SER A 20 3.777 -9.961 -2.572 1.00 0.00 H new ATOM 0 HA SER A 20 3.911 -11.223 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.485 -10.797 0.111 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.366 -9.321 -0.231 1.00 0.00 H new ATOM 0 HG SER A 20 0.656 -9.493 -1.701 1.00 0.00 H new ATOM 282 N ILE A 21 2.149 -13.192 -0.658 1.00 0.00 N ATOM 283 CA ILE A 21 1.722 -14.531 -1.043 1.00 0.00 C ATOM 284 C ILE A 21 0.205 -14.668 -0.968 1.00 0.00 C ATOM 285 O ILE A 21 -0.434 -14.113 -0.074 1.00 0.00 O ATOM 286 CB ILE A 21 2.368 -15.607 -0.150 1.00 0.00 C ATOM 287 CG1 ILE A 21 3.843 -15.785 -0.516 1.00 0.00 C ATOM 288 CG2 ILE A 21 1.621 -16.925 -0.284 1.00 0.00 C ATOM 289 CD1 ILE A 21 4.348 -17.197 -0.317 1.00 0.00 C ATOM 0 H ILE A 21 1.722 -12.844 0.201 1.00 0.00 H new ATOM 0 HA ILE A 21 2.047 -14.681 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 21 2.307 -15.281 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.988 -15.499 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.444 -15.104 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.090 -17.675 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.583 -16.788 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.654 -17.258 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.400 -17.250 -0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.235 -17.480 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.773 -17.881 -0.941 1.00 0.00 H new ATOM 301 N GLU A 22 -0.364 -15.411 -1.911 1.00 0.00 N ATOM 302 CA GLU A 22 -1.807 -15.622 -1.951 1.00 0.00 C ATOM 303 C GLU A 22 -2.332 -16.044 -0.582 1.00 0.00 C ATOM 304 O GLU A 22 -1.731 -16.876 0.097 1.00 0.00 O ATOM 305 CB GLU A 22 -2.162 -16.682 -2.995 1.00 0.00 C ATOM 306 CG GLU A 22 -3.602 -17.158 -2.914 1.00 0.00 C ATOM 307 CD GLU A 22 -4.548 -16.297 -3.728 1.00 0.00 C ATOM 308 OE1 GLU A 22 -4.255 -16.056 -4.918 1.00 0.00 O ATOM 309 OE2 GLU A 22 -5.581 -15.864 -3.176 1.00 0.00 O ATOM 0 H GLU A 22 0.151 -15.877 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.279 -14.679 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.978 -16.276 -3.990 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.498 -17.538 -2.872 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.661 -18.188 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.923 -17.158 -1.872 1.00 0.00 H new ATOM 316 N GLY A 23 -3.460 -15.464 -0.182 1.00 0.00 N ATOM 317 CA GLY A 23 -4.048 -15.792 1.104 1.00 0.00 C ATOM 318 C GLY A 23 -3.460 -14.972 2.235 1.00 0.00 C ATOM 319 O GLY A 23 -4.178 -14.546 3.139 1.00 0.00 O ATOM 0 H GLY A 23 -3.977 -14.773 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.125 -15.627 1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.896 -16.852 1.310 1.00 0.00 H new ATOM 323 N ALA A 24 -2.150 -14.753 2.187 1.00 0.00 N ATOM 324 CA ALA A 24 -1.467 -13.979 3.216 1.00 0.00 C ATOM 325 C ALA A 24 -2.083 -12.592 3.360 1.00 0.00 C ATOM 326 O ALA A 24 -2.995 -12.226 2.618 1.00 0.00 O ATOM 327 CB ALA A 24 0.016 -13.870 2.897 1.00 0.00 C ATOM 0 H ALA A 24 -1.541 -15.101 1.447 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.586 -14.500 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.514 -13.289 3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.453 -14.868 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.146 -13.375 1.935 1.00 0.00 H new ATOM 333 N THR A 25 -1.580 -11.822 4.320 1.00 0.00 N ATOM 334 CA THR A 25 -2.082 -10.475 4.562 1.00 0.00 C ATOM 335 C THR A 25 -1.032 -9.426 4.214 1.00 0.00 C ATOM 336 O THR A 25 -0.111 -9.175 4.990 1.00 0.00 O ATOM 337 CB THR A 25 -2.509 -10.290 6.030 1.00 0.00 C ATOM 338 OG1 THR A 25 -3.365 -11.367 6.430 1.00 0.00 O ATOM 339 CG2 THR A 25 -3.230 -8.964 6.221 1.00 0.00 C ATOM 0 H THR A 25 -0.825 -12.109 4.943 1.00 0.00 H new ATOM 0 HA THR A 25 -2.952 -10.342 3.919 1.00 0.00 H new ATOM 0 HB THR A 25 -1.612 -10.290 6.649 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.301 -11.097 6.325 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.522 -8.856 7.266 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.566 -8.145 5.943 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.119 -8.939 5.591 1.00 0.00 H new ATOM 347 N ALA A 26 -1.177 -8.816 3.042 1.00 0.00 N ATOM 348 CA ALA A 26 -0.242 -7.792 2.593 1.00 0.00 C ATOM 349 C ALA A 26 -0.281 -6.574 3.510 1.00 0.00 C ATOM 350 O ALA A 26 -1.263 -6.346 4.216 1.00 0.00 O ATOM 351 CB ALA A 26 -0.553 -7.386 1.160 1.00 0.00 C ATOM 0 H ALA A 26 -1.933 -9.013 2.386 1.00 0.00 H new ATOM 0 HA ALA A 26 0.764 -8.211 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.153 -6.621 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.468 -8.256 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.567 -6.990 1.106 1.00 0.00 H new ATOM 357 N THR A 27 0.795 -5.793 3.494 1.00 0.00 N ATOM 358 CA THR A 27 0.885 -4.599 4.325 1.00 0.00 C ATOM 359 C THR A 27 1.959 -3.649 3.808 1.00 0.00 C ATOM 360 O THR A 27 3.155 -3.897 3.974 1.00 0.00 O ATOM 361 CB THR A 27 1.195 -4.957 5.791 1.00 0.00 C ATOM 362 OG1 THR A 27 0.167 -5.805 6.316 1.00 0.00 O ATOM 363 CG2 THR A 27 1.308 -3.702 6.643 1.00 0.00 C ATOM 0 H THR A 27 1.616 -5.966 2.914 1.00 0.00 H new ATOM 0 HA THR A 27 -0.086 -4.106 4.276 1.00 0.00 H new ATOM 0 HB THR A 27 2.149 -5.483 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.609 -5.787 5.718 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.527 -3.981 7.674 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.111 -3.072 6.259 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.367 -3.152 6.608 1.00 0.00 H new ATOM 371 N LEU A 28 1.528 -2.561 3.181 1.00 0.00 N ATOM 372 CA LEU A 28 2.453 -1.571 2.640 1.00 0.00 C ATOM 373 C LEU A 28 2.712 -0.458 3.650 1.00 0.00 C ATOM 374 O LEU A 28 2.004 -0.336 4.650 1.00 0.00 O ATOM 375 CB LEU A 28 1.898 -0.980 1.343 1.00 0.00 C ATOM 376 CG LEU A 28 2.072 -1.835 0.088 1.00 0.00 C ATOM 377 CD1 LEU A 28 0.941 -1.575 -0.896 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.420 -1.561 -0.562 1.00 0.00 C ATOM 0 H LEU A 28 0.543 -2.341 3.034 1.00 0.00 H new ATOM 0 HA LEU A 28 3.398 -2.071 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.834 -0.786 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.378 -0.017 1.172 1.00 0.00 H new ATOM 0 HG LEU A 28 2.039 -2.885 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.082 -2.192 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.012 -1.823 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.942 -0.523 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.526 -2.179 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.483 -0.509 -0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.218 -1.799 0.141 1.00 0.00 H new ATOM 390 N ARG A 29 3.730 0.353 3.381 1.00 0.00 N ATOM 391 CA ARG A 29 4.082 1.457 4.266 1.00 0.00 C ATOM 392 C ARG A 29 4.878 2.522 3.516 1.00 0.00 C ATOM 393 O ARG A 29 5.698 2.205 2.654 1.00 0.00 O ATOM 394 CB ARG A 29 4.891 0.945 5.459 1.00 0.00 C ATOM 395 CG ARG A 29 5.130 1.998 6.529 1.00 0.00 C ATOM 396 CD ARG A 29 5.515 1.364 7.857 1.00 0.00 C ATOM 397 NE ARG A 29 6.383 2.234 8.647 1.00 0.00 N ATOM 398 CZ ARG A 29 6.948 1.865 9.791 1.00 0.00 C ATOM 399 NH1 ARG A 29 6.738 0.649 10.276 1.00 0.00 N ATOM 400 NH2 ARG A 29 7.724 2.714 10.453 1.00 0.00 N ATOM 0 H ARG A 29 4.325 0.266 2.557 1.00 0.00 H new ATOM 0 HA ARG A 29 3.158 1.907 4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.369 0.098 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.853 0.575 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.920 2.675 6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.229 2.598 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.613 1.138 8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.022 0.417 7.673 1.00 0.00 H new ATOM 0 HE ARG A 29 6.565 3.176 8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.141 -0.006 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.173 0.368 11.155 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.887 3.651 10.083 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.158 2.430 11.331 1.00 0.00 H new ATOM 414 N CYS A 30 4.631 3.783 3.852 1.00 0.00 N ATOM 415 CA CYS A 30 5.324 4.894 3.210 1.00 0.00 C ATOM 416 C CYS A 30 5.568 6.028 4.201 1.00 0.00 C ATOM 417 O CYS A 30 5.139 5.961 5.352 1.00 0.00 O ATOM 418 CB CYS A 30 4.515 5.408 2.018 1.00 0.00 C ATOM 419 SG CYS A 30 2.954 6.201 2.472 1.00 0.00 S ATOM 0 H CYS A 30 3.957 4.062 4.565 1.00 0.00 H new ATOM 0 HA CYS A 30 6.289 4.531 2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.123 6.120 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.305 4.574 1.348 1.00 0.00 H new ATOM 0 HG CYS A 30 2.082 6.016 1.526 1.00 0.00 H new ATOM 425 N GLU A 31 6.261 7.067 3.745 1.00 0.00 N ATOM 426 CA GLU A 31 6.564 8.214 4.593 1.00 0.00 C ATOM 427 C GLU A 31 6.144 9.516 3.917 1.00 0.00 C ATOM 428 O GLU A 31 6.041 9.588 2.692 1.00 0.00 O ATOM 429 CB GLU A 31 8.058 8.254 4.920 1.00 0.00 C ATOM 430 CG GLU A 31 8.374 8.937 6.240 1.00 0.00 C ATOM 431 CD GLU A 31 9.837 8.820 6.622 1.00 0.00 C ATOM 432 OE1 GLU A 31 10.677 8.670 5.710 1.00 0.00 O ATOM 433 OE2 GLU A 31 10.141 8.878 7.832 1.00 0.00 O ATOM 0 H GLU A 31 6.623 7.138 2.794 1.00 0.00 H new ATOM 0 HA GLU A 31 6.000 8.108 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.443 7.235 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.583 8.772 4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.103 9.991 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.761 8.499 7.027 1.00 0.00 H new ATOM 440 N LEU A 32 5.904 10.544 4.724 1.00 0.00 N ATOM 441 CA LEU A 32 5.495 11.844 4.205 1.00 0.00 C ATOM 442 C LEU A 32 6.251 12.971 4.903 1.00 0.00 C ATOM 443 O LEU A 32 6.665 12.834 6.054 1.00 0.00 O ATOM 444 CB LEU A 32 3.988 12.037 4.386 1.00 0.00 C ATOM 445 CG LEU A 32 3.090 11.163 3.510 1.00 0.00 C ATOM 446 CD1 LEU A 32 1.639 11.281 3.949 1.00 0.00 C ATOM 447 CD2 LEU A 32 3.239 11.545 2.045 1.00 0.00 C ATOM 0 H LEU A 32 5.986 10.502 5.740 1.00 0.00 H new ATOM 0 HA LEU A 32 5.734 11.875 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.740 11.846 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.749 13.082 4.188 1.00 0.00 H new ATOM 0 HG LEU A 32 3.400 10.125 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.015 10.652 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.545 10.957 4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.316 12.318 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.593 10.913 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.956 12.589 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.275 11.408 1.737 1.00 0.00 H new ATOM 459 N SER A 33 6.425 14.084 4.198 1.00 0.00 N ATOM 460 CA SER A 33 7.132 15.234 4.749 1.00 0.00 C ATOM 461 C SER A 33 6.551 15.633 6.102 1.00 0.00 C ATOM 462 O SER A 33 7.243 16.204 6.945 1.00 0.00 O ATOM 463 CB SER A 33 7.058 16.417 3.781 1.00 0.00 C ATOM 464 OG SER A 33 7.380 17.632 4.436 1.00 0.00 O ATOM 0 H SER A 33 6.086 14.214 3.245 1.00 0.00 H new ATOM 0 HA SER A 33 8.176 14.953 4.890 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.745 16.255 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.056 16.483 3.358 1.00 0.00 H new ATOM 0 HG SER A 33 7.030 18.386 3.917 1.00 0.00 H new ATOM 470 N LYS A 34 5.274 15.326 6.304 1.00 0.00 N ATOM 471 CA LYS A 34 4.597 15.649 7.554 1.00 0.00 C ATOM 472 C LYS A 34 3.238 14.960 7.631 1.00 0.00 C ATOM 473 O LYS A 34 2.544 14.823 6.624 1.00 0.00 O ATOM 474 CB LYS A 34 4.421 17.164 7.685 1.00 0.00 C ATOM 475 CG LYS A 34 3.699 17.797 6.509 1.00 0.00 C ATOM 476 CD LYS A 34 3.306 19.235 6.803 1.00 0.00 C ATOM 477 CE LYS A 34 3.283 20.077 5.537 1.00 0.00 C ATOM 478 NZ LYS A 34 4.607 20.700 5.261 1.00 0.00 N ATOM 0 H LYS A 34 4.687 14.853 5.617 1.00 0.00 H new ATOM 0 HA LYS A 34 5.214 15.288 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.867 17.379 8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.402 17.627 7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.341 17.767 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.807 17.216 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.323 19.256 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.009 19.667 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.992 19.454 4.692 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.528 20.857 5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.550 21.266 4.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.874 21.315 6.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.323 19.955 5.144 1.00 0.00 H new ATOM 492 N ALA A 35 2.865 14.530 8.831 1.00 0.00 N ATOM 493 CA ALA A 35 1.588 13.859 9.039 1.00 0.00 C ATOM 494 C ALA A 35 0.496 14.475 8.171 1.00 0.00 C ATOM 495 O ALA A 35 0.098 15.621 8.378 1.00 0.00 O ATOM 496 CB ALA A 35 1.193 13.919 10.508 1.00 0.00 C ATOM 0 H ALA A 35 3.429 14.634 9.674 1.00 0.00 H new ATOM 0 HA ALA A 35 1.703 12.815 8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.237 13.414 10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.956 13.426 11.110 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.102 14.960 10.818 1.00 0.00 H new ATOM 502 N ALA A 36 0.016 13.707 7.198 1.00 0.00 N ATOM 503 CA ALA A 36 -1.031 14.178 6.300 1.00 0.00 C ATOM 504 C ALA A 36 -1.838 13.012 5.739 1.00 0.00 C ATOM 505 O ALA A 36 -1.347 11.889 5.613 1.00 0.00 O ATOM 506 CB ALA A 36 -0.426 14.996 5.168 1.00 0.00 C ATOM 0 H ALA A 36 0.336 12.756 7.012 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.708 14.813 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.219 15.342 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.101 15.856 5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.274 14.377 4.606 1.00 0.00 H new ATOM 512 N PRO A 37 -3.106 13.280 5.395 1.00 0.00 N ATOM 513 CA PRO A 37 -4.008 12.265 4.843 1.00 0.00 C ATOM 514 C PRO A 37 -3.612 11.843 3.432 1.00 0.00 C ATOM 515 O PRO A 37 -3.162 12.663 2.632 1.00 0.00 O ATOM 516 CB PRO A 37 -5.368 12.969 4.829 1.00 0.00 C ATOM 517 CG PRO A 37 -5.042 14.421 4.757 1.00 0.00 C ATOM 518 CD PRO A 37 -3.757 14.595 5.519 1.00 0.00 C ATOM 0 HA PRO A 37 -3.994 11.346 5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.968 12.655 3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.943 12.736 5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.929 14.745 3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.839 15.022 5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.143 15.389 5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.940 14.856 6.561 1.00 0.00 H new ATOM 526 N VAL A 38 -3.782 10.559 3.134 1.00 0.00 N ATOM 527 CA VAL A 38 -3.444 10.029 1.818 1.00 0.00 C ATOM 528 C VAL A 38 -4.586 9.194 1.252 1.00 0.00 C ATOM 529 O VAL A 38 -5.649 9.083 1.862 1.00 0.00 O ATOM 530 CB VAL A 38 -2.169 9.166 1.872 1.00 0.00 C ATOM 531 CG1 VAL A 38 -0.971 10.008 2.283 1.00 0.00 C ATOM 532 CG2 VAL A 38 -2.359 7.994 2.824 1.00 0.00 C ATOM 0 H VAL A 38 -4.152 9.867 3.786 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.267 10.885 1.167 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.978 8.768 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.080 9.381 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.824 10.810 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.149 10.437 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.449 7.395 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.575 8.369 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.190 7.377 2.481 1.00 0.00 H new ATOM 542 N GLU A 39 -4.359 8.607 0.080 1.00 0.00 N ATOM 543 CA GLU A 39 -5.371 7.782 -0.569 1.00 0.00 C ATOM 544 C GLU A 39 -4.725 6.766 -1.507 1.00 0.00 C ATOM 545 O GLU A 39 -4.252 7.117 -2.588 1.00 0.00 O ATOM 546 CB GLU A 39 -6.354 8.659 -1.347 1.00 0.00 C ATOM 547 CG GLU A 39 -7.417 7.868 -2.091 1.00 0.00 C ATOM 548 CD GLU A 39 -8.112 8.688 -3.161 1.00 0.00 C ATOM 549 OE1 GLU A 39 -7.420 9.458 -3.860 1.00 0.00 O ATOM 550 OE2 GLU A 39 -9.346 8.560 -3.299 1.00 0.00 O ATOM 0 H GLU A 39 -3.484 8.688 -0.438 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.914 7.241 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.842 9.346 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.799 9.267 -2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.958 6.992 -2.550 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.158 7.503 -1.379 1.00 0.00 H new ATOM 557 N TRP A 40 -4.708 5.507 -1.084 1.00 0.00 N ATOM 558 CA TRP A 40 -4.120 4.440 -1.886 1.00 0.00 C ATOM 559 C TRP A 40 -4.965 4.159 -3.123 1.00 0.00 C ATOM 560 O TRP A 40 -6.171 4.407 -3.132 1.00 0.00 O ATOM 561 CB TRP A 40 -3.977 3.167 -1.051 1.00 0.00 C ATOM 562 CG TRP A 40 -3.118 3.347 0.164 1.00 0.00 C ATOM 563 CD1 TRP A 40 -3.444 4.024 1.305 1.00 0.00 C ATOM 564 CD2 TRP A 40 -1.792 2.844 0.359 1.00 0.00 C ATOM 565 NE1 TRP A 40 -2.400 3.972 2.197 1.00 0.00 N ATOM 566 CE2 TRP A 40 -1.375 3.253 1.641 1.00 0.00 C ATOM 567 CE3 TRP A 40 -0.917 2.085 -0.423 1.00 0.00 C ATOM 568 CZ2 TRP A 40 -0.122 2.930 2.154 1.00 0.00 C ATOM 569 CZ3 TRP A 40 0.326 1.766 0.088 1.00 0.00 C ATOM 570 CH2 TRP A 40 0.714 2.187 1.367 1.00 0.00 C ATOM 0 H TRP A 40 -5.094 5.200 -0.191 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.132 4.766 -2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.967 2.831 -0.741 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.553 2.379 -1.673 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.384 4.526 1.480 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.390 4.399 3.123 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.207 1.754 -1.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 0.179 3.255 3.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 1.011 1.182 -0.509 1.00 0.00 H new ATOM 0 HH2 TRP A 40 1.692 1.920 1.738 1.00 0.00 H new ATOM 581 N ARG A 41 -4.325 3.641 -4.167 1.00 0.00 N ATOM 582 CA ARG A 41 -5.019 3.327 -5.410 1.00 0.00 C ATOM 583 C ARG A 41 -4.425 2.085 -6.066 1.00 0.00 C ATOM 584 O ARG A 41 -3.285 2.099 -6.531 1.00 0.00 O ATOM 585 CB ARG A 41 -4.943 4.512 -6.374 1.00 0.00 C ATOM 586 CG ARG A 41 -5.769 5.710 -5.935 1.00 0.00 C ATOM 587 CD ARG A 41 -6.013 6.672 -7.087 1.00 0.00 C ATOM 588 NE ARG A 41 -7.246 7.436 -6.911 1.00 0.00 N ATOM 589 CZ ARG A 41 -8.445 6.989 -7.268 1.00 0.00 C ATOM 590 NH1 ARG A 41 -8.572 5.789 -7.817 1.00 0.00 N ATOM 591 NH2 ARG A 41 -9.519 7.743 -7.075 1.00 0.00 N ATOM 0 H ARG A 41 -3.327 3.430 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.064 3.126 -5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.902 4.818 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.281 4.190 -7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.724 5.368 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.255 6.231 -5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.170 7.358 -7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.063 6.113 -8.021 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.183 8.363 -6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.748 5.207 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.494 5.448 -8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.425 8.666 -6.652 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.439 7.399 -7.349 1.00 0.00 H new ATOM 605 N LYS A 42 -5.205 1.009 -6.099 1.00 0.00 N ATOM 606 CA LYS A 42 -4.757 -0.243 -6.698 1.00 0.00 C ATOM 607 C LYS A 42 -4.860 -0.185 -8.219 1.00 0.00 C ATOM 608 O LYS A 42 -5.798 -0.719 -8.809 1.00 0.00 O ATOM 609 CB LYS A 42 -5.587 -1.412 -6.165 1.00 0.00 C ATOM 610 CG LYS A 42 -5.237 -2.746 -6.801 1.00 0.00 C ATOM 611 CD LYS A 42 -6.145 -3.858 -6.301 1.00 0.00 C ATOM 612 CE LYS A 42 -6.049 -5.094 -7.181 1.00 0.00 C ATOM 613 NZ LYS A 42 -7.275 -5.935 -7.093 1.00 0.00 N ATOM 0 H LYS A 42 -6.151 0.979 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.712 -0.394 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.446 -1.485 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.643 -1.204 -6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.321 -2.666 -7.885 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.199 -2.995 -6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.875 -4.117 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.176 -3.505 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.890 -4.791 -8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.182 -5.684 -6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.170 -6.768 -7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.413 -6.245 -6.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.099 -5.380 -7.400 1.00 0.00 H new ATOM 627 N GLY A 43 -3.886 0.466 -8.849 1.00 0.00 N ATOM 628 CA GLY A 43 -3.885 0.580 -10.296 1.00 0.00 C ATOM 629 C GLY A 43 -4.705 1.757 -10.785 1.00 0.00 C ATOM 630 O GLY A 43 -4.160 2.822 -11.079 1.00 0.00 O ATOM 0 H GLY A 43 -3.098 0.916 -8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.859 0.685 -10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.279 -0.339 -10.730 1.00 0.00 H new ATOM 634 N ARG A 44 -6.017 1.567 -10.875 1.00 0.00 N ATOM 635 CA ARG A 44 -6.912 2.621 -11.335 1.00 0.00 C ATOM 636 C ARG A 44 -8.145 2.716 -10.441 1.00 0.00 C ATOM 637 O ARG A 44 -9.203 3.171 -10.874 1.00 0.00 O ATOM 638 CB ARG A 44 -7.337 2.363 -12.782 1.00 0.00 C ATOM 639 CG ARG A 44 -8.239 1.151 -12.945 1.00 0.00 C ATOM 640 CD ARG A 44 -8.503 0.846 -14.412 1.00 0.00 C ATOM 641 NE ARG A 44 -7.274 0.540 -15.137 1.00 0.00 N ATOM 642 CZ ARG A 44 -7.167 0.597 -16.460 1.00 0.00 C ATOM 643 NH1 ARG A 44 -8.211 0.949 -17.198 1.00 0.00 N ATOM 644 NH2 ARG A 44 -6.014 0.303 -17.048 1.00 0.00 N ATOM 0 H ARG A 44 -6.484 0.692 -10.635 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.374 3.568 -11.285 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.854 3.244 -13.162 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.446 2.227 -13.395 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.777 0.286 -12.470 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.185 1.329 -12.433 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -9.189 0.002 -14.489 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -8.995 1.700 -14.877 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.452 0.267 -14.598 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.099 1.177 -16.750 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.126 0.992 -18.214 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.208 0.033 -16.484 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.934 0.347 -18.064 1.00 0.00 H new ATOM 658 N GLU A 45 -8.000 2.283 -9.193 1.00 0.00 N ATOM 659 CA GLU A 45 -9.102 2.318 -8.239 1.00 0.00 C ATOM 660 C GLU A 45 -8.715 3.103 -6.989 1.00 0.00 C ATOM 661 O GLU A 45 -7.540 3.391 -6.763 1.00 0.00 O ATOM 662 CB GLU A 45 -9.519 0.897 -7.855 1.00 0.00 C ATOM 663 CG GLU A 45 -11.014 0.740 -7.634 1.00 0.00 C ATOM 664 CD GLU A 45 -11.780 0.565 -8.930 1.00 0.00 C ATOM 665 OE1 GLU A 45 -11.446 1.257 -9.915 1.00 0.00 O ATOM 666 OE2 GLU A 45 -12.714 -0.264 -8.960 1.00 0.00 O ATOM 0 H GLU A 45 -7.130 1.904 -8.819 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.945 2.819 -8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.202 0.210 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.993 0.606 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.194 -0.121 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.394 1.616 -7.107 1.00 0.00 H new ATOM 673 N SER A 46 -9.713 3.446 -6.180 1.00 0.00 N ATOM 674 CA SER A 46 -9.478 4.201 -4.955 1.00 0.00 C ATOM 675 C SER A 46 -9.633 3.307 -3.728 1.00 0.00 C ATOM 676 O SER A 46 -10.733 2.854 -3.410 1.00 0.00 O ATOM 677 CB SER A 46 -10.447 5.381 -4.865 1.00 0.00 C ATOM 678 OG SER A 46 -10.622 5.796 -3.521 1.00 0.00 O ATOM 0 H SER A 46 -10.691 3.213 -6.351 1.00 0.00 H new ATOM 0 HA SER A 46 -8.456 4.580 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.068 6.213 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.410 5.098 -5.290 1.00 0.00 H new ATOM 0 HG SER A 46 -10.225 6.684 -3.398 1.00 0.00 H new ATOM 684 N LEU A 47 -8.523 3.057 -3.042 1.00 0.00 N ATOM 685 CA LEU A 47 -8.533 2.217 -1.850 1.00 0.00 C ATOM 686 C LEU A 47 -8.773 3.053 -0.597 1.00 0.00 C ATOM 687 O LEU A 47 -8.204 4.134 -0.442 1.00 0.00 O ATOM 688 CB LEU A 47 -7.211 1.459 -1.725 1.00 0.00 C ATOM 689 CG LEU A 47 -7.090 0.178 -2.552 1.00 0.00 C ATOM 690 CD1 LEU A 47 -7.748 0.357 -3.911 1.00 0.00 C ATOM 691 CD2 LEU A 47 -5.630 -0.218 -2.712 1.00 0.00 C ATOM 0 H LEU A 47 -7.605 3.424 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.348 1.500 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.402 2.131 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.058 1.206 -0.676 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.606 -0.623 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.652 -0.564 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.804 0.592 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.260 1.171 -4.447 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.563 -1.131 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.089 0.582 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.190 -0.389 -1.730 1.00 0.00 H new ATOM 703 N ARG A 48 -9.618 2.545 0.295 1.00 0.00 N ATOM 704 CA ARG A 48 -9.932 3.245 1.535 1.00 0.00 C ATOM 705 C ARG A 48 -10.368 2.262 2.618 1.00 0.00 C ATOM 706 O ARG A 48 -10.826 1.159 2.321 1.00 0.00 O ATOM 707 CB ARG A 48 -11.033 4.279 1.296 1.00 0.00 C ATOM 708 CG ARG A 48 -12.183 3.760 0.448 1.00 0.00 C ATOM 709 CD ARG A 48 -13.494 4.439 0.811 1.00 0.00 C ATOM 710 NE ARG A 48 -13.821 4.276 2.226 1.00 0.00 N ATOM 711 CZ ARG A 48 -14.988 4.626 2.755 1.00 0.00 C ATOM 712 NH1 ARG A 48 -15.934 5.155 1.992 1.00 0.00 N ATOM 713 NH2 ARG A 48 -15.210 4.447 4.051 1.00 0.00 N ATOM 0 H ARG A 48 -10.097 1.652 0.182 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.031 3.756 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -11.423 4.611 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.600 5.153 0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.964 3.929 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.280 2.683 0.585 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.430 5.501 0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.298 4.024 0.203 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.115 3.871 2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.767 5.294 0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.829 5.423 2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -14.484 4.041 4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.106 4.716 4.457 1.00 0.00 H new ATOM 727 N ASP A 49 -10.222 2.671 3.873 1.00 0.00 N ATOM 728 CA ASP A 49 -10.600 1.827 5.001 1.00 0.00 C ATOM 729 C ASP A 49 -11.980 1.215 4.782 1.00 0.00 C ATOM 730 O ASP A 49 -12.975 1.929 4.658 1.00 0.00 O ATOM 731 CB ASP A 49 -10.588 2.637 6.298 1.00 0.00 C ATOM 732 CG ASP A 49 -11.589 2.121 7.313 1.00 0.00 C ATOM 733 OD1 ASP A 49 -11.413 0.981 7.792 1.00 0.00 O ATOM 734 OD2 ASP A 49 -12.549 2.855 7.627 1.00 0.00 O ATOM 0 H ASP A 49 -9.845 3.582 4.135 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.872 1.020 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.588 2.608 6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.808 3.681 6.073 1.00 0.00 H new ATOM 739 N GLY A 50 -12.033 -0.113 4.735 1.00 0.00 N ATOM 740 CA GLY A 50 -13.295 -0.799 4.529 1.00 0.00 C ATOM 741 C GLY A 50 -13.349 -2.138 5.237 1.00 0.00 C ATOM 742 O GLY A 50 -12.848 -2.278 6.353 1.00 0.00 O ATOM 0 H GLY A 50 -11.224 -0.726 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.110 -0.169 4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.453 -0.949 3.461 1.00 0.00 H new ATOM 746 N ASP A 51 -13.960 -3.124 4.589 1.00 0.00 N ATOM 747 CA ASP A 51 -14.078 -4.459 5.164 1.00 0.00 C ATOM 748 C ASP A 51 -12.841 -4.809 5.985 1.00 0.00 C ATOM 749 O ASP A 51 -12.893 -4.863 7.213 1.00 0.00 O ATOM 750 CB ASP A 51 -14.284 -5.496 4.060 1.00 0.00 C ATOM 751 CG ASP A 51 -15.750 -5.720 3.742 1.00 0.00 C ATOM 752 OD1 ASP A 51 -16.602 -5.350 4.576 1.00 0.00 O ATOM 753 OD2 ASP A 51 -16.044 -6.265 2.657 1.00 0.00 O ATOM 0 H ASP A 51 -14.381 -3.024 3.665 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.944 -4.468 5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -13.765 -5.170 3.158 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -13.833 -6.440 4.364 1.00 0.00 H new ATOM 758 N ARG A 52 -11.729 -5.046 5.296 1.00 0.00 N ATOM 759 CA ARG A 52 -10.479 -5.394 5.961 1.00 0.00 C ATOM 760 C ARG A 52 -9.418 -4.324 5.718 1.00 0.00 C ATOM 761 O ARG A 52 -8.640 -3.992 6.613 1.00 0.00 O ATOM 762 CB ARG A 52 -9.973 -6.750 5.465 1.00 0.00 C ATOM 763 CG ARG A 52 -9.331 -7.595 6.553 1.00 0.00 C ATOM 764 CD ARG A 52 -8.068 -6.942 7.094 1.00 0.00 C ATOM 765 NE ARG A 52 -7.440 -7.747 8.138 1.00 0.00 N ATOM 766 CZ ARG A 52 -7.847 -7.759 9.402 1.00 0.00 C ATOM 767 NH1 ARG A 52 -8.878 -7.013 9.777 1.00 0.00 N ATOM 768 NH2 ARG A 52 -7.224 -8.517 10.294 1.00 0.00 N ATOM 0 H ARG A 52 -11.668 -5.003 4.279 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.671 -5.455 7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.806 -7.303 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.248 -6.588 4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.042 -7.744 7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.090 -8.581 6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.361 -6.790 6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.311 -5.957 7.493 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.645 -8.332 7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.360 -6.429 9.094 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.189 -7.024 10.748 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.431 -9.092 10.010 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.538 -8.525 11.264 1.00 0.00 H new ATOM 782 N HIS A 53 -9.394 -3.787 4.502 1.00 0.00 N ATOM 783 CA HIS A 53 -8.429 -2.754 4.142 1.00 0.00 C ATOM 784 C HIS A 53 -8.243 -1.762 5.286 1.00 0.00 C ATOM 785 O HIS A 53 -9.152 -0.999 5.613 1.00 0.00 O ATOM 786 CB HIS A 53 -8.885 -2.018 2.882 1.00 0.00 C ATOM 787 CG HIS A 53 -8.816 -2.854 1.641 1.00 0.00 C ATOM 788 ND1 HIS A 53 -9.733 -3.841 1.346 1.00 0.00 N ATOM 789 CD2 HIS A 53 -7.932 -2.846 0.616 1.00 0.00 C ATOM 790 CE1 HIS A 53 -9.415 -4.404 0.194 1.00 0.00 C ATOM 791 NE2 HIS A 53 -8.326 -3.818 -0.270 1.00 0.00 N ATOM 0 H HIS A 53 -10.031 -4.050 3.750 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.472 -3.238 3.945 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.910 -1.675 3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.268 -1.130 2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.076 -2.196 0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.954 -5.207 -0.287 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.854 -4.050 -1.144 1.00 0.00 H new ATOM 800 N SER A 54 -7.059 -1.778 5.891 1.00 0.00 N ATOM 801 CA SER A 54 -6.756 -0.883 7.001 1.00 0.00 C ATOM 802 C SER A 54 -5.794 0.218 6.564 1.00 0.00 C ATOM 803 O SER A 54 -4.720 -0.057 6.027 1.00 0.00 O ATOM 804 CB SER A 54 -6.153 -1.669 8.167 1.00 0.00 C ATOM 805 OG SER A 54 -6.484 -1.073 9.409 1.00 0.00 O ATOM 0 H SER A 54 -6.294 -2.401 5.631 1.00 0.00 H new ATOM 0 HA SER A 54 -7.687 -0.420 7.327 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.517 -2.696 8.144 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.069 -1.713 8.058 1.00 0.00 H new ATOM 0 HG SER A 54 -6.088 -1.595 10.138 1.00 0.00 H new ATOM 811 N LEU A 55 -6.187 1.465 6.798 1.00 0.00 N ATOM 812 CA LEU A 55 -5.362 2.609 6.429 1.00 0.00 C ATOM 813 C LEU A 55 -4.940 3.398 7.665 1.00 0.00 C ATOM 814 O LEU A 55 -5.487 4.464 7.949 1.00 0.00 O ATOM 815 CB LEU A 55 -6.120 3.520 5.463 1.00 0.00 C ATOM 816 CG LEU A 55 -6.461 2.918 4.099 1.00 0.00 C ATOM 817 CD1 LEU A 55 -5.208 2.781 3.248 1.00 0.00 C ATOM 818 CD2 LEU A 55 -7.143 1.568 4.268 1.00 0.00 C ATOM 0 H LEU A 55 -7.072 1.709 7.242 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.465 2.234 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.048 3.832 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.526 4.420 5.302 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.151 3.590 3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.470 2.351 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.760 3.764 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.494 2.130 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.379 1.154 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.477 0.888 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.063 1.694 4.839 1.00 0.00 H new ATOM 830 N ARG A 56 -3.964 2.868 8.394 1.00 0.00 N ATOM 831 CA ARG A 56 -3.469 3.523 9.599 1.00 0.00 C ATOM 832 C ARG A 56 -2.240 4.373 9.290 1.00 0.00 C ATOM 833 O ARG A 56 -1.524 4.116 8.322 1.00 0.00 O ATOM 834 CB ARG A 56 -3.126 2.482 10.667 1.00 0.00 C ATOM 835 CG ARG A 56 -2.061 1.490 10.231 1.00 0.00 C ATOM 836 CD ARG A 56 -2.061 0.250 11.111 1.00 0.00 C ATOM 837 NE ARG A 56 -1.589 0.538 12.463 1.00 0.00 N ATOM 838 CZ ARG A 56 -0.305 0.611 12.793 1.00 0.00 C ATOM 839 NH1 ARG A 56 0.632 0.418 11.875 1.00 0.00 N ATOM 840 NH2 ARG A 56 0.045 0.878 14.045 1.00 0.00 N ATOM 0 H ARG A 56 -3.500 1.987 8.172 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.256 4.176 9.977 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.786 2.995 11.566 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.031 1.936 10.934 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.234 1.202 9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.081 1.966 10.271 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.070 -0.160 11.159 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.427 -0.514 10.661 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.284 0.691 13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.367 0.213 10.912 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.617 0.475 12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.673 1.027 14.754 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.032 0.934 14.298 1.00 0.00 H new ATOM 854 N GLN A 57 -2.003 5.385 10.118 1.00 0.00 N ATOM 855 CA GLN A 57 -0.862 6.273 9.932 1.00 0.00 C ATOM 856 C GLN A 57 -0.110 6.476 11.243 1.00 0.00 C ATOM 857 O GLN A 57 -0.535 5.996 12.294 1.00 0.00 O ATOM 858 CB GLN A 57 -1.324 7.623 9.380 1.00 0.00 C ATOM 859 CG GLN A 57 -1.932 7.536 7.989 1.00 0.00 C ATOM 860 CD GLN A 57 -2.524 8.853 7.528 1.00 0.00 C ATOM 861 OE1 GLN A 57 -3.721 9.096 7.682 1.00 0.00 O ATOM 862 NE2 GLN A 57 -1.686 9.712 6.959 1.00 0.00 N ATOM 0 H GLN A 57 -2.586 5.610 10.924 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.185 5.808 9.215 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.058 8.053 10.062 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.474 8.305 9.354 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.166 7.219 7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.708 6.771 7.983 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.701 9.469 6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.027 10.615 6.629 1.00 0.00 H new ATOM 871 N ASP A 58 1.008 7.190 11.174 1.00 0.00 N ATOM 872 CA ASP A 58 1.818 7.458 12.356 1.00 0.00 C ATOM 873 C ASP A 58 2.843 8.553 12.076 1.00 0.00 C ATOM 874 O ASP A 58 3.840 8.325 11.393 1.00 0.00 O ATOM 875 CB ASP A 58 2.529 6.183 12.813 1.00 0.00 C ATOM 876 CG ASP A 58 2.828 6.188 14.299 1.00 0.00 C ATOM 877 OD1 ASP A 58 1.878 6.336 15.095 1.00 0.00 O ATOM 878 OD2 ASP A 58 4.013 6.045 14.667 1.00 0.00 O ATOM 0 H ASP A 58 1.374 7.594 10.312 1.00 0.00 H new ATOM 0 HA ASP A 58 1.155 7.800 13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.909 5.319 12.573 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.461 6.071 12.258 1.00 0.00 H new ATOM 883 N GLY A 59 2.588 9.745 12.609 1.00 0.00 N ATOM 884 CA GLY A 59 3.496 10.858 12.404 1.00 0.00 C ATOM 885 C GLY A 59 4.165 10.819 11.044 1.00 0.00 C ATOM 886 O GLY A 59 5.289 10.336 10.912 1.00 0.00 O ATOM 0 H GLY A 59 1.769 9.959 13.179 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.948 11.794 12.509 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.260 10.847 13.181 1.00 0.00 H new ATOM 890 N ALA A 60 3.471 11.326 10.030 1.00 0.00 N ATOM 891 CA ALA A 60 4.005 11.347 8.674 1.00 0.00 C ATOM 892 C ALA A 60 4.310 9.936 8.183 1.00 0.00 C ATOM 893 O ALA A 60 5.395 9.669 7.666 1.00 0.00 O ATOM 894 CB ALA A 60 5.255 12.212 8.612 1.00 0.00 C ATOM 0 H ALA A 60 2.538 11.728 10.122 1.00 0.00 H new ATOM 0 HA ALA A 60 3.248 11.776 8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.643 12.218 7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.008 13.230 8.913 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.011 11.808 9.285 1.00 0.00 H new ATOM 900 N VAL A 61 3.347 9.035 8.348 1.00 0.00 N ATOM 901 CA VAL A 61 3.513 7.651 7.921 1.00 0.00 C ATOM 902 C VAL A 61 2.165 6.997 7.642 1.00 0.00 C ATOM 903 O VAL A 61 1.179 7.264 8.330 1.00 0.00 O ATOM 904 CB VAL A 61 4.264 6.823 8.981 1.00 0.00 C ATOM 905 CG1 VAL A 61 4.496 5.404 8.484 1.00 0.00 C ATOM 906 CG2 VAL A 61 5.581 7.492 9.345 1.00 0.00 C ATOM 0 H VAL A 61 2.443 9.239 8.775 1.00 0.00 H new ATOM 0 HA VAL A 61 4.101 7.671 7.003 1.00 0.00 H new ATOM 0 HB VAL A 61 3.649 6.771 9.880 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.028 4.834 9.246 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.537 4.929 8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 61 5.090 5.431 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.098 6.893 10.095 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.205 7.576 8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.385 8.486 9.746 1.00 0.00 H new ATOM 916 N CYS A 62 2.129 6.139 6.628 1.00 0.00 N ATOM 917 CA CYS A 62 0.900 5.446 6.257 1.00 0.00 C ATOM 918 C CYS A 62 1.150 3.951 6.087 1.00 0.00 C ATOM 919 O CYS A 62 2.267 3.528 5.790 1.00 0.00 O ATOM 920 CB CYS A 62 0.332 6.030 4.963 1.00 0.00 C ATOM 921 SG CYS A 62 0.093 7.822 5.004 1.00 0.00 S ATOM 0 H CYS A 62 2.936 5.907 6.049 1.00 0.00 H new ATOM 0 HA CYS A 62 0.176 5.587 7.059 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.003 5.782 4.140 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.624 5.552 4.750 1.00 0.00 H new ATOM 0 HG CYS A 62 0.809 8.377 4.071 1.00 0.00 H new ATOM 927 N GLU A 63 0.102 3.155 6.280 1.00 0.00 N ATOM 928 CA GLU A 63 0.209 1.707 6.152 1.00 0.00 C ATOM 929 C GLU A 63 -1.088 1.111 5.613 1.00 0.00 C ATOM 930 O GLU A 63 -2.157 1.292 6.197 1.00 0.00 O ATOM 931 CB GLU A 63 0.550 1.076 7.503 1.00 0.00 C ATOM 932 CG GLU A 63 2.042 1.002 7.782 1.00 0.00 C ATOM 933 CD GLU A 63 2.394 -0.064 8.801 1.00 0.00 C ATOM 934 OE1 GLU A 63 1.950 -1.219 8.627 1.00 0.00 O ATOM 935 OE2 GLU A 63 3.111 0.255 9.771 1.00 0.00 O ATOM 0 H GLU A 63 -0.830 3.489 6.525 1.00 0.00 H new ATOM 0 HA GLU A 63 1.010 1.489 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.069 1.651 8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.132 0.070 7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.572 0.799 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.389 1.971 8.141 1.00 0.00 H new ATOM 942 N LEU A 64 -0.986 0.401 4.495 1.00 0.00 N ATOM 943 CA LEU A 64 -2.151 -0.222 3.875 1.00 0.00 C ATOM 944 C LEU A 64 -2.138 -1.733 4.087 1.00 0.00 C ATOM 945 O LEU A 64 -1.304 -2.440 3.523 1.00 0.00 O ATOM 946 CB LEU A 64 -2.188 0.094 2.379 1.00 0.00 C ATOM 947 CG LEU A 64 -3.271 -0.618 1.569 1.00 0.00 C ATOM 948 CD1 LEU A 64 -4.648 -0.330 2.148 1.00 0.00 C ATOM 949 CD2 LEU A 64 -3.207 -0.199 0.108 1.00 0.00 C ATOM 0 H LEU A 64 -0.109 0.242 3.999 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.045 0.185 4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.320 1.169 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.218 -0.158 1.951 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.093 -1.692 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.406 -0.845 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.690 -0.681 3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.836 0.743 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.985 -0.716 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.359 0.878 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.231 -0.458 -0.302 1.00 0.00 H new ATOM 961 N GLN A 65 -3.069 -2.219 4.902 1.00 0.00 N ATOM 962 CA GLN A 65 -3.165 -3.646 5.186 1.00 0.00 C ATOM 963 C GLN A 65 -4.276 -4.291 4.365 1.00 0.00 C ATOM 964 O GLN A 65 -5.416 -3.827 4.373 1.00 0.00 O ATOM 965 CB GLN A 65 -3.418 -3.875 6.677 1.00 0.00 C ATOM 966 CG GLN A 65 -2.981 -5.246 7.165 1.00 0.00 C ATOM 967 CD GLN A 65 -3.512 -5.571 8.547 1.00 0.00 C ATOM 968 OE1 GLN A 65 -4.458 -4.943 9.024 1.00 0.00 O ATOM 969 NE2 GLN A 65 -2.906 -6.556 9.199 1.00 0.00 N ATOM 0 H GLN A 65 -3.767 -1.646 5.377 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.218 -4.110 4.910 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.891 -3.110 7.248 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.481 -3.748 6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.324 -6.004 6.461 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.892 -5.292 7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.126 -7.050 8.766 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.221 -6.819 10.133 1.00 0.00 H new ATOM 978 N ILE A 66 -3.936 -5.363 3.657 1.00 0.00 N ATOM 979 CA ILE A 66 -4.906 -6.072 2.831 1.00 0.00 C ATOM 980 C ILE A 66 -4.920 -7.562 3.156 1.00 0.00 C ATOM 981 O ILE A 66 -3.927 -8.262 2.951 1.00 0.00 O ATOM 982 CB ILE A 66 -4.609 -5.888 1.331 1.00 0.00 C ATOM 983 CG1 ILE A 66 -4.661 -4.405 0.957 1.00 0.00 C ATOM 984 CG2 ILE A 66 -5.598 -6.686 0.494 1.00 0.00 C ATOM 985 CD1 ILE A 66 -4.197 -4.122 -0.455 1.00 0.00 C ATOM 0 H ILE A 66 -2.996 -5.760 3.639 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.883 -5.645 3.055 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.605 -6.260 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.683 -4.045 1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.042 -3.841 1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.376 -6.546 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.517 -7.744 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.611 -6.341 0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.261 -3.052 -0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.165 -4.452 -0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.831 -4.659 -1.161 1.00 0.00 H new ATOM 997 N CYS A 67 -6.051 -8.040 3.662 1.00 0.00 N ATOM 998 CA CYS A 67 -6.195 -9.448 4.015 1.00 0.00 C ATOM 999 C CYS A 67 -6.674 -10.263 2.817 1.00 0.00 C ATOM 1000 O CYS A 67 -7.025 -9.708 1.777 1.00 0.00 O ATOM 1001 CB CYS A 67 -7.175 -9.606 5.179 1.00 0.00 C ATOM 1002 SG CYS A 67 -6.846 -11.038 6.232 1.00 0.00 S ATOM 0 H CYS A 67 -6.881 -7.474 3.837 1.00 0.00 H new ATOM 0 HA CYS A 67 -5.218 -9.823 4.319 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.144 -8.704 5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.186 -9.687 4.780 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.725 -11.085 7.188 1.00 0.00 H new ATOM 1008 N GLY A 68 -6.683 -11.583 2.972 1.00 0.00 N ATOM 1009 CA GLY A 68 -7.118 -12.453 1.895 1.00 0.00 C ATOM 1010 C GLY A 68 -6.487 -12.089 0.565 1.00 0.00 C ATOM 1011 O GLY A 68 -7.189 -11.840 -0.416 1.00 0.00 O ATOM 0 H GLY A 68 -6.397 -12.066 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.868 -13.485 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.203 -12.401 1.805 1.00 0.00 H new ATOM 1015 N LEU A 69 -5.160 -12.055 0.531 1.00 0.00 N ATOM 1016 CA LEU A 69 -4.434 -11.717 -0.688 1.00 0.00 C ATOM 1017 C LEU A 69 -4.881 -12.598 -1.850 1.00 0.00 C ATOM 1018 O LEU A 69 -5.514 -13.634 -1.649 1.00 0.00 O ATOM 1019 CB LEU A 69 -2.928 -11.869 -0.468 1.00 0.00 C ATOM 1020 CG LEU A 69 -2.210 -10.653 0.119 1.00 0.00 C ATOM 1021 CD1 LEU A 69 -0.829 -11.042 0.624 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -2.108 -9.542 -0.916 1.00 0.00 C ATOM 0 H LEU A 69 -4.564 -12.257 1.334 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.655 -10.679 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.762 -12.719 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.464 -12.114 -1.424 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.793 -10.283 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.333 -10.164 1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.926 -11.803 1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.238 -11.437 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.594 -8.685 -0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.548 -9.900 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.108 -9.244 -1.230 1.00 0.00 H new ATOM 1034 N ALA A 70 -4.544 -12.181 -3.066 1.00 0.00 N ATOM 1035 CA ALA A 70 -4.907 -12.934 -4.260 1.00 0.00 C ATOM 1036 C ALA A 70 -3.963 -12.620 -5.416 1.00 0.00 C ATOM 1037 O ALA A 70 -3.795 -11.461 -5.796 1.00 0.00 O ATOM 1038 CB ALA A 70 -6.345 -12.636 -4.656 1.00 0.00 C ATOM 0 H ALA A 70 -4.020 -11.325 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.818 -13.996 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.602 -13.205 -5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.012 -12.918 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.453 -11.571 -4.861 1.00 0.00 H new ATOM 1044 N VAL A 71 -3.347 -13.659 -5.971 1.00 0.00 N ATOM 1045 CA VAL A 71 -2.420 -13.494 -7.084 1.00 0.00 C ATOM 1046 C VAL A 71 -2.888 -12.394 -8.030 1.00 0.00 C ATOM 1047 O VAL A 71 -2.076 -11.701 -8.642 1.00 0.00 O ATOM 1048 CB VAL A 71 -2.256 -14.803 -7.877 1.00 0.00 C ATOM 1049 CG1 VAL A 71 -1.623 -14.531 -9.233 1.00 0.00 C ATOM 1050 CG2 VAL A 71 -1.428 -15.805 -7.085 1.00 0.00 C ATOM 0 H VAL A 71 -3.473 -14.625 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.457 -13.215 -6.655 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.244 -15.232 -8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.515 -15.468 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.258 -13.851 -9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.642 -14.078 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.322 -16.725 -7.660 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.442 -15.386 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.927 -16.023 -6.141 1.00 0.00 H new ATOM 1060 N ALA A 72 -4.203 -12.240 -8.145 1.00 0.00 N ATOM 1061 CA ALA A 72 -4.780 -11.223 -9.015 1.00 0.00 C ATOM 1062 C ALA A 72 -4.524 -9.823 -8.468 1.00 0.00 C ATOM 1063 O ALA A 72 -4.160 -8.912 -9.212 1.00 0.00 O ATOM 1064 CB ALA A 72 -6.273 -11.460 -9.187 1.00 0.00 C ATOM 0 H ALA A 72 -4.889 -12.807 -7.646 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.297 -11.298 -9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.690 -10.693 -9.839 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.437 -12.442 -9.631 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.763 -11.415 -8.214 1.00 0.00 H new ATOM 1070 N ASP A 73 -4.718 -9.658 -7.164 1.00 0.00 N ATOM 1071 CA ASP A 73 -4.507 -8.368 -6.516 1.00 0.00 C ATOM 1072 C ASP A 73 -3.171 -7.762 -6.934 1.00 0.00 C ATOM 1073 O ASP A 73 -3.034 -6.543 -7.028 1.00 0.00 O ATOM 1074 CB ASP A 73 -4.559 -8.522 -4.996 1.00 0.00 C ATOM 1075 CG ASP A 73 -5.913 -8.999 -4.507 1.00 0.00 C ATOM 1076 OD1 ASP A 73 -6.647 -9.620 -5.305 1.00 0.00 O ATOM 1077 OD2 ASP A 73 -6.238 -8.752 -3.328 1.00 0.00 O ATOM 0 H ASP A 73 -5.021 -10.401 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.305 -7.696 -6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.792 -9.229 -4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.324 -7.566 -4.529 1.00 0.00 H new ATOM 1082 N ALA A 74 -2.189 -8.622 -7.181 1.00 0.00 N ATOM 1083 CA ALA A 74 -0.864 -8.172 -7.589 1.00 0.00 C ATOM 1084 C ALA A 74 -0.953 -7.181 -8.745 1.00 0.00 C ATOM 1085 O ALA A 74 -1.763 -7.346 -9.656 1.00 0.00 O ATOM 1086 CB ALA A 74 0.002 -9.361 -7.977 1.00 0.00 C ATOM 0 H ALA A 74 -2.286 -9.635 -7.106 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.404 -7.663 -6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.988 -9.009 -8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.102 -10.032 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.463 -9.895 -8.806 1.00 0.00 H new ATOM 1092 N GLY A 75 -0.114 -6.150 -8.700 1.00 0.00 N ATOM 1093 CA GLY A 75 -0.115 -5.147 -9.749 1.00 0.00 C ATOM 1094 C GLY A 75 0.766 -3.959 -9.417 1.00 0.00 C ATOM 1095 O GLY A 75 1.992 -4.052 -9.478 1.00 0.00 O ATOM 0 H GLY A 75 0.566 -5.992 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.226 -5.599 -10.680 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.135 -4.803 -9.917 1.00 0.00 H new ATOM 1099 N GLU A 76 0.141 -2.840 -9.066 1.00 0.00 N ATOM 1100 CA GLU A 76 0.878 -1.628 -8.725 1.00 0.00 C ATOM 1101 C GLU A 76 0.030 -0.700 -7.860 1.00 0.00 C ATOM 1102 O GLU A 76 -0.914 -0.075 -8.343 1.00 0.00 O ATOM 1103 CB GLU A 76 1.318 -0.898 -9.996 1.00 0.00 C ATOM 1104 CG GLU A 76 1.924 0.470 -9.733 1.00 0.00 C ATOM 1105 CD GLU A 76 2.435 1.134 -10.997 1.00 0.00 C ATOM 1106 OE1 GLU A 76 3.408 0.619 -11.587 1.00 0.00 O ATOM 1107 OE2 GLU A 76 1.861 2.169 -11.395 1.00 0.00 O ATOM 0 H GLU A 76 -0.873 -2.747 -9.010 1.00 0.00 H new ATOM 0 HA GLU A 76 1.762 -1.919 -8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.046 -1.513 -10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.458 -0.784 -10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.176 1.111 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.745 0.369 -9.023 1.00 0.00 H new ATOM 1114 N TYR A 77 0.373 -0.617 -6.580 1.00 0.00 N ATOM 1115 CA TYR A 77 -0.358 0.231 -5.646 1.00 0.00 C ATOM 1116 C TYR A 77 0.301 1.602 -5.526 1.00 0.00 C ATOM 1117 O TYR A 77 1.523 1.709 -5.423 1.00 0.00 O ATOM 1118 CB TYR A 77 -0.432 -0.434 -4.271 1.00 0.00 C ATOM 1119 CG TYR A 77 -1.380 -1.610 -4.218 1.00 0.00 C ATOM 1120 CD1 TYR A 77 -1.155 -2.744 -4.988 1.00 0.00 C ATOM 1121 CD2 TYR A 77 -2.500 -1.588 -3.396 1.00 0.00 C ATOM 1122 CE1 TYR A 77 -2.020 -3.821 -4.944 1.00 0.00 C ATOM 1123 CE2 TYR A 77 -3.369 -2.661 -3.343 1.00 0.00 C ATOM 1124 CZ TYR A 77 -3.125 -3.775 -4.119 1.00 0.00 C ATOM 1125 OH TYR A 77 -3.987 -4.846 -4.070 1.00 0.00 O ATOM 0 H TYR A 77 1.153 -1.127 -6.165 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.369 0.366 -6.031 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.565 -0.768 -3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.744 0.307 -3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.289 -2.785 -5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.695 -0.717 -2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.832 -4.694 -5.552 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.234 -2.628 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.712 -4.654 -3.440 1.00 0.00 H new ATOM 1135 N SER A 78 -0.518 2.648 -5.539 1.00 0.00 N ATOM 1136 CA SER A 78 -0.017 4.014 -5.434 1.00 0.00 C ATOM 1137 C SER A 78 -0.644 4.733 -4.244 1.00 0.00 C ATOM 1138 O SER A 78 -1.824 4.547 -3.944 1.00 0.00 O ATOM 1139 CB SER A 78 -0.307 4.786 -6.723 1.00 0.00 C ATOM 1140 OG SER A 78 -0.407 3.910 -7.831 1.00 0.00 O ATOM 0 H SER A 78 -1.532 2.576 -5.621 1.00 0.00 H new ATOM 0 HA SER A 78 1.061 3.969 -5.281 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.236 5.346 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.485 5.513 -6.901 1.00 0.00 H new ATOM 0 HG SER A 78 -1.230 4.102 -8.327 1.00 0.00 H new ATOM 1146 N CYS A 79 0.153 5.555 -3.570 1.00 0.00 N ATOM 1147 CA CYS A 79 -0.322 6.302 -2.412 1.00 0.00 C ATOM 1148 C CYS A 79 -0.343 7.800 -2.702 1.00 0.00 C ATOM 1149 O CYS A 79 0.706 8.434 -2.822 1.00 0.00 O ATOM 1150 CB CYS A 79 0.563 6.018 -1.197 1.00 0.00 C ATOM 1151 SG CYS A 79 -0.300 6.133 0.388 1.00 0.00 S ATOM 0 H CYS A 79 1.131 5.721 -3.806 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.340 5.978 -2.195 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.987 5.019 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.397 6.720 -1.196 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.407 4.948 0.911 1.00 0.00 H new ATOM 1157 N VAL A 80 -1.543 8.359 -2.816 1.00 0.00 N ATOM 1158 CA VAL A 80 -1.701 9.782 -3.093 1.00 0.00 C ATOM 1159 C VAL A 80 -1.845 10.580 -1.802 1.00 0.00 C ATOM 1160 O VAL A 80 -2.414 10.098 -0.822 1.00 0.00 O ATOM 1161 CB VAL A 80 -2.926 10.047 -3.987 1.00 0.00 C ATOM 1162 CG1 VAL A 80 -2.963 11.503 -4.425 1.00 0.00 C ATOM 1163 CG2 VAL A 80 -2.917 9.119 -5.192 1.00 0.00 C ATOM 0 H VAL A 80 -2.421 7.848 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.802 10.104 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.827 9.844 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.836 11.671 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.021 12.146 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.059 11.737 -4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.790 9.320 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.011 9.287 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.943 8.083 -4.854 1.00 0.00 H new ATOM 1173 N CYS A 81 -1.327 11.803 -1.809 1.00 0.00 N ATOM 1174 CA CYS A 81 -1.397 12.670 -0.637 1.00 0.00 C ATOM 1175 C CYS A 81 -2.004 14.022 -0.998 1.00 0.00 C ATOM 1176 O CYS A 81 -2.767 14.598 -0.223 1.00 0.00 O ATOM 1177 CB CYS A 81 -0.004 12.866 -0.038 1.00 0.00 C ATOM 1178 SG CYS A 81 0.023 13.905 1.441 1.00 0.00 S ATOM 0 H CYS A 81 -0.854 12.217 -2.612 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.038 12.190 0.103 1.00 0.00 H new ATOM 0 HB2 CYS A 81 0.414 11.890 0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 81 0.645 13.310 -0.793 1.00 0.00 H new ATOM 0 HG CYS A 81 1.117 14.607 1.458 1.00 0.00 H new ATOM 1184 N GLY A 82 -1.658 14.525 -2.179 1.00 0.00 N ATOM 1185 CA GLY A 82 -2.176 15.806 -2.620 1.00 0.00 C ATOM 1186 C GLY A 82 -1.824 16.108 -4.064 1.00 0.00 C ATOM 1187 O GLY A 82 -2.664 15.976 -4.953 1.00 0.00 O ATOM 0 H GLY A 82 -1.028 14.068 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.260 15.816 -2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.780 16.594 -1.980 1.00 0.00 H new ATOM 1191 N GLU A 83 -0.580 16.515 -4.296 1.00 0.00 N ATOM 1192 CA GLU A 83 -0.121 16.838 -5.642 1.00 0.00 C ATOM 1193 C GLU A 83 0.757 15.722 -6.200 1.00 0.00 C ATOM 1194 O GLU A 83 0.821 15.516 -7.411 1.00 0.00 O ATOM 1195 CB GLU A 83 0.653 18.158 -5.637 1.00 0.00 C ATOM 1196 CG GLU A 83 -0.208 19.368 -5.315 1.00 0.00 C ATOM 1197 CD GLU A 83 0.525 20.678 -5.530 1.00 0.00 C ATOM 1198 OE1 GLU A 83 1.154 20.837 -6.597 1.00 0.00 O ATOM 1199 OE2 GLU A 83 0.469 21.544 -4.632 1.00 0.00 O ATOM 0 H GLU A 83 0.127 16.629 -3.570 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.997 16.941 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.461 18.093 -4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.116 18.302 -6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.102 19.349 -5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.540 19.308 -4.279 1.00 0.00 H new ATOM 1206 N GLU A 84 1.432 15.005 -5.306 1.00 0.00 N ATOM 1207 CA GLU A 84 2.308 13.911 -5.710 1.00 0.00 C ATOM 1208 C GLU A 84 1.621 12.563 -5.512 1.00 0.00 C ATOM 1209 O GLU A 84 0.537 12.486 -4.933 1.00 0.00 O ATOM 1210 CB GLU A 84 3.613 13.953 -4.913 1.00 0.00 C ATOM 1211 CG GLU A 84 3.406 14.028 -3.410 1.00 0.00 C ATOM 1212 CD GLU A 84 3.261 15.452 -2.911 1.00 0.00 C ATOM 1213 OE1 GLU A 84 4.214 16.241 -3.080 1.00 0.00 O ATOM 1214 OE2 GLU A 84 2.192 15.778 -2.352 1.00 0.00 O ATOM 0 H GLU A 84 1.389 15.162 -4.299 1.00 0.00 H new ATOM 0 HA GLU A 84 2.534 14.032 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.200 13.065 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.197 14.815 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.515 13.460 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.249 13.555 -2.907 1.00 0.00 H new ATOM 1221 N ARG A 85 2.259 11.503 -5.997 1.00 0.00 N ATOM 1222 CA ARG A 85 1.709 10.158 -5.875 1.00 0.00 C ATOM 1223 C ARG A 85 2.750 9.109 -6.257 1.00 0.00 C ATOM 1224 O ARG A 85 3.195 9.048 -7.404 1.00 0.00 O ATOM 1225 CB ARG A 85 0.471 10.009 -6.760 1.00 0.00 C ATOM 1226 CG ARG A 85 0.026 8.567 -6.947 1.00 0.00 C ATOM 1227 CD ARG A 85 -0.956 8.432 -8.100 1.00 0.00 C ATOM 1228 NE ARG A 85 -0.823 7.150 -8.786 1.00 0.00 N ATOM 1229 CZ ARG A 85 -1.292 6.917 -10.006 1.00 0.00 C ATOM 1230 NH1 ARG A 85 -1.922 7.875 -10.672 1.00 0.00 N ATOM 1231 NH2 ARG A 85 -1.132 5.723 -10.564 1.00 0.00 N ATOM 0 H ARG A 85 3.157 11.549 -6.478 1.00 0.00 H new ATOM 0 HA ARG A 85 1.425 10.001 -4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.349 10.580 -6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.678 10.446 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.896 7.938 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.437 8.206 -6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.973 8.538 -7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.793 9.242 -8.811 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.343 6.392 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.047 8.794 -10.247 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.281 7.693 -11.609 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.648 4.983 -10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.493 5.546 -11.501 1.00 0.00 H new ATOM 1245 N THR A 86 3.135 8.285 -5.287 1.00 0.00 N ATOM 1246 CA THR A 86 4.124 7.240 -5.520 1.00 0.00 C ATOM 1247 C THR A 86 3.453 5.911 -5.848 1.00 0.00 C ATOM 1248 O THR A 86 2.252 5.743 -5.637 1.00 0.00 O ATOM 1249 CB THR A 86 5.041 7.051 -4.297 1.00 0.00 C ATOM 1250 OG1 THR A 86 6.053 6.082 -4.589 1.00 0.00 O ATOM 1251 CG2 THR A 86 4.239 6.605 -3.084 1.00 0.00 C ATOM 0 H THR A 86 2.777 8.321 -4.333 1.00 0.00 H new ATOM 0 HA THR A 86 4.726 7.559 -6.370 1.00 0.00 H new ATOM 0 HB THR A 86 5.510 8.008 -4.070 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.801 5.218 -4.201 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.908 6.478 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.488 7.359 -2.847 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.745 5.658 -3.302 1.00 0.00 H new ATOM 1259 N SER A 87 4.236 4.969 -6.364 1.00 0.00 N ATOM 1260 CA SER A 87 3.716 3.656 -6.724 1.00 0.00 C ATOM 1261 C SER A 87 4.708 2.558 -6.353 1.00 0.00 C ATOM 1262 O SER A 87 5.918 2.785 -6.321 1.00 0.00 O ATOM 1263 CB SER A 87 3.410 3.597 -8.222 1.00 0.00 C ATOM 1264 OG SER A 87 4.426 4.236 -8.975 1.00 0.00 O ATOM 0 H SER A 87 5.233 5.091 -6.542 1.00 0.00 H new ATOM 0 HA SER A 87 2.794 3.493 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.319 2.558 -8.537 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.451 4.076 -8.420 1.00 0.00 H new ATOM 0 HG SER A 87 4.208 4.183 -9.929 1.00 0.00 H new ATOM 1270 N ALA A 88 4.188 1.368 -6.073 1.00 0.00 N ATOM 1271 CA ALA A 88 5.027 0.234 -5.706 1.00 0.00 C ATOM 1272 C ALA A 88 4.434 -1.076 -6.214 1.00 0.00 C ATOM 1273 O ALA A 88 3.321 -1.451 -5.844 1.00 0.00 O ATOM 1274 CB ALA A 88 5.212 0.181 -4.197 1.00 0.00 C ATOM 0 H ALA A 88 3.189 1.164 -6.093 1.00 0.00 H new ATOM 0 HA ALA A 88 6.001 0.368 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.841 -0.671 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.688 1.101 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.240 0.075 -3.715 1.00 0.00 H new ATOM 1280 N THR A 89 5.183 -1.768 -7.067 1.00 0.00 N ATOM 1281 CA THR A 89 4.730 -3.034 -7.628 1.00 0.00 C ATOM 1282 C THR A 89 4.503 -4.071 -6.534 1.00 0.00 C ATOM 1283 O THR A 89 5.301 -4.191 -5.603 1.00 0.00 O ATOM 1284 CB THR A 89 5.744 -3.592 -8.645 1.00 0.00 C ATOM 1285 OG1 THR A 89 6.100 -2.577 -9.590 1.00 0.00 O ATOM 1286 CG2 THR A 89 5.169 -4.795 -9.378 1.00 0.00 C ATOM 0 H THR A 89 6.106 -1.472 -7.384 1.00 0.00 H new ATOM 0 HA THR A 89 3.787 -2.835 -8.137 1.00 0.00 H new ATOM 0 HB THR A 89 6.634 -3.909 -8.101 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.746 -2.939 -10.232 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.903 -5.172 -10.091 1.00 0.00 H new ATOM 0 HG22 THR A 89 4.927 -5.577 -8.659 1.00 0.00 H new ATOM 0 HG23 THR A 89 4.265 -4.499 -9.910 1.00 0.00 H new ATOM 1294 N LEU A 90 3.410 -4.817 -6.651 1.00 0.00 N ATOM 1295 CA LEU A 90 3.078 -5.845 -5.670 1.00 0.00 C ATOM 1296 C LEU A 90 3.027 -7.223 -6.323 1.00 0.00 C ATOM 1297 O LEU A 90 2.115 -7.524 -7.095 1.00 0.00 O ATOM 1298 CB LEU A 90 1.735 -5.532 -5.008 1.00 0.00 C ATOM 1299 CG LEU A 90 1.184 -6.603 -4.067 1.00 0.00 C ATOM 1300 CD1 LEU A 90 2.023 -6.684 -2.801 1.00 0.00 C ATOM 1301 CD2 LEU A 90 -0.271 -6.317 -3.727 1.00 0.00 C ATOM 0 H LEU A 90 2.739 -4.730 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 90 3.858 -5.852 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.837 -4.602 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.999 -5.353 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 90 1.235 -7.566 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.616 -7.452 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.051 -6.937 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.005 -5.721 -2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.647 -7.090 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.346 -5.345 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.864 -6.311 -4.642 1.00 0.00 H new ATOM 1313 N THR A 91 4.010 -8.060 -6.005 1.00 0.00 N ATOM 1314 CA THR A 91 4.077 -9.406 -6.559 1.00 0.00 C ATOM 1315 C THR A 91 3.474 -10.426 -5.600 1.00 0.00 C ATOM 1316 O THR A 91 3.865 -10.504 -4.435 1.00 0.00 O ATOM 1317 CB THR A 91 5.529 -9.812 -6.876 1.00 0.00 C ATOM 1318 OG1 THR A 91 6.101 -8.894 -7.814 1.00 0.00 O ATOM 1319 CG2 THR A 91 5.585 -11.223 -7.441 1.00 0.00 C ATOM 0 H THR A 91 4.771 -7.829 -5.366 1.00 0.00 H new ATOM 0 HA THR A 91 3.500 -9.396 -7.484 1.00 0.00 H new ATOM 0 HB THR A 91 6.101 -9.786 -5.948 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.024 -9.158 -8.009 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.620 -11.488 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.176 -11.923 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.999 -11.271 -8.359 1.00 0.00 H new ATOM 1327 N VAL A 92 2.519 -11.206 -6.096 1.00 0.00 N ATOM 1328 CA VAL A 92 1.863 -12.223 -5.283 1.00 0.00 C ATOM 1329 C VAL A 92 2.236 -13.626 -5.750 1.00 0.00 C ATOM 1330 O VAL A 92 2.418 -13.867 -6.944 1.00 0.00 O ATOM 1331 CB VAL A 92 0.331 -12.071 -5.322 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -0.339 -13.219 -4.583 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -0.086 -10.732 -4.734 1.00 0.00 C ATOM 0 H VAL A 92 2.182 -11.153 -7.057 1.00 0.00 H new ATOM 0 HA VAL A 92 2.209 -12.081 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 92 0.007 -12.102 -6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.421 -13.094 -4.621 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.066 -14.163 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.011 -13.223 -3.544 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.172 -10.641 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.250 -10.669 -3.699 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.365 -9.925 -5.312 1.00 0.00 H new ATOM 1343 N LYS A 93 2.348 -14.549 -4.801 1.00 0.00 N ATOM 1344 CA LYS A 93 2.697 -15.930 -5.114 1.00 0.00 C ATOM 1345 C LYS A 93 1.502 -16.854 -4.905 1.00 0.00 C ATOM 1346 O LYS A 93 0.405 -16.402 -4.580 1.00 0.00 O ATOM 1347 CB LYS A 93 3.870 -16.390 -4.246 1.00 0.00 C ATOM 1348 CG LYS A 93 5.042 -15.424 -4.245 1.00 0.00 C ATOM 1349 CD LYS A 93 5.870 -15.550 -5.512 1.00 0.00 C ATOM 1350 CE LYS A 93 5.385 -14.597 -6.593 1.00 0.00 C ATOM 1351 NZ LYS A 93 6.409 -14.393 -7.654 1.00 0.00 N ATOM 0 H LYS A 93 2.202 -14.366 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 93 2.990 -15.976 -6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.522 -16.526 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 93 4.212 -17.363 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.673 -14.403 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.672 -15.616 -3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.916 -15.343 -5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.820 -16.575 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.472 -14.990 -7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.132 -13.637 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.039 -13.737 -8.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.272 -13.994 -7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.632 -15.305 -8.101 1.00 0.00 H new ATOM 1365 N ALA A 94 1.723 -18.151 -5.092 1.00 0.00 N ATOM 1366 CA ALA A 94 0.666 -19.139 -4.920 1.00 0.00 C ATOM 1367 C ALA A 94 0.936 -20.028 -3.710 1.00 0.00 C ATOM 1368 O ALA A 94 1.834 -20.870 -3.734 1.00 0.00 O ATOM 1369 CB ALA A 94 0.523 -19.984 -6.177 1.00 0.00 C ATOM 0 H ALA A 94 2.625 -18.542 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.269 -18.607 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.270 -20.718 -6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.275 -19.341 -7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 94 1.462 -20.500 -6.378 1.00 0.00 H new ATOM 1375 N LEU A 95 0.154 -19.834 -2.654 1.00 0.00 N ATOM 1376 CA LEU A 95 0.310 -20.618 -1.433 1.00 0.00 C ATOM 1377 C LEU A 95 0.257 -22.113 -1.735 1.00 0.00 C ATOM 1378 O LEU A 95 -0.475 -22.568 -2.615 1.00 0.00 O ATOM 1379 CB LEU A 95 -0.781 -20.252 -0.425 1.00 0.00 C ATOM 1380 CG LEU A 95 -2.206 -20.658 -0.801 1.00 0.00 C ATOM 1381 CD1 LEU A 95 -2.498 -22.075 -0.334 1.00 0.00 C ATOM 1382 CD2 LEU A 95 -3.213 -19.681 -0.210 1.00 0.00 C ATOM 0 H LEU A 95 -0.594 -19.141 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 95 1.285 -20.386 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.534 -20.713 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.760 -19.173 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.297 -20.629 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.517 -22.347 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.798 -22.765 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.389 -22.131 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.222 -19.986 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.122 -19.677 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.018 -18.680 -0.594 1.00 0.00 H new ATOM 1394 N PRO A 96 1.049 -22.896 -0.989 1.00 0.00 N ATOM 1395 CA PRO A 96 1.109 -24.351 -1.157 1.00 0.00 C ATOM 1396 C PRO A 96 -0.171 -25.040 -0.697 1.00 0.00 C ATOM 1397 O PRO A 96 -0.645 -25.980 -1.335 1.00 0.00 O ATOM 1398 CB PRO A 96 2.286 -24.763 -0.269 1.00 0.00 C ATOM 1399 CG PRO A 96 2.377 -23.690 0.761 1.00 0.00 C ATOM 1400 CD PRO A 96 1.948 -22.422 0.077 1.00 0.00 C ATOM 0 HA PRO A 96 1.226 -24.636 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.115 -25.737 0.188 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.209 -24.839 -0.844 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.733 -23.911 1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.394 -23.602 1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.436 -21.748 0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.800 -21.876 -0.329 1.00 0.00 H new ATOM 1408 N SER A 97 -0.727 -24.567 0.414 1.00 0.00 N ATOM 1409 CA SER A 97 -1.951 -25.140 0.961 1.00 0.00 C ATOM 1410 C SER A 97 -1.669 -26.479 1.637 1.00 0.00 C ATOM 1411 O SER A 97 -2.429 -27.434 1.488 1.00 0.00 O ATOM 1412 CB SER A 97 -2.992 -25.324 -0.145 1.00 0.00 C ATOM 1413 OG SER A 97 -4.305 -25.335 0.388 1.00 0.00 O ATOM 0 H SER A 97 -0.349 -23.788 0.953 1.00 0.00 H new ATOM 0 HA SER A 97 -2.343 -24.450 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.899 -24.519 -0.874 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.803 -26.258 -0.675 1.00 0.00 H new ATOM 0 HG SER A 97 -4.952 -25.452 -0.339 1.00 0.00 H new ATOM 1419 N GLY A 98 -0.569 -26.539 2.381 1.00 0.00 N ATOM 1420 CA GLY A 98 -0.204 -27.764 3.069 1.00 0.00 C ATOM 1421 C GLY A 98 0.845 -27.538 4.139 1.00 0.00 C ATOM 1422 O GLY A 98 1.576 -26.547 4.122 1.00 0.00 O ATOM 0 H GLY A 98 0.076 -25.761 2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.093 -28.201 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.171 -28.486 2.344 1.00 0.00 H new ATOM 1426 N PRO A 99 0.928 -28.471 5.099 1.00 0.00 N ATOM 1427 CA PRO A 99 1.891 -28.390 6.201 1.00 0.00 C ATOM 1428 C PRO A 99 3.327 -28.604 5.732 1.00 0.00 C ATOM 1429 O PRO A 99 4.257 -28.618 6.538 1.00 0.00 O ATOM 1430 CB PRO A 99 1.459 -29.524 7.134 1.00 0.00 C ATOM 1431 CG PRO A 99 0.759 -30.497 6.249 1.00 0.00 C ATOM 1432 CD PRO A 99 0.088 -29.678 5.182 1.00 0.00 C ATOM 0 HA PRO A 99 1.889 -27.407 6.673 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.318 -29.982 7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 99 0.799 -29.159 7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.464 -31.204 5.812 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.029 -31.080 6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.053 -30.209 4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -0.940 -29.434 5.450 1.00 0.00 H new ATOM 1440 N SER A 100 3.499 -28.770 4.425 1.00 0.00 N ATOM 1441 CA SER A 100 4.822 -28.987 3.850 1.00 0.00 C ATOM 1442 C SER A 100 5.612 -27.683 3.799 1.00 0.00 C ATOM 1443 O SER A 100 6.086 -27.272 2.740 1.00 0.00 O ATOM 1444 CB SER A 100 4.699 -29.577 2.444 1.00 0.00 C ATOM 1445 OG SER A 100 5.868 -30.295 2.088 1.00 0.00 O ATOM 0 H SER A 100 2.740 -28.758 3.744 1.00 0.00 H new ATOM 0 HA SER A 100 5.357 -29.691 4.487 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.834 -30.239 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.527 -28.777 1.724 1.00 0.00 H new ATOM 0 HG SER A 100 5.764 -30.663 1.186 1.00 0.00 H new ATOM 1451 N SER A 101 5.749 -27.036 4.952 1.00 0.00 N ATOM 1452 CA SER A 101 6.478 -25.776 5.039 1.00 0.00 C ATOM 1453 C SER A 101 7.957 -26.023 5.323 1.00 0.00 C ATOM 1454 O SER A 101 8.362 -26.180 6.473 1.00 0.00 O ATOM 1455 CB SER A 101 5.879 -24.890 6.133 1.00 0.00 C ATOM 1456 OG SER A 101 6.238 -23.532 5.944 1.00 0.00 O ATOM 0 H SER A 101 5.365 -27.363 5.838 1.00 0.00 H new ATOM 0 HA SER A 101 6.389 -25.267 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.793 -24.986 6.129 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.225 -25.228 7.110 1.00 0.00 H new ATOM 0 HG SER A 101 5.841 -22.987 6.655 1.00 0.00 H new ATOM 1462 N GLY A 102 8.759 -26.055 4.263 1.00 0.00 N ATOM 1463 CA GLY A 102 10.184 -26.283 4.417 1.00 0.00 C ATOM 1464 C GLY A 102 10.493 -27.330 5.468 1.00 0.00 C ATOM 1465 O GLY A 102 9.812 -28.352 5.555 1.00 0.00 O ATOM 0 H GLY A 102 8.447 -25.927 3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.604 -26.597 3.461 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.672 -25.346 4.687 1.00 0.00 H new TER 1469 GLY A 102