USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 754 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 82 THR OG1 : rot -82:sc= 1.15! USER MOD Set 1.2: A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 48 GLN : amide:sc= -0.0893 K(o=0.075,f=-1.2) USER MOD Set 2.2: A 61 SER OG : rot -115:sc= 0.164 USER MOD Set 3.1: A 18 SER OG : rot -53:sc= -0.907 USER MOD Set 3.2: A 68 LYS NZ :NH3+ -133:sc= -3.34! (180deg=-6.65!) USER MOD Single : A 15 LYS NZ :NH3+ -163:sc= -0.136 (180deg=-0.755) USER MOD Single : A 21 SER OG : rot 81:sc= 1.16 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.951 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : A 43 THR OG1 : rot 58:sc= 0.0591 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.412 USER MOD Single : A 57 SER OG : rot -68:sc= 0.443 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.51! C(o=-1.5!,f=-2.5!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.141 K(o=-0.14,f=-2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= -3.34! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -48:sc= 0.198 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0.04) USER MOD ----------------------------------------------------------------- ATOM 111 N GLU A 11 10.530 1.387 -10.930 1.00 0.00 N ATOM 112 CA GLU A 11 9.361 2.184 -11.256 1.00 0.00 C ATOM 113 C GLU A 11 8.220 1.875 -10.284 1.00 0.00 C ATOM 114 O GLU A 11 7.547 2.785 -9.801 1.00 0.00 O ATOM 115 CB GLU A 11 8.924 1.952 -12.704 1.00 0.00 C ATOM 116 CG GLU A 11 8.169 0.628 -12.844 1.00 0.00 C ATOM 117 CD GLU A 11 7.932 0.285 -14.316 1.00 0.00 C ATOM 118 OE1 GLU A 11 8.940 0.202 -15.049 1.00 0.00 O ATOM 119 OE2 GLU A 11 6.747 0.113 -14.675 1.00 0.00 O ATOM 0 HA GLU A 11 9.625 3.237 -11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.288 2.774 -13.032 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.798 1.947 -13.355 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.737 -0.171 -12.368 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.213 0.693 -12.324 1.00 0.00 H new ATOM 126 N LEU A 12 8.038 0.588 -10.026 1.00 0.00 N ATOM 127 CA LEU A 12 6.990 0.148 -9.120 1.00 0.00 C ATOM 128 C LEU A 12 7.518 0.178 -7.683 1.00 0.00 C ATOM 129 O LEU A 12 6.872 0.725 -6.793 1.00 0.00 O ATOM 130 CB LEU A 12 6.451 -1.218 -9.548 1.00 0.00 C ATOM 131 CG LEU A 12 5.972 -1.326 -10.997 1.00 0.00 C ATOM 132 CD1 LEU A 12 5.358 -2.700 -11.271 1.00 0.00 C ATOM 133 CD2 LEU A 12 5.009 -0.188 -11.343 1.00 0.00 C ATOM 0 H LEU A 12 8.598 -0.164 -10.428 1.00 0.00 H new ATOM 0 HA LEU A 12 6.139 0.828 -9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.232 -1.961 -9.388 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.622 -1.481 -8.891 1.00 0.00 H new ATOM 0 HG LEU A 12 6.838 -1.225 -11.651 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.026 -2.750 -12.308 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.104 -3.474 -11.091 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.506 -2.856 -10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.684 -0.289 -12.378 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.142 -0.232 -10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.515 0.769 -11.213 1.00 0.00 H new ATOM 145 N LEU A 13 8.688 -0.417 -7.505 1.00 0.00 N ATOM 146 CA LEU A 13 9.310 -0.466 -6.193 1.00 0.00 C ATOM 147 C LEU A 13 9.362 0.946 -5.605 1.00 0.00 C ATOM 148 O LEU A 13 9.583 1.916 -6.330 1.00 0.00 O ATOM 149 CB LEU A 13 10.676 -1.150 -6.272 1.00 0.00 C ATOM 150 CG LEU A 13 10.915 -2.289 -5.278 1.00 0.00 C ATOM 151 CD1 LEU A 13 12.342 -2.826 -5.392 1.00 0.00 C ATOM 152 CD2 LEU A 13 10.581 -1.850 -3.851 1.00 0.00 C ATOM 0 H LEU A 13 9.222 -0.869 -8.247 1.00 0.00 H new ATOM 0 HA LEU A 13 8.714 -1.074 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.806 -1.542 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.447 -0.395 -6.121 1.00 0.00 H new ATOM 0 HG LEU A 13 10.242 -3.108 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.485 -3.634 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.510 -3.202 -6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.050 -2.025 -5.181 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.759 -2.678 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.212 -1.006 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.533 -1.554 -3.797 1.00 0.00 H new ATOM 164 N GLY A 14 9.157 1.017 -4.299 1.00 0.00 N ATOM 165 CA GLY A 14 9.179 2.294 -3.606 1.00 0.00 C ATOM 166 C GLY A 14 7.982 3.158 -4.011 1.00 0.00 C ATOM 167 O GLY A 14 7.996 4.372 -3.820 1.00 0.00 O ATOM 0 H GLY A 14 8.975 0.211 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.164 2.128 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.106 2.820 -3.835 1.00 0.00 H new ATOM 171 N LYS A 15 6.975 2.495 -4.561 1.00 0.00 N ATOM 172 CA LYS A 15 5.773 3.187 -4.994 1.00 0.00 C ATOM 173 C LYS A 15 4.546 2.483 -4.411 1.00 0.00 C ATOM 174 O LYS A 15 4.614 1.309 -4.048 1.00 0.00 O ATOM 175 CB LYS A 15 5.745 3.309 -6.519 1.00 0.00 C ATOM 176 CG LYS A 15 4.605 2.478 -7.114 1.00 0.00 C ATOM 177 CD LYS A 15 4.439 2.766 -8.608 1.00 0.00 C ATOM 178 CE LYS A 15 3.712 1.618 -9.310 1.00 0.00 C ATOM 179 NZ LYS A 15 2.273 1.627 -8.966 1.00 0.00 N ATOM 0 H LYS A 15 6.967 1.487 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 15 5.765 4.209 -4.615 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.624 4.355 -6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.697 2.975 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.807 1.417 -6.965 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.675 2.702 -6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.880 3.692 -8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.418 2.915 -9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.834 1.709 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.156 0.666 -9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.854 0.705 -9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.161 1.808 -7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.792 2.374 -9.506 1.00 0.00 H new ATOM 193 N VAL A 16 3.454 3.228 -4.337 1.00 0.00 N ATOM 194 CA VAL A 16 2.214 2.690 -3.803 1.00 0.00 C ATOM 195 C VAL A 16 1.595 1.736 -4.826 1.00 0.00 C ATOM 196 O VAL A 16 1.572 2.031 -6.020 1.00 0.00 O ATOM 197 CB VAL A 16 1.276 3.832 -3.406 1.00 0.00 C ATOM 198 CG1 VAL A 16 -0.149 3.320 -3.191 1.00 0.00 C ATOM 199 CG2 VAL A 16 1.791 4.557 -2.161 1.00 0.00 C ATOM 0 H VAL A 16 3.401 4.201 -4.638 1.00 0.00 H new ATOM 0 HA VAL A 16 2.406 2.115 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 16 1.255 4.549 -4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.796 4.151 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.517 2.870 -4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.151 2.573 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.106 5.364 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.856 3.854 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.779 4.971 -2.363 1.00 0.00 H new ATOM 209 N VAL A 17 1.109 0.612 -4.321 1.00 0.00 N ATOM 210 CA VAL A 17 0.492 -0.387 -5.176 1.00 0.00 C ATOM 211 C VAL A 17 -0.739 -0.963 -4.474 1.00 0.00 C ATOM 212 O VAL A 17 -0.894 -0.814 -3.263 1.00 0.00 O ATOM 213 CB VAL A 17 1.517 -1.457 -5.557 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.537 -0.907 -6.558 1.00 0.00 C ATOM 215 CG2 VAL A 17 2.214 -2.014 -4.314 1.00 0.00 C ATOM 0 H VAL A 17 1.130 0.371 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 17 0.154 0.066 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 17 0.984 -2.277 -6.038 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.254 -1.687 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.021 -0.580 -7.461 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.063 -0.062 -6.114 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.938 -2.773 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.728 -1.207 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.473 -2.460 -3.651 1.00 0.00 H new ATOM 225 N SER A 18 -1.584 -1.609 -5.264 1.00 0.00 N ATOM 226 CA SER A 18 -2.797 -2.208 -4.734 1.00 0.00 C ATOM 227 C SER A 18 -2.595 -3.712 -4.538 1.00 0.00 C ATOM 228 O SER A 18 -2.134 -4.404 -5.445 1.00 0.00 O ATOM 229 CB SER A 18 -3.989 -1.948 -5.657 1.00 0.00 C ATOM 230 OG SER A 18 -3.762 -2.440 -6.974 1.00 0.00 O ATOM 0 H SER A 18 -1.452 -1.731 -6.268 1.00 0.00 H new ATOM 0 HA SER A 18 -3.012 -1.748 -3.770 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.879 -2.421 -5.242 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.188 -0.877 -5.699 1.00 0.00 H new ATOM 0 HG SER A 18 -2.919 -2.077 -7.318 1.00 0.00 H new ATOM 236 N VAL A 19 -2.949 -4.174 -3.348 1.00 0.00 N ATOM 237 CA VAL A 19 -2.813 -5.583 -3.022 1.00 0.00 C ATOM 238 C VAL A 19 -4.189 -6.251 -3.078 1.00 0.00 C ATOM 239 O VAL A 19 -5.119 -5.824 -2.394 1.00 0.00 O ATOM 240 CB VAL A 19 -2.127 -5.742 -1.664 1.00 0.00 C ATOM 241 CG1 VAL A 19 -2.270 -7.173 -1.141 1.00 0.00 C ATOM 242 CG2 VAL A 19 -0.655 -5.331 -1.741 1.00 0.00 C ATOM 0 H VAL A 19 -3.330 -3.597 -2.598 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.178 -6.084 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.624 -5.076 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.773 -7.258 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.327 -7.415 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.812 -7.866 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.191 -5.454 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.140 -5.959 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.584 -4.287 -2.048 1.00 0.00 H new ATOM 252 N VAL A 20 -4.276 -7.287 -3.898 1.00 0.00 N ATOM 253 CA VAL A 20 -5.522 -8.019 -4.052 1.00 0.00 C ATOM 254 C VAL A 20 -5.617 -9.091 -2.965 1.00 0.00 C ATOM 255 O VAL A 20 -4.709 -9.905 -2.811 1.00 0.00 O ATOM 256 CB VAL A 20 -5.621 -8.590 -5.468 1.00 0.00 C ATOM 257 CG1 VAL A 20 -7.033 -9.107 -5.752 1.00 0.00 C ATOM 258 CG2 VAL A 20 -5.197 -7.554 -6.510 1.00 0.00 C ATOM 0 H VAL A 20 -3.503 -7.638 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.375 -7.353 -3.925 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.934 -9.433 -5.537 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.077 -9.508 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.283 -9.893 -5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.747 -8.289 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.277 -7.987 -7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.846 -6.681 -6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.165 -7.255 -6.326 1.00 0.00 H new ATOM 268 N SER A 21 -6.726 -9.057 -2.241 1.00 0.00 N ATOM 269 CA SER A 21 -6.952 -10.016 -1.173 1.00 0.00 C ATOM 270 C SER A 21 -7.350 -11.370 -1.762 1.00 0.00 C ATOM 271 O SER A 21 -8.243 -11.447 -2.605 1.00 0.00 O ATOM 272 CB SER A 21 -8.030 -9.520 -0.206 1.00 0.00 C ATOM 273 OG SER A 21 -8.024 -8.101 -0.084 1.00 0.00 O ATOM 0 H SER A 21 -7.478 -8.380 -2.373 1.00 0.00 H new ATOM 0 HA SER A 21 -6.024 -10.129 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.009 -9.850 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.872 -9.969 0.775 1.00 0.00 H new ATOM 0 HG SER A 21 -8.500 -7.705 -0.844 1.00 0.00 H new ATOM 279 N ALA A 22 -6.667 -12.407 -1.296 1.00 0.00 N ATOM 280 CA ALA A 22 -6.938 -13.754 -1.765 1.00 0.00 C ATOM 281 C ALA A 22 -8.301 -14.210 -1.238 1.00 0.00 C ATOM 282 O ALA A 22 -8.937 -15.084 -1.825 1.00 0.00 O ATOM 283 CB ALA A 22 -5.804 -14.685 -1.332 1.00 0.00 C ATOM 0 H ALA A 22 -5.926 -12.340 -0.598 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.981 -13.778 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.008 -15.696 -1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.864 -14.335 -1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.731 -14.688 -0.244 1.00 0.00 H new ATOM 289 N THR A 23 -8.707 -13.596 -0.137 1.00 0.00 N ATOM 290 CA THR A 23 -9.982 -13.928 0.477 1.00 0.00 C ATOM 291 C THR A 23 -11.112 -13.130 -0.177 1.00 0.00 C ATOM 292 O THR A 23 -12.273 -13.533 -0.122 1.00 0.00 O ATOM 293 CB THR A 23 -9.859 -13.685 1.983 1.00 0.00 C ATOM 294 OG1 THR A 23 -9.020 -14.742 2.438 1.00 0.00 O ATOM 295 CG2 THR A 23 -11.180 -13.912 2.722 1.00 0.00 C ATOM 0 H THR A 23 -8.176 -12.871 0.346 1.00 0.00 H new ATOM 0 HA THR A 23 -10.235 -14.977 0.322 1.00 0.00 H new ATOM 0 HB THR A 23 -9.515 -12.666 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.886 -14.660 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.038 -13.726 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.936 -13.231 2.333 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.508 -14.941 2.574 1.00 0.00 H new ATOM 303 N GLU A 24 -10.733 -12.014 -0.781 1.00 0.00 N ATOM 304 CA GLU A 24 -11.700 -11.156 -1.445 1.00 0.00 C ATOM 305 C GLU A 24 -11.016 -10.332 -2.538 1.00 0.00 C ATOM 306 O GLU A 24 -10.604 -9.199 -2.300 1.00 0.00 O ATOM 307 CB GLU A 24 -12.410 -10.249 -0.439 1.00 0.00 C ATOM 308 CG GLU A 24 -13.371 -9.291 -1.147 1.00 0.00 C ATOM 309 CD GLU A 24 -14.815 -9.783 -1.040 1.00 0.00 C ATOM 310 OE1 GLU A 24 -15.384 -9.637 0.064 1.00 0.00 O ATOM 311 OE2 GLU A 24 -15.318 -10.294 -2.064 1.00 0.00 O ATOM 0 H GLU A 24 -9.769 -11.684 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.456 -11.787 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.960 -10.857 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.672 -9.679 0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.288 -8.297 -0.707 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.091 -9.200 -2.197 1.00 0.00 H new ATOM 318 N ARG A 25 -10.918 -10.935 -3.714 1.00 0.00 N ATOM 319 CA ARG A 25 -10.292 -10.271 -4.845 1.00 0.00 C ATOM 320 C ARG A 25 -10.679 -8.792 -4.874 1.00 0.00 C ATOM 321 O ARG A 25 -9.821 -7.924 -5.024 1.00 0.00 O ATOM 322 CB ARG A 25 -10.704 -10.925 -6.166 1.00 0.00 C ATOM 323 CG ARG A 25 -9.932 -12.226 -6.397 1.00 0.00 C ATOM 324 CD ARG A 25 -8.582 -11.951 -7.061 1.00 0.00 C ATOM 325 NE ARG A 25 -8.097 -13.170 -7.747 1.00 0.00 N ATOM 326 CZ ARG A 25 -8.703 -13.730 -8.802 1.00 0.00 C ATOM 327 NH1 ARG A 25 -9.822 -13.184 -9.300 1.00 0.00 N ATOM 328 NH2 ARG A 25 -8.192 -14.836 -9.360 1.00 0.00 N ATOM 0 H ARG A 25 -11.261 -11.876 -3.908 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.212 -10.365 -4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.775 -11.130 -6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.519 -10.236 -6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.777 -12.735 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.520 -12.896 -7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.679 -11.135 -7.777 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.857 -11.633 -6.312 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.248 -13.611 -7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.211 -12.342 -8.875 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.284 -13.610 -10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.341 -15.252 -8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.654 -15.262 -10.163 1.00 0.00 H new ATOM 342 N THR A 26 -11.974 -8.550 -4.728 1.00 0.00 N ATOM 343 CA THR A 26 -12.486 -7.190 -4.735 1.00 0.00 C ATOM 344 C THR A 26 -11.684 -6.312 -3.773 1.00 0.00 C ATOM 345 O THR A 26 -11.000 -5.382 -4.199 1.00 0.00 O ATOM 346 CB THR A 26 -13.979 -7.245 -4.405 1.00 0.00 C ATOM 347 OG1 THR A 26 -14.602 -7.521 -5.656 1.00 0.00 O ATOM 348 CG2 THR A 26 -14.541 -5.881 -4.002 1.00 0.00 C ATOM 0 H THR A 26 -12.683 -9.272 -4.604 1.00 0.00 H new ATOM 0 HA THR A 26 -12.371 -6.730 -5.717 1.00 0.00 H new ATOM 0 HB THR A 26 -14.145 -7.959 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.573 -7.575 -5.533 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.604 -5.977 -3.779 1.00 0.00 H new ATOM 0 HG22 THR A 26 -14.016 -5.518 -3.119 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.405 -5.175 -4.821 1.00 0.00 H new ATOM 356 N GLU A 27 -11.792 -6.639 -2.494 1.00 0.00 N ATOM 357 CA GLU A 27 -11.085 -5.891 -1.468 1.00 0.00 C ATOM 358 C GLU A 27 -9.604 -5.761 -1.832 1.00 0.00 C ATOM 359 O GLU A 27 -8.949 -6.754 -2.145 1.00 0.00 O ATOM 360 CB GLU A 27 -11.256 -6.546 -0.096 1.00 0.00 C ATOM 361 CG GLU A 27 -12.465 -5.967 0.640 1.00 0.00 C ATOM 362 CD GLU A 27 -12.064 -4.756 1.486 1.00 0.00 C ATOM 363 OE1 GLU A 27 -12.080 -3.639 0.922 1.00 0.00 O ATOM 364 OE2 GLU A 27 -11.752 -4.974 2.676 1.00 0.00 O ATOM 0 H GLU A 27 -12.358 -7.412 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.515 -4.891 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.380 -7.622 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.356 -6.393 0.499 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.228 -5.675 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.906 -6.732 1.279 1.00 0.00 H new ATOM 371 N TRP A 28 -9.121 -4.529 -1.778 1.00 0.00 N ATOM 372 CA TRP A 28 -7.730 -4.256 -2.099 1.00 0.00 C ATOM 373 C TRP A 28 -7.234 -3.158 -1.156 1.00 0.00 C ATOM 374 O TRP A 28 -7.987 -2.251 -0.804 1.00 0.00 O ATOM 375 CB TRP A 28 -7.569 -3.894 -3.577 1.00 0.00 C ATOM 376 CG TRP A 28 -8.038 -2.481 -3.926 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.236 -2.100 -4.391 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.266 -1.266 -3.817 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.293 -0.736 -4.590 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.056 -0.212 -4.229 1.00 0.00 C ATOM 381 CE3 TRP A 28 -5.943 -1.064 -3.384 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -7.613 1.116 -4.250 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -5.516 0.269 -3.410 1.00 0.00 C ATOM 384 CH2 TRP A 28 -6.299 1.341 -3.823 1.00 0.00 C ATOM 0 H TRP A 28 -9.668 -3.708 -1.517 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.118 -5.145 -1.950 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.520 -3.996 -3.853 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -8.128 -4.610 -4.179 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.055 -2.777 -4.586 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.094 -0.209 -4.938 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.307 -1.873 -3.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.251 1.923 -4.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.507 0.479 -3.086 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.895 2.343 -3.814 1.00 0.00 H new ATOM 395 N TYR A 29 -5.971 -3.276 -0.774 1.00 0.00 N ATOM 396 CA TYR A 29 -5.366 -2.304 0.121 1.00 0.00 C ATOM 397 C TYR A 29 -4.023 -1.815 -0.427 1.00 0.00 C ATOM 398 O TYR A 29 -3.291 -2.578 -1.056 1.00 0.00 O ATOM 399 CB TYR A 29 -5.128 -3.039 1.442 1.00 0.00 C ATOM 400 CG TYR A 29 -3.689 -3.521 1.635 1.00 0.00 C ATOM 401 CD1 TYR A 29 -2.748 -2.680 2.196 1.00 0.00 C ATOM 402 CD2 TYR A 29 -3.330 -4.796 1.247 1.00 0.00 C ATOM 403 CE1 TYR A 29 -1.394 -3.135 2.377 1.00 0.00 C ATOM 404 CE2 TYR A 29 -1.976 -5.250 1.429 1.00 0.00 C ATOM 405 CZ TYR A 29 -1.074 -4.397 1.985 1.00 0.00 C ATOM 406 OH TYR A 29 0.205 -4.826 2.157 1.00 0.00 O ATOM 0 H TYR A 29 -5.350 -4.030 -1.068 1.00 0.00 H new ATOM 0 HA TYR A 29 -6.012 -1.434 0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.392 -2.377 2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.798 -3.897 1.494 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.028 -1.682 2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.065 -5.453 0.807 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.648 -2.488 2.815 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.683 -6.246 1.131 1.00 0.00 H new ATOM 0 HH TYR A 29 0.287 -5.747 1.833 1.00 0.00 H new ATOM 416 N PRO A 30 -3.733 -0.514 -0.161 1.00 0.00 N ATOM 417 CA PRO A 30 -2.491 0.085 -0.619 1.00 0.00 C ATOM 418 C PRO A 30 -1.309 -0.388 0.228 1.00 0.00 C ATOM 419 O PRO A 30 -1.448 -0.603 1.431 1.00 0.00 O ATOM 420 CB PRO A 30 -2.723 1.585 -0.532 1.00 0.00 C ATOM 421 CG PRO A 30 -3.905 1.770 0.406 1.00 0.00 C ATOM 422 CD PRO A 30 -4.577 0.418 0.582 1.00 0.00 C ATOM 0 HA PRO A 30 -2.233 -0.206 -1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.838 2.096 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.935 2.005 -1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.571 2.159 1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.608 2.495 -0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.641 0.142 1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.595 0.428 0.192 1.00 0.00 H new ATOM 430 N ALA A 31 -0.170 -0.537 -0.434 1.00 0.00 N ATOM 431 CA ALA A 31 1.037 -0.980 0.243 1.00 0.00 C ATOM 432 C ALA A 31 2.259 -0.554 -0.572 1.00 0.00 C ATOM 433 O ALA A 31 2.251 -0.637 -1.799 1.00 0.00 O ATOM 434 CB ALA A 31 0.976 -2.495 0.455 1.00 0.00 C ATOM 0 H ALA A 31 -0.058 -0.359 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 31 1.119 -0.516 1.226 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.881 -2.828 0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.106 -2.742 1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.897 -2.995 -0.511 1.00 0.00 H new ATOM 440 N LEU A 32 3.280 -0.108 0.144 1.00 0.00 N ATOM 441 CA LEU A 32 4.509 0.332 -0.497 1.00 0.00 C ATOM 442 C LEU A 32 5.479 -0.847 -0.593 1.00 0.00 C ATOM 443 O LEU A 32 5.934 -1.364 0.426 1.00 0.00 O ATOM 444 CB LEU A 32 5.086 1.548 0.228 1.00 0.00 C ATOM 445 CG LEU A 32 6.222 2.281 -0.490 1.00 0.00 C ATOM 446 CD1 LEU A 32 5.850 2.575 -1.945 1.00 0.00 C ATOM 447 CD2 LEU A 32 6.620 3.550 0.267 1.00 0.00 C ATOM 0 H LEU A 32 3.282 -0.041 1.162 1.00 0.00 H new ATOM 0 HA LEU A 32 4.310 0.664 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.278 2.257 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.448 1.226 1.204 1.00 0.00 H new ATOM 0 HG LEU A 32 7.095 1.628 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.674 3.096 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.653 1.638 -2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.958 3.200 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.429 4.052 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.761 4.218 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.954 3.286 1.270 1.00 0.00 H new ATOM 459 N VAL A 33 5.768 -1.237 -1.825 1.00 0.00 N ATOM 460 CA VAL A 33 6.676 -2.344 -2.067 1.00 0.00 C ATOM 461 C VAL A 33 8.053 -2.005 -1.492 1.00 0.00 C ATOM 462 O VAL A 33 8.476 -0.849 -1.527 1.00 0.00 O ATOM 463 CB VAL A 33 6.717 -2.672 -3.561 1.00 0.00 C ATOM 464 CG1 VAL A 33 7.625 -3.873 -3.834 1.00 0.00 C ATOM 465 CG2 VAL A 33 5.309 -2.914 -4.107 1.00 0.00 C ATOM 0 H VAL A 33 5.389 -0.805 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 33 6.324 -3.243 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 33 7.135 -1.811 -4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.636 -4.085 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.637 -3.648 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.249 -4.743 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.366 -3.145 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.852 -3.750 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.704 -2.019 -3.962 1.00 0.00 H new ATOM 475 N ILE A 34 8.713 -3.030 -0.975 1.00 0.00 N ATOM 476 CA ILE A 34 10.033 -2.854 -0.395 1.00 0.00 C ATOM 477 C ILE A 34 10.744 -4.207 -0.334 1.00 0.00 C ATOM 478 O ILE A 34 10.158 -5.236 -0.668 1.00 0.00 O ATOM 479 CB ILE A 34 9.933 -2.152 0.961 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.850 -2.794 1.832 1.00 0.00 C ATOM 481 CG2 ILE A 34 9.709 -0.649 0.784 1.00 0.00 C ATOM 482 CD1 ILE A 34 8.970 -2.331 3.285 1.00 0.00 C ATOM 0 H ILE A 34 8.358 -3.986 -0.946 1.00 0.00 H new ATOM 0 HA ILE A 34 10.640 -2.202 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 34 10.882 -2.278 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.865 -2.535 1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.936 -3.880 1.784 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.641 -0.173 1.762 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.543 -0.220 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.783 -0.481 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.189 -2.802 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.947 -2.613 3.677 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.860 -1.248 3.332 1.00 0.00 H new ATOM 494 N SER A 35 11.996 -4.164 0.095 1.00 0.00 N ATOM 495 CA SER A 35 12.793 -5.374 0.203 1.00 0.00 C ATOM 496 C SER A 35 13.331 -5.521 1.628 1.00 0.00 C ATOM 497 O SER A 35 13.741 -4.538 2.245 1.00 0.00 O ATOM 498 CB SER A 35 13.947 -5.366 -0.802 1.00 0.00 C ATOM 499 OG SER A 35 14.952 -4.419 -0.453 1.00 0.00 O ATOM 0 H SER A 35 12.479 -3.309 0.372 1.00 0.00 H new ATOM 0 HA SER A 35 12.153 -6.226 -0.027 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.389 -6.361 -0.854 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.561 -5.136 -1.795 1.00 0.00 H new ATOM 0 HG SER A 35 15.672 -4.446 -1.118 1.00 0.00 H new ATOM 505 N PRO A 36 13.314 -6.788 2.121 1.00 0.00 N ATOM 506 CA PRO A 36 13.795 -7.076 3.462 1.00 0.00 C ATOM 507 C PRO A 36 15.324 -7.039 3.515 1.00 0.00 C ATOM 508 O PRO A 36 15.987 -7.965 3.053 1.00 0.00 O ATOM 509 CB PRO A 36 13.222 -8.441 3.801 1.00 0.00 C ATOM 510 CG PRO A 36 12.831 -9.070 2.474 1.00 0.00 C ATOM 511 CD PRO A 36 12.838 -7.975 1.420 1.00 0.00 C ATOM 0 HA PRO A 36 13.475 -6.333 4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.957 -9.054 4.323 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.358 -8.349 4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.530 -9.862 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.844 -9.526 2.544 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.492 -8.232 0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.842 -7.818 1.006 1.00 0.00 H new ATOM 519 N SER A 37 15.839 -5.959 4.083 1.00 0.00 N ATOM 520 CA SER A 37 17.277 -5.789 4.204 1.00 0.00 C ATOM 521 C SER A 37 17.736 -6.180 5.610 1.00 0.00 C ATOM 522 O SER A 37 18.558 -7.080 5.770 1.00 0.00 O ATOM 523 CB SER A 37 17.689 -4.348 3.892 1.00 0.00 C ATOM 524 OG SER A 37 18.732 -4.289 2.923 1.00 0.00 O ATOM 0 H SER A 37 15.286 -5.192 4.465 1.00 0.00 H new ATOM 0 HA SER A 37 17.760 -6.443 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 37 16.824 -3.794 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 37 18.018 -3.858 4.809 1.00 0.00 H new ATOM 0 HG SER A 37 18.965 -3.353 2.750 1.00 0.00 H new ATOM 530 N CYS A 38 17.182 -5.485 6.592 1.00 0.00 N ATOM 531 CA CYS A 38 17.524 -5.749 7.980 1.00 0.00 C ATOM 532 C CYS A 38 16.791 -7.018 8.422 1.00 0.00 C ATOM 533 O CYS A 38 17.423 -8.009 8.784 1.00 0.00 O ATOM 534 CB CYS A 38 17.193 -4.557 8.880 1.00 0.00 C ATOM 535 SG CYS A 38 18.581 -4.237 10.029 1.00 0.00 S ATOM 0 H CYS A 38 16.499 -4.740 6.455 1.00 0.00 H new ATOM 0 HA CYS A 38 18.600 -5.901 8.070 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.002 -3.673 8.271 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.282 -4.758 9.444 1.00 0.00 H new ATOM 0 HG CYS A 38 18.291 -3.222 10.787 1.00 0.00 H new ATOM 541 N ASN A 39 15.469 -6.945 8.377 1.00 0.00 N ATOM 542 CA ASN A 39 14.644 -8.075 8.768 1.00 0.00 C ATOM 543 C ASN A 39 15.239 -9.361 8.191 1.00 0.00 C ATOM 544 O ASN A 39 15.656 -9.390 7.034 1.00 0.00 O ATOM 545 CB ASN A 39 13.219 -7.931 8.229 1.00 0.00 C ATOM 546 CG ASN A 39 12.580 -6.628 8.713 1.00 0.00 C ATOM 547 OD1 ASN A 39 12.463 -5.655 7.985 1.00 0.00 O ATOM 548 ND2 ASN A 39 12.173 -6.662 9.978 1.00 0.00 N ATOM 0 H ASN A 39 14.949 -6.121 8.076 1.00 0.00 H new ATOM 0 HA ASN A 39 14.616 -8.109 9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.235 -7.950 7.139 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.616 -8.779 8.554 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.733 -5.842 10.394 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.301 -7.509 10.532 1.00 0.00 H new ATOM 555 N ASP A 40 15.261 -10.391 9.022 1.00 0.00 N ATOM 556 CA ASP A 40 15.799 -11.676 8.609 1.00 0.00 C ATOM 557 C ASP A 40 14.741 -12.761 8.824 1.00 0.00 C ATOM 558 O ASP A 40 14.308 -13.408 7.872 1.00 0.00 O ATOM 559 CB ASP A 40 17.033 -12.049 9.433 1.00 0.00 C ATOM 560 CG ASP A 40 18.219 -12.572 8.622 1.00 0.00 C ATOM 561 OD1 ASP A 40 17.976 -13.439 7.755 1.00 0.00 O ATOM 562 OD2 ASP A 40 19.344 -12.093 8.887 1.00 0.00 O ATOM 0 H ASP A 40 14.915 -10.362 9.981 1.00 0.00 H new ATOM 0 HA ASP A 40 16.077 -11.601 7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.355 -11.172 9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.748 -12.807 10.162 1.00 0.00 H new ATOM 567 N ASP A 41 14.357 -12.925 10.081 1.00 0.00 N ATOM 568 CA ASP A 41 13.358 -13.921 10.434 1.00 0.00 C ATOM 569 C ASP A 41 12.194 -13.841 9.444 1.00 0.00 C ATOM 570 O ASP A 41 11.673 -14.866 9.008 1.00 0.00 O ATOM 571 CB ASP A 41 12.804 -13.671 11.837 1.00 0.00 C ATOM 572 CG ASP A 41 13.499 -14.450 12.955 1.00 0.00 C ATOM 573 OD1 ASP A 41 14.733 -14.289 13.076 1.00 0.00 O ATOM 574 OD2 ASP A 41 12.782 -15.188 13.664 1.00 0.00 O ATOM 0 H ASP A 41 14.719 -12.386 10.868 1.00 0.00 H new ATOM 0 HA ASP A 41 13.833 -14.902 10.404 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.879 -12.606 12.056 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.744 -13.924 11.843 1.00 0.00 H new ATOM 579 N ILE A 42 11.819 -12.612 9.119 1.00 0.00 N ATOM 580 CA ILE A 42 10.726 -12.385 8.188 1.00 0.00 C ATOM 581 C ILE A 42 10.994 -13.156 6.895 1.00 0.00 C ATOM 582 O ILE A 42 11.624 -12.634 5.976 1.00 0.00 O ATOM 583 CB ILE A 42 10.505 -10.886 7.977 1.00 0.00 C ATOM 584 CG1 ILE A 42 10.205 -10.183 9.303 1.00 0.00 C ATOM 585 CG2 ILE A 42 9.413 -10.633 6.935 1.00 0.00 C ATOM 586 CD1 ILE A 42 8.926 -10.733 9.938 1.00 0.00 C ATOM 0 H ILE A 42 12.252 -11.764 9.483 1.00 0.00 H new ATOM 0 HA ILE A 42 9.791 -12.767 8.598 1.00 0.00 H new ATOM 0 HB ILE A 42 11.428 -10.457 7.587 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.042 -10.318 9.988 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.100 -9.111 9.135 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.276 -9.560 6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.706 -11.080 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.478 -11.079 7.272 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.736 -10.217 10.879 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.087 -10.575 9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.043 -11.800 10.127 1.00 0.00 H new ATOM 598 N THR A 43 10.502 -14.385 6.863 1.00 0.00 N ATOM 599 CA THR A 43 10.681 -15.233 5.697 1.00 0.00 C ATOM 600 C THR A 43 9.777 -14.765 4.554 1.00 0.00 C ATOM 601 O THR A 43 8.553 -14.830 4.659 1.00 0.00 O ATOM 602 CB THR A 43 10.424 -16.681 6.121 1.00 0.00 C ATOM 603 OG1 THR A 43 11.654 -17.094 6.708 1.00 0.00 O ATOM 604 CG2 THR A 43 10.248 -17.619 4.925 1.00 0.00 C ATOM 0 H THR A 43 9.979 -14.814 7.626 1.00 0.00 H new ATOM 0 HA THR A 43 11.699 -15.168 5.313 1.00 0.00 H new ATOM 0 HB THR A 43 9.534 -16.723 6.749 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.879 -16.496 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.068 -18.633 5.281 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.399 -17.289 4.326 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.151 -17.604 4.315 1.00 0.00 H new ATOM 612 N VAL A 44 10.415 -14.306 3.488 1.00 0.00 N ATOM 613 CA VAL A 44 9.685 -13.827 2.327 1.00 0.00 C ATOM 614 C VAL A 44 9.797 -14.856 1.199 1.00 0.00 C ATOM 615 O VAL A 44 10.886 -15.089 0.674 1.00 0.00 O ATOM 616 CB VAL A 44 10.192 -12.441 1.924 1.00 0.00 C ATOM 617 CG1 VAL A 44 9.538 -11.975 0.621 1.00 0.00 C ATOM 618 CG2 VAL A 44 9.962 -11.427 3.046 1.00 0.00 C ATOM 0 H VAL A 44 11.430 -14.256 3.404 1.00 0.00 H new ATOM 0 HA VAL A 44 8.626 -13.715 2.562 1.00 0.00 H new ATOM 0 HB VAL A 44 11.266 -12.513 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.916 -10.987 0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.775 -12.679 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.457 -11.927 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.331 -10.450 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.896 -11.360 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.495 -11.748 3.941 1.00 0.00 H new ATOM 628 N LYS A 45 8.659 -15.443 0.861 1.00 0.00 N ATOM 629 CA LYS A 45 8.617 -16.441 -0.195 1.00 0.00 C ATOM 630 C LYS A 45 9.241 -15.860 -1.465 1.00 0.00 C ATOM 631 O LYS A 45 9.473 -14.655 -1.551 1.00 0.00 O ATOM 632 CB LYS A 45 7.189 -16.954 -0.389 1.00 0.00 C ATOM 633 CG LYS A 45 6.683 -17.659 0.870 1.00 0.00 C ATOM 634 CD LYS A 45 7.652 -18.758 1.311 1.00 0.00 C ATOM 635 CE LYS A 45 6.896 -19.970 1.859 1.00 0.00 C ATOM 636 NZ LYS A 45 6.659 -20.962 0.786 1.00 0.00 N ATOM 0 H LYS A 45 7.759 -15.247 1.299 1.00 0.00 H new ATOM 0 HA LYS A 45 9.210 -17.313 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.530 -16.121 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.158 -17.643 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.561 -16.933 1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.701 -18.091 0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.270 -19.062 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.325 -18.369 2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.468 -20.428 2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.944 -19.651 2.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.145 -21.778 1.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.095 -20.526 0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.571 -21.280 0.399 1.00 0.00 H new ATOM 650 N LYS A 46 9.493 -16.744 -2.419 1.00 0.00 N ATOM 651 CA LYS A 46 10.085 -16.334 -3.681 1.00 0.00 C ATOM 652 C LYS A 46 9.044 -15.573 -4.504 1.00 0.00 C ATOM 653 O LYS A 46 9.385 -14.651 -5.245 1.00 0.00 O ATOM 654 CB LYS A 46 10.684 -17.539 -4.408 1.00 0.00 C ATOM 655 CG LYS A 46 11.899 -17.128 -5.243 1.00 0.00 C ATOM 656 CD LYS A 46 11.829 -17.733 -6.647 1.00 0.00 C ATOM 657 CE LYS A 46 12.832 -18.876 -6.802 1.00 0.00 C ATOM 658 NZ LYS A 46 12.427 -19.777 -7.904 1.00 0.00 N ATOM 0 H LYS A 46 9.298 -17.742 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 46 10.916 -15.650 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.977 -18.297 -3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.930 -17.990 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.946 -16.041 -5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.813 -17.455 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.821 -18.101 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.033 -16.962 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.824 -18.472 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.898 -19.438 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.120 -20.547 -7.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.489 -20.177 -7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.387 -19.241 -8.794 1.00 0.00 H new ATOM 672 N ASP A 47 7.795 -15.988 -4.349 1.00 0.00 N ATOM 673 CA ASP A 47 6.702 -15.357 -5.070 1.00 0.00 C ATOM 674 C ASP A 47 6.045 -14.306 -4.172 1.00 0.00 C ATOM 675 O ASP A 47 4.878 -13.965 -4.361 1.00 0.00 O ATOM 676 CB ASP A 47 5.634 -16.382 -5.456 1.00 0.00 C ATOM 677 CG ASP A 47 5.833 -17.039 -6.824 1.00 0.00 C ATOM 678 OD1 ASP A 47 6.866 -17.725 -6.978 1.00 0.00 O ATOM 679 OD2 ASP A 47 4.949 -16.840 -7.684 1.00 0.00 O ATOM 0 H ASP A 47 7.516 -16.753 -3.735 1.00 0.00 H new ATOM 0 HA ASP A 47 7.110 -14.903 -5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.609 -17.162 -4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.660 -15.892 -5.443 1.00 0.00 H new ATOM 684 N GLN A 48 6.823 -13.822 -3.215 1.00 0.00 N ATOM 685 CA GLN A 48 6.332 -12.815 -2.289 1.00 0.00 C ATOM 686 C GLN A 48 7.312 -11.644 -2.208 1.00 0.00 C ATOM 687 O GLN A 48 8.464 -11.763 -2.625 1.00 0.00 O ATOM 688 CB GLN A 48 6.084 -13.419 -0.905 1.00 0.00 C ATOM 689 CG GLN A 48 4.792 -14.238 -0.887 1.00 0.00 C ATOM 690 CD GLN A 48 4.513 -14.793 0.512 1.00 0.00 C ATOM 691 OE1 GLN A 48 5.207 -14.501 1.472 1.00 0.00 O ATOM 692 NE2 GLN A 48 3.464 -15.607 0.572 1.00 0.00 N ATOM 0 H GLN A 48 7.790 -14.108 -3.061 1.00 0.00 H new ATOM 0 HA GLN A 48 5.379 -12.440 -2.663 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.925 -14.054 -0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.025 -12.623 -0.162 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.958 -13.614 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.868 -15.059 -1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.926 -15.809 -0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.197 -16.030 1.461 1.00 0.00 H new ATOM 701 N CYS A 49 6.819 -10.538 -1.670 1.00 0.00 N ATOM 702 CA CYS A 49 7.638 -9.345 -1.530 1.00 0.00 C ATOM 703 C CYS A 49 7.172 -8.588 -0.285 1.00 0.00 C ATOM 704 O CYS A 49 6.016 -8.699 0.119 1.00 0.00 O ATOM 705 CB CYS A 49 7.582 -8.471 -2.783 1.00 0.00 C ATOM 706 SG CYS A 49 9.278 -8.048 -3.328 1.00 0.00 S ATOM 0 H CYS A 49 5.864 -10.443 -1.326 1.00 0.00 H new ATOM 0 HA CYS A 49 8.684 -9.629 -1.412 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.056 -8.997 -3.580 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.020 -7.560 -2.576 1.00 0.00 H new ATOM 0 HG CYS A 49 9.219 -7.307 -4.395 1.00 0.00 H new ATOM 712 N LEU A 50 8.099 -7.834 0.290 1.00 0.00 N ATOM 713 CA LEU A 50 7.798 -7.058 1.482 1.00 0.00 C ATOM 714 C LEU A 50 7.209 -5.708 1.070 1.00 0.00 C ATOM 715 O LEU A 50 7.790 -4.996 0.253 1.00 0.00 O ATOM 716 CB LEU A 50 9.037 -6.942 2.373 1.00 0.00 C ATOM 717 CG LEU A 50 8.833 -6.245 3.719 1.00 0.00 C ATOM 718 CD1 LEU A 50 7.950 -7.086 4.643 1.00 0.00 C ATOM 719 CD2 LEU A 50 10.174 -5.899 4.367 1.00 0.00 C ATOM 0 H LEU A 50 9.057 -7.744 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 50 7.045 -7.564 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.420 -7.945 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.808 -6.404 1.821 1.00 0.00 H new ATOM 0 HG LEU A 50 8.310 -5.305 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.821 -6.568 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.976 -7.238 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.423 -8.052 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.000 -5.404 5.323 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.746 -6.813 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.734 -5.233 3.711 1.00 0.00 H new ATOM 731 N VAL A 51 6.061 -5.396 1.655 1.00 0.00 N ATOM 732 CA VAL A 51 5.387 -4.143 1.360 1.00 0.00 C ATOM 733 C VAL A 51 5.076 -3.415 2.669 1.00 0.00 C ATOM 734 O VAL A 51 5.125 -4.014 3.743 1.00 0.00 O ATOM 735 CB VAL A 51 4.141 -4.408 0.513 1.00 0.00 C ATOM 736 CG1 VAL A 51 4.432 -5.430 -0.587 1.00 0.00 C ATOM 737 CG2 VAL A 51 2.969 -4.861 1.386 1.00 0.00 C ATOM 0 H VAL A 51 5.581 -5.989 2.332 1.00 0.00 H new ATOM 0 HA VAL A 51 6.032 -3.491 0.772 1.00 0.00 H new ATOM 0 HB VAL A 51 3.858 -3.471 0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.529 -5.600 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.221 -5.051 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.753 -6.369 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.097 -5.042 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.238 -5.779 1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.737 -4.084 2.115 1.00 0.00 H new ATOM 747 N ARG A 52 4.763 -2.134 2.538 1.00 0.00 N ATOM 748 CA ARG A 52 4.444 -1.319 3.697 1.00 0.00 C ATOM 749 C ARG A 52 3.050 -0.708 3.549 1.00 0.00 C ATOM 750 O ARG A 52 2.830 0.147 2.693 1.00 0.00 O ATOM 751 CB ARG A 52 5.468 -0.196 3.878 1.00 0.00 C ATOM 752 CG ARG A 52 5.273 0.511 5.222 1.00 0.00 C ATOM 753 CD ARG A 52 6.611 0.707 5.938 1.00 0.00 C ATOM 754 NE ARG A 52 6.382 0.938 7.382 1.00 0.00 N ATOM 755 CZ ARG A 52 7.355 1.216 8.260 1.00 0.00 C ATOM 756 NH1 ARG A 52 8.627 1.302 7.848 1.00 0.00 N ATOM 757 NH2 ARG A 52 7.055 1.410 9.552 1.00 0.00 N ATOM 0 H ARG A 52 4.724 -1.641 1.646 1.00 0.00 H new ATOM 0 HA ARG A 52 4.470 -1.965 4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.477 -0.606 3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.370 0.525 3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.797 1.478 5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.602 -0.074 5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.241 -0.171 5.797 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.144 1.554 5.506 1.00 0.00 H new ATOM 0 HE ARG A 52 5.425 0.882 7.730 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.856 1.156 6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.367 1.514 8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.087 1.346 9.866 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.795 1.622 10.221 1.00 0.00 H new ATOM 771 N SER A 53 2.142 -1.172 4.396 1.00 0.00 N ATOM 772 CA SER A 53 0.775 -0.682 4.371 1.00 0.00 C ATOM 773 C SER A 53 0.750 0.816 4.682 1.00 0.00 C ATOM 774 O SER A 53 1.625 1.323 5.382 1.00 0.00 O ATOM 775 CB SER A 53 -0.103 -1.445 5.365 1.00 0.00 C ATOM 776 OG SER A 53 -1.329 -0.768 5.625 1.00 0.00 O ATOM 0 H SER A 53 2.327 -1.883 5.104 1.00 0.00 H new ATOM 0 HA SER A 53 0.372 -0.846 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.315 -2.440 4.972 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.441 -1.580 6.300 1.00 0.00 H new ATOM 0 HG SER A 53 -1.861 -1.288 6.263 1.00 0.00 H new ATOM 782 N PHE A 54 -0.264 1.482 4.148 1.00 0.00 N ATOM 783 CA PHE A 54 -0.415 2.912 4.360 1.00 0.00 C ATOM 784 C PHE A 54 -1.589 3.207 5.295 1.00 0.00 C ATOM 785 O PHE A 54 -2.026 4.350 5.407 1.00 0.00 O ATOM 786 CB PHE A 54 -0.696 3.539 2.993 1.00 0.00 C ATOM 787 CG PHE A 54 0.551 3.740 2.131 1.00 0.00 C ATOM 788 CD1 PHE A 54 1.443 4.718 2.444 1.00 0.00 C ATOM 789 CD2 PHE A 54 0.769 2.940 1.053 1.00 0.00 C ATOM 790 CE1 PHE A 54 2.602 4.904 1.643 1.00 0.00 C ATOM 791 CE2 PHE A 54 1.927 3.126 0.253 1.00 0.00 C ATOM 792 CZ PHE A 54 2.819 4.104 0.564 1.00 0.00 C ATOM 0 H PHE A 54 -0.989 1.058 3.569 1.00 0.00 H new ATOM 0 HA PHE A 54 0.488 3.318 4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.400 2.906 2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.182 4.503 3.140 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.271 5.353 3.301 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.061 2.163 0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.311 5.680 1.891 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.099 2.490 -0.603 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.699 4.246 -0.045 1.00 0.00 H new ATOM 802 N ILE A 55 -2.067 2.153 5.943 1.00 0.00 N ATOM 803 CA ILE A 55 -3.182 2.285 6.865 1.00 0.00 C ATOM 804 C ILE A 55 -2.648 2.349 8.298 1.00 0.00 C ATOM 805 O ILE A 55 -2.805 3.362 8.978 1.00 0.00 O ATOM 806 CB ILE A 55 -4.200 1.166 6.638 1.00 0.00 C ATOM 807 CG1 ILE A 55 -4.797 1.245 5.231 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.281 1.180 7.720 1.00 0.00 C ATOM 809 CD1 ILE A 55 -5.598 -0.016 4.903 1.00 0.00 C ATOM 0 H ILE A 55 -1.702 1.205 5.847 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.719 3.216 6.682 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.680 0.211 6.715 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.442 2.120 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.999 1.373 4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.992 0.375 7.535 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.819 1.039 8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.803 2.136 7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.011 0.067 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.944 -0.886 4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.410 -0.128 5.621 1.00 0.00 H new ATOM 821 N ASP A 56 -2.029 1.254 8.714 1.00 0.00 N ATOM 822 CA ASP A 56 -1.472 1.173 10.054 1.00 0.00 C ATOM 823 C ASP A 56 0.044 1.366 9.982 1.00 0.00 C ATOM 824 O ASP A 56 0.673 1.741 10.971 1.00 0.00 O ATOM 825 CB ASP A 56 -1.746 -0.194 10.683 1.00 0.00 C ATOM 826 CG ASP A 56 -1.281 -0.344 12.132 1.00 0.00 C ATOM 827 OD1 ASP A 56 -0.095 -0.035 12.383 1.00 0.00 O ATOM 828 OD2 ASP A 56 -2.120 -0.763 12.958 1.00 0.00 O ATOM 0 H ASP A 56 -1.901 0.416 8.147 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.939 1.948 10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.818 -0.389 10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.258 -0.959 10.080 1.00 0.00 H new ATOM 833 N SER A 57 0.589 1.100 8.805 1.00 0.00 N ATOM 834 CA SER A 57 2.019 1.238 8.592 1.00 0.00 C ATOM 835 C SER A 57 2.745 -0.018 9.079 1.00 0.00 C ATOM 836 O SER A 57 3.785 0.076 9.729 1.00 0.00 O ATOM 837 CB SER A 57 2.564 2.478 9.305 1.00 0.00 C ATOM 838 OG SER A 57 3.032 2.176 10.617 1.00 0.00 O ATOM 0 H SER A 57 0.065 0.789 7.987 1.00 0.00 H new ATOM 0 HA SER A 57 2.196 1.359 7.523 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.378 2.905 8.719 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.782 3.235 9.364 1.00 0.00 H new ATOM 0 HG SER A 57 2.272 1.942 11.190 1.00 0.00 H new ATOM 844 N LYS A 58 2.167 -1.162 8.748 1.00 0.00 N ATOM 845 CA LYS A 58 2.746 -2.436 9.143 1.00 0.00 C ATOM 846 C LYS A 58 3.489 -3.044 7.953 1.00 0.00 C ATOM 847 O LYS A 58 3.495 -2.476 6.863 1.00 0.00 O ATOM 848 CB LYS A 58 1.672 -3.352 9.732 1.00 0.00 C ATOM 849 CG LYS A 58 1.291 -2.912 11.148 1.00 0.00 C ATOM 850 CD LYS A 58 1.687 -3.972 12.176 1.00 0.00 C ATOM 851 CE LYS A 58 1.899 -3.345 13.556 1.00 0.00 C ATOM 852 NZ LYS A 58 2.300 -4.377 14.538 1.00 0.00 N ATOM 0 H LYS A 58 1.303 -1.235 8.210 1.00 0.00 H new ATOM 0 HA LYS A 58 3.479 -2.292 9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.789 -3.340 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.036 -4.379 9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.784 -1.969 11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.217 -2.733 11.200 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.911 -4.735 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.601 -4.471 11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.666 -2.573 13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.981 -2.858 13.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.440 -3.935 15.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.555 -5.099 14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.188 -4.823 14.230 1.00 0.00 H new ATOM 866 N PHE A 59 4.101 -4.193 8.204 1.00 0.00 N ATOM 867 CA PHE A 59 4.847 -4.886 7.166 1.00 0.00 C ATOM 868 C PHE A 59 4.187 -6.222 6.816 1.00 0.00 C ATOM 869 O PHE A 59 4.121 -7.122 7.652 1.00 0.00 O ATOM 870 CB PHE A 59 6.246 -5.152 7.724 1.00 0.00 C ATOM 871 CG PHE A 59 7.167 -3.930 7.703 1.00 0.00 C ATOM 872 CD1 PHE A 59 7.947 -3.685 6.616 1.00 0.00 C ATOM 873 CD2 PHE A 59 7.204 -3.088 8.771 1.00 0.00 C ATOM 874 CE1 PHE A 59 8.802 -2.551 6.597 1.00 0.00 C ATOM 875 CE2 PHE A 59 8.059 -1.955 8.752 1.00 0.00 C ATOM 876 CZ PHE A 59 8.840 -1.710 7.665 1.00 0.00 C ATOM 0 H PHE A 59 4.096 -4.661 9.110 1.00 0.00 H new ATOM 0 HA PHE A 59 4.878 -4.279 6.261 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.155 -5.508 8.750 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.709 -5.953 7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.916 -4.353 5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.583 -3.282 9.633 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.422 -2.357 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.090 -1.287 9.600 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.490 -0.848 7.650 1.00 0.00 H new ATOM 886 N TYR A 60 3.717 -6.306 5.581 1.00 0.00 N ATOM 887 CA TYR A 60 3.065 -7.516 5.110 1.00 0.00 C ATOM 888 C TYR A 60 3.800 -8.101 3.902 1.00 0.00 C ATOM 889 O TYR A 60 4.440 -7.370 3.147 1.00 0.00 O ATOM 890 CB TYR A 60 1.657 -7.099 4.682 1.00 0.00 C ATOM 891 CG TYR A 60 0.758 -6.664 5.841 1.00 0.00 C ATOM 892 CD1 TYR A 60 0.086 -7.612 6.586 1.00 0.00 C ATOM 893 CD2 TYR A 60 0.619 -5.324 6.141 1.00 0.00 C ATOM 894 CE1 TYR A 60 -0.760 -7.202 7.678 1.00 0.00 C ATOM 895 CE2 TYR A 60 -0.228 -4.915 7.232 1.00 0.00 C ATOM 896 CZ TYR A 60 -0.875 -5.874 7.947 1.00 0.00 C ATOM 897 OH TYR A 60 -1.674 -5.488 8.977 1.00 0.00 O ATOM 0 H TYR A 60 3.774 -5.556 4.892 1.00 0.00 H new ATOM 0 HA TYR A 60 3.056 -8.275 5.892 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.733 -6.279 3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.185 -7.932 4.162 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.194 -8.660 6.351 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.145 -4.582 5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.291 -7.933 8.270 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.347 -3.870 7.477 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.660 -4.511 9.054 1.00 0.00 H new ATOM 907 N SER A 61 3.684 -9.413 3.756 1.00 0.00 N ATOM 908 CA SER A 61 4.330 -10.103 2.652 1.00 0.00 C ATOM 909 C SER A 61 3.276 -10.745 1.749 1.00 0.00 C ATOM 910 O SER A 61 2.682 -11.761 2.107 1.00 0.00 O ATOM 911 CB SER A 61 5.308 -11.163 3.163 1.00 0.00 C ATOM 912 OG SER A 61 6.181 -11.623 2.134 1.00 0.00 O ATOM 0 H SER A 61 3.152 -10.016 4.384 1.00 0.00 H new ATOM 0 HA SER A 61 4.897 -9.372 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.898 -10.748 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.749 -12.006 3.569 1.00 0.00 H new ATOM 0 HG SER A 61 6.003 -12.570 1.953 1.00 0.00 H new ATOM 918 N ILE A 62 3.075 -10.126 0.595 1.00 0.00 N ATOM 919 CA ILE A 62 2.102 -10.625 -0.363 1.00 0.00 C ATOM 920 C ILE A 62 2.829 -11.076 -1.632 1.00 0.00 C ATOM 921 O ILE A 62 4.049 -10.962 -1.727 1.00 0.00 O ATOM 922 CB ILE A 62 1.014 -9.579 -0.616 1.00 0.00 C ATOM 923 CG1 ILE A 62 1.233 -8.339 0.253 1.00 0.00 C ATOM 924 CG2 ILE A 62 -0.379 -10.180 -0.418 1.00 0.00 C ATOM 925 CD1 ILE A 62 1.114 -8.683 1.740 1.00 0.00 C ATOM 0 H ILE A 62 3.569 -9.283 0.301 1.00 0.00 H new ATOM 0 HA ILE A 62 1.585 -11.498 0.037 1.00 0.00 H new ATOM 0 HB ILE A 62 1.082 -9.259 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.218 -7.918 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.501 -7.575 -0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.134 -9.416 -0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.521 -11.007 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.476 -10.545 0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.274 -7.784 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.120 -9.081 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.864 -9.430 2.002 1.00 0.00 H new ATOM 937 N ALA A 63 2.045 -11.580 -2.576 1.00 0.00 N ATOM 938 CA ALA A 63 2.599 -12.048 -3.835 1.00 0.00 C ATOM 939 C ALA A 63 2.471 -10.944 -4.886 1.00 0.00 C ATOM 940 O ALA A 63 1.399 -10.366 -5.057 1.00 0.00 O ATOM 941 CB ALA A 63 1.891 -13.338 -4.255 1.00 0.00 C ATOM 0 H ALA A 63 1.033 -11.674 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 63 3.659 -12.278 -3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.306 -13.690 -5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.037 -14.099 -3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.825 -13.145 -4.377 1.00 0.00 H new ATOM 947 N ARG A 64 3.580 -10.685 -5.563 1.00 0.00 N ATOM 948 CA ARG A 64 3.606 -9.659 -6.592 1.00 0.00 C ATOM 949 C ARG A 64 2.456 -9.870 -7.580 1.00 0.00 C ATOM 950 O ARG A 64 2.051 -8.939 -8.274 1.00 0.00 O ATOM 951 CB ARG A 64 4.933 -9.676 -7.353 1.00 0.00 C ATOM 952 CG ARG A 64 5.479 -8.259 -7.533 1.00 0.00 C ATOM 953 CD ARG A 64 6.682 -8.016 -6.619 1.00 0.00 C ATOM 954 NE ARG A 64 7.925 -7.957 -7.422 1.00 0.00 N ATOM 955 CZ ARG A 64 8.202 -6.990 -8.306 1.00 0.00 C ATOM 956 NH1 ARG A 64 7.327 -5.996 -8.509 1.00 0.00 N ATOM 957 NH2 ARG A 64 9.354 -7.019 -8.991 1.00 0.00 N ATOM 0 H ARG A 64 4.467 -11.168 -5.419 1.00 0.00 H new ATOM 0 HA ARG A 64 3.495 -8.693 -6.100 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.659 -10.283 -6.812 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.791 -10.142 -8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.770 -8.107 -8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.697 -7.533 -7.312 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.549 -7.084 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.754 -8.814 -5.880 1.00 0.00 H new ATOM 0 HE ARG A 64 8.613 -8.699 -7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.449 -5.975 -7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.539 -5.260 -9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.019 -7.777 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.566 -6.283 -9.664 1.00 0.00 H new ATOM 971 N LYS A 65 1.964 -11.100 -7.611 1.00 0.00 N ATOM 972 CA LYS A 65 0.870 -11.445 -8.502 1.00 0.00 C ATOM 973 C LYS A 65 -0.432 -10.855 -7.957 1.00 0.00 C ATOM 974 O LYS A 65 -1.327 -10.502 -8.724 1.00 0.00 O ATOM 975 CB LYS A 65 0.813 -12.959 -8.722 1.00 0.00 C ATOM 976 CG LYS A 65 0.430 -13.685 -7.431 1.00 0.00 C ATOM 977 CD LYS A 65 0.294 -15.190 -7.669 1.00 0.00 C ATOM 978 CE LYS A 65 1.579 -15.925 -7.285 1.00 0.00 C ATOM 979 NZ LYS A 65 1.368 -16.739 -6.067 1.00 0.00 N ATOM 0 H LYS A 65 2.303 -11.869 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 65 1.031 -11.009 -9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.088 -13.190 -9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.782 -13.316 -9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.186 -13.501 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.511 -13.287 -7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.540 -15.580 -7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.064 -15.376 -8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.897 -16.566 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.379 -15.205 -7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.251 -17.231 -5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.086 -16.120 -5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.619 -17.439 -6.243 1.00 0.00 H new ATOM 993 N ASP A 66 -0.496 -10.763 -6.637 1.00 0.00 N ATOM 994 CA ASP A 66 -1.673 -10.221 -5.980 1.00 0.00 C ATOM 995 C ASP A 66 -1.625 -8.693 -6.036 1.00 0.00 C ATOM 996 O ASP A 66 -2.628 -8.027 -5.786 1.00 0.00 O ATOM 997 CB ASP A 66 -1.726 -10.639 -4.510 1.00 0.00 C ATOM 998 CG ASP A 66 -1.242 -12.063 -4.224 1.00 0.00 C ATOM 999 OD1 ASP A 66 -1.632 -12.960 -5.001 1.00 0.00 O ATOM 1000 OD2 ASP A 66 -0.493 -12.221 -3.236 1.00 0.00 O ATOM 0 H ASP A 66 0.249 -11.055 -6.004 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.553 -10.605 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.122 -9.943 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.753 -10.543 -4.157 1.00 0.00 H new ATOM 1005 N ILE A 67 -0.448 -8.182 -6.367 1.00 0.00 N ATOM 1006 CA ILE A 67 -0.256 -6.745 -6.458 1.00 0.00 C ATOM 1007 C ILE A 67 -0.474 -6.297 -7.905 1.00 0.00 C ATOM 1008 O ILE A 67 -0.232 -7.060 -8.838 1.00 0.00 O ATOM 1009 CB ILE A 67 1.110 -6.350 -5.892 1.00 0.00 C ATOM 1010 CG1 ILE A 67 1.379 -7.060 -4.564 1.00 0.00 C ATOM 1011 CG2 ILE A 67 1.231 -4.830 -5.763 1.00 0.00 C ATOM 1012 CD1 ILE A 67 2.802 -6.785 -4.073 1.00 0.00 C ATOM 0 H ILE A 67 0.382 -8.737 -6.575 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.992 -6.223 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 67 1.878 -6.676 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.661 -6.724 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.234 -8.133 -4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.211 -4.576 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.114 -4.371 -6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.455 -4.459 -5.094 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.967 -7.301 -3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.518 -7.144 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.936 -5.713 -3.929 1.00 0.00 H new ATOM 1024 N LYS A 68 -0.930 -5.061 -8.046 1.00 0.00 N ATOM 1025 CA LYS A 68 -1.184 -4.503 -9.363 1.00 0.00 C ATOM 1026 C LYS A 68 -1.104 -2.976 -9.289 1.00 0.00 C ATOM 1027 O LYS A 68 -1.466 -2.381 -8.277 1.00 0.00 O ATOM 1028 CB LYS A 68 -2.512 -5.021 -9.918 1.00 0.00 C ATOM 1029 CG LYS A 68 -3.697 -4.303 -9.269 1.00 0.00 C ATOM 1030 CD LYS A 68 -4.235 -5.099 -8.078 1.00 0.00 C ATOM 1031 CE LYS A 68 -5.732 -4.851 -7.885 1.00 0.00 C ATOM 1032 NZ LYS A 68 -6.048 -4.674 -6.450 1.00 0.00 N ATOM 0 H LYS A 68 -1.130 -4.430 -7.270 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.420 -4.830 -10.068 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.541 -4.874 -10.998 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.591 -6.093 -9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.389 -3.311 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.489 -4.163 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.056 -6.163 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.696 -4.816 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.034 -3.964 -8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.300 -5.689 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.876 -5.253 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.234 -4.972 -5.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.257 -3.673 -6.261 1.00 0.00 H new ATOM 1046 N GLU A 69 -0.624 -2.387 -10.375 1.00 0.00 N ATOM 1047 CA GLU A 69 -0.491 -0.943 -10.446 1.00 0.00 C ATOM 1048 C GLU A 69 -1.785 -0.267 -9.990 1.00 0.00 C ATOM 1049 O GLU A 69 -2.879 -0.759 -10.268 1.00 0.00 O ATOM 1050 CB GLU A 69 -0.108 -0.496 -11.859 1.00 0.00 C ATOM 1051 CG GLU A 69 0.397 0.948 -11.859 1.00 0.00 C ATOM 1052 CD GLU A 69 -0.685 1.907 -12.360 1.00 0.00 C ATOM 1053 OE1 GLU A 69 -1.229 1.629 -13.451 1.00 0.00 O ATOM 1054 OE2 GLU A 69 -0.943 2.896 -11.642 1.00 0.00 O ATOM 0 H GLU A 69 -0.323 -2.885 -11.213 1.00 0.00 H new ATOM 0 HA GLU A 69 0.311 -0.639 -9.774 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.664 -1.155 -12.256 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.971 -0.583 -12.518 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.700 1.231 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.281 1.028 -12.492 1.00 0.00 H new ATOM 1061 N VAL A 70 -1.621 0.849 -9.296 1.00 0.00 N ATOM 1062 CA VAL A 70 -2.762 1.598 -8.798 1.00 0.00 C ATOM 1063 C VAL A 70 -2.475 3.096 -8.916 1.00 0.00 C ATOM 1064 O VAL A 70 -1.320 3.516 -8.872 1.00 0.00 O ATOM 1065 CB VAL A 70 -3.090 1.162 -7.369 1.00 0.00 C ATOM 1066 CG1 VAL A 70 -2.067 1.718 -6.377 1.00 0.00 C ATOM 1067 CG2 VAL A 70 -4.511 1.578 -6.981 1.00 0.00 C ATOM 0 H VAL A 70 -0.713 1.254 -9.066 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.647 1.389 -9.398 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.037 0.074 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.324 1.393 -5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.074 1.351 -6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.074 2.807 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.719 1.256 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.603 2.662 -7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.225 1.112 -7.661 1.00 0.00 H new ATOM 1077 N ASP A 71 -3.546 3.861 -9.063 1.00 0.00 N ATOM 1078 CA ASP A 71 -3.424 5.304 -9.187 1.00 0.00 C ATOM 1079 C ASP A 71 -4.126 5.974 -8.005 1.00 0.00 C ATOM 1080 O ASP A 71 -5.264 6.423 -8.126 1.00 0.00 O ATOM 1081 CB ASP A 71 -4.085 5.804 -10.473 1.00 0.00 C ATOM 1082 CG ASP A 71 -3.622 5.104 -11.753 1.00 0.00 C ATOM 1083 OD1 ASP A 71 -2.428 5.266 -12.088 1.00 0.00 O ATOM 1084 OD2 ASP A 71 -4.471 4.423 -12.368 1.00 0.00 O ATOM 0 H ASP A 71 -4.503 3.509 -9.099 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.363 5.552 -9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.164 5.682 -10.380 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.892 6.872 -10.571 1.00 0.00 H new ATOM 1089 N ILE A 72 -3.416 6.021 -6.886 1.00 0.00 N ATOM 1090 CA ILE A 72 -3.956 6.629 -5.682 1.00 0.00 C ATOM 1091 C ILE A 72 -4.091 8.139 -5.895 1.00 0.00 C ATOM 1092 O ILE A 72 -5.059 8.748 -5.443 1.00 0.00 O ATOM 1093 CB ILE A 72 -3.109 6.253 -4.466 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -2.999 4.733 -4.323 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -3.651 6.911 -3.195 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -4.290 4.046 -4.768 1.00 0.00 C ATOM 0 H ILE A 72 -2.472 5.648 -6.789 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.955 6.245 -5.476 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.100 6.636 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.164 4.367 -4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.785 4.476 -3.285 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.030 6.627 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.634 7.995 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.675 6.581 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.185 2.967 -4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.119 4.396 -4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.488 4.285 -5.813 1.00 0.00 H new ATOM 1108 N LEU A 73 -3.106 8.697 -6.583 1.00 0.00 N ATOM 1109 CA LEU A 73 -3.104 10.123 -6.861 1.00 0.00 C ATOM 1110 C LEU A 73 -4.247 10.453 -7.822 1.00 0.00 C ATOM 1111 O LEU A 73 -4.538 11.623 -8.068 1.00 0.00 O ATOM 1112 CB LEU A 73 -1.729 10.568 -7.365 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.776 11.129 -6.306 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.461 11.751 -6.957 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -1.498 12.118 -5.388 1.00 0.00 C ATOM 0 H LEU A 73 -2.305 8.188 -6.956 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.282 10.690 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.247 9.716 -7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.874 11.327 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.432 10.303 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.122 12.142 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.988 10.992 -7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.155 12.563 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.799 12.502 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.889 12.946 -5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.322 11.612 -4.884 1.00 0.00 H new ATOM 1127 N ASN A 74 -4.865 9.402 -8.340 1.00 0.00 N ATOM 1128 CA ASN A 74 -5.971 9.566 -9.269 1.00 0.00 C ATOM 1129 C ASN A 74 -7.291 9.382 -8.519 1.00 0.00 C ATOM 1130 O ASN A 74 -8.353 9.311 -9.136 1.00 0.00 O ATOM 1131 CB ASN A 74 -5.911 8.522 -10.385 1.00 0.00 C ATOM 1132 CG ASN A 74 -4.893 8.922 -11.456 1.00 0.00 C ATOM 1133 OD1 ASN A 74 -3.895 9.570 -11.189 1.00 0.00 O ATOM 1134 ND2 ASN A 74 -5.201 8.501 -12.679 1.00 0.00 N ATOM 0 H ASN A 74 -4.621 8.433 -8.134 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.902 10.563 -9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.642 7.552 -9.967 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.896 8.411 -10.838 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.585 8.717 -13.463 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.053 7.962 -12.833 1.00 0.00 H new ATOM 1141 N LEU A 75 -7.183 9.311 -7.202 1.00 0.00 N ATOM 1142 CA LEU A 75 -8.356 9.137 -6.362 1.00 0.00 C ATOM 1143 C LEU A 75 -8.905 10.509 -5.970 1.00 0.00 C ATOM 1144 O LEU A 75 -8.164 11.491 -5.930 1.00 0.00 O ATOM 1145 CB LEU A 75 -8.031 8.240 -5.166 1.00 0.00 C ATOM 1146 CG LEU A 75 -7.866 6.750 -5.470 1.00 0.00 C ATOM 1147 CD1 LEU A 75 -7.357 5.992 -4.242 1.00 0.00 C ATOM 1148 CD2 LEU A 75 -9.167 6.154 -6.012 1.00 0.00 C ATOM 0 H LEU A 75 -6.300 9.371 -6.694 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.145 8.623 -6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.111 8.601 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.823 8.354 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.112 6.642 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.249 4.935 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.391 6.396 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.069 6.105 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.023 5.094 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.958 6.274 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.448 6.669 -6.931 1.00 0.00 H new ATOM 1160 N PRO A 76 -10.235 10.536 -5.681 1.00 0.00 N ATOM 1161 CA PRO A 76 -10.892 11.772 -5.293 1.00 0.00 C ATOM 1162 C PRO A 76 -10.536 12.154 -3.854 1.00 0.00 C ATOM 1163 O PRO A 76 -10.377 11.285 -2.999 1.00 0.00 O ATOM 1164 CB PRO A 76 -12.376 11.507 -5.488 1.00 0.00 C ATOM 1165 CG PRO A 76 -12.526 9.995 -5.531 1.00 0.00 C ATOM 1166 CD PRO A 76 -11.143 9.393 -5.716 1.00 0.00 C ATOM 0 HA PRO A 76 -10.572 12.625 -5.892 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.960 11.935 -4.673 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.736 11.962 -6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.981 9.630 -4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.183 9.700 -6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.912 8.679 -4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -11.068 8.856 -6.662 1.00 0.00 H new ATOM 1174 N GLU A 77 -10.422 13.455 -3.632 1.00 0.00 N ATOM 1175 CA GLU A 77 -10.089 13.963 -2.313 1.00 0.00 C ATOM 1176 C GLU A 77 -10.884 13.216 -1.240 1.00 0.00 C ATOM 1177 O GLU A 77 -10.445 13.109 -0.097 1.00 0.00 O ATOM 1178 CB GLU A 77 -10.334 15.470 -2.228 1.00 0.00 C ATOM 1179 CG GLU A 77 -9.016 16.244 -2.295 1.00 0.00 C ATOM 1180 CD GLU A 77 -9.093 17.369 -3.330 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -9.225 17.032 -4.526 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -9.019 18.541 -2.901 1.00 0.00 O ATOM 0 H GLU A 77 -10.555 14.173 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.027 13.791 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.985 15.783 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.852 15.706 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.785 16.662 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.203 15.564 -2.551 1.00 0.00 H new ATOM 1189 N SER A 78 -12.043 12.718 -1.647 1.00 0.00 N ATOM 1190 CA SER A 78 -12.905 11.985 -0.736 1.00 0.00 C ATOM 1191 C SER A 78 -12.214 10.696 -0.287 1.00 0.00 C ATOM 1192 O SER A 78 -11.983 10.495 0.904 1.00 0.00 O ATOM 1193 CB SER A 78 -14.252 11.666 -1.387 1.00 0.00 C ATOM 1194 OG SER A 78 -15.344 12.202 -0.645 1.00 0.00 O ATOM 0 H SER A 78 -12.405 12.808 -2.596 1.00 0.00 H new ATOM 0 HA SER A 78 -13.094 12.612 0.135 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.270 12.069 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.367 10.585 -1.472 1.00 0.00 H new ATOM 0 HG SER A 78 -16.186 11.978 -1.094 1.00 0.00 H new ATOM 1200 N GLU A 79 -11.905 9.857 -1.263 1.00 0.00 N ATOM 1201 CA GLU A 79 -11.244 8.593 -0.983 1.00 0.00 C ATOM 1202 C GLU A 79 -9.985 8.825 -0.148 1.00 0.00 C ATOM 1203 O GLU A 79 -9.684 8.048 0.757 1.00 0.00 O ATOM 1204 CB GLU A 79 -10.915 7.848 -2.278 1.00 0.00 C ATOM 1205 CG GLU A 79 -12.182 7.292 -2.930 1.00 0.00 C ATOM 1206 CD GLU A 79 -13.010 6.490 -1.925 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -12.480 5.464 -1.444 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -14.153 6.920 -1.660 1.00 0.00 O ATOM 0 H GLU A 79 -12.100 10.027 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.927 7.968 -0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.411 8.522 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.223 7.033 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.780 8.112 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.912 6.656 -3.773 1.00 0.00 H new ATOM 1215 N LEU A 80 -9.282 9.898 -0.480 1.00 0.00 N ATOM 1216 CA LEU A 80 -8.061 10.243 0.228 1.00 0.00 C ATOM 1217 C LEU A 80 -8.399 10.585 1.680 1.00 0.00 C ATOM 1218 O LEU A 80 -7.964 9.897 2.602 1.00 0.00 O ATOM 1219 CB LEU A 80 -7.310 11.354 -0.508 1.00 0.00 C ATOM 1220 CG LEU A 80 -6.967 11.077 -1.972 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -6.166 12.232 -2.577 1.00 0.00 C ATOM 1222 CD2 LEU A 80 -6.242 9.736 -2.121 1.00 0.00 C ATOM 0 H LEU A 80 -9.535 10.540 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.380 9.392 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.910 12.263 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.383 11.556 0.029 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.899 11.004 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.936 12.009 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.753 13.149 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.238 12.362 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.009 9.563 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.318 9.756 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.882 8.934 -1.754 1.00 0.00 H new ATOM 1234 N SER A 81 -9.172 11.649 1.839 1.00 0.00 N ATOM 1235 CA SER A 81 -9.573 12.093 3.164 1.00 0.00 C ATOM 1236 C SER A 81 -10.005 10.892 4.008 1.00 0.00 C ATOM 1237 O SER A 81 -9.455 10.654 5.083 1.00 0.00 O ATOM 1238 CB SER A 81 -10.705 13.118 3.083 1.00 0.00 C ATOM 1239 OG SER A 81 -10.918 13.778 4.327 1.00 0.00 O ATOM 0 H SER A 81 -9.532 12.217 1.072 1.00 0.00 H new ATOM 0 HA SER A 81 -8.717 12.574 3.637 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.471 13.857 2.316 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.624 12.619 2.775 1.00 0.00 H new ATOM 0 HG SER A 81 -11.648 14.426 4.233 1.00 0.00 H new ATOM 1245 N THR A 82 -10.985 10.166 3.490 1.00 0.00 N ATOM 1246 CA THR A 82 -11.497 8.996 4.183 1.00 0.00 C ATOM 1247 C THR A 82 -10.410 7.924 4.294 1.00 0.00 C ATOM 1248 O THR A 82 -9.576 7.971 5.196 1.00 0.00 O ATOM 1249 CB THR A 82 -12.748 8.518 3.444 1.00 0.00 C ATOM 1250 OG1 THR A 82 -12.253 8.041 2.195 1.00 0.00 O ATOM 1251 CG2 THR A 82 -13.677 9.671 3.060 1.00 0.00 C ATOM 0 H THR A 82 -11.438 10.366 2.598 1.00 0.00 H new ATOM 0 HA THR A 82 -11.780 9.236 5.208 1.00 0.00 H new ATOM 0 HB THR A 82 -13.289 7.808 4.069 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.127 8.796 1.583 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.549 9.277 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.999 10.194 3.960 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.146 10.364 2.407 1.00 0.00 H new ATOM 1259 N LYS A 83 -10.455 6.983 3.362 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.484 5.902 3.344 1.00 0.00 C ATOM 1261 C LYS A 83 -8.098 6.460 3.671 1.00 0.00 C ATOM 1262 O LYS A 83 -7.571 7.293 2.936 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.546 5.149 2.013 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.695 4.140 2.006 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.967 4.760 1.423 1.00 0.00 C ATOM 1266 CE LYS A 83 -13.138 4.628 2.398 1.00 0.00 C ATOM 1267 NZ LYS A 83 -14.384 5.134 1.783 1.00 0.00 N ATOM 0 H LYS A 83 -11.148 6.947 2.615 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.720 5.166 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.676 5.858 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.602 4.632 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.412 3.265 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.887 3.795 3.022 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.793 5.812 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.216 4.270 0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.265 3.584 2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.924 5.185 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.169 5.037 2.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.265 6.136 1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.596 4.585 0.925 1.00 0.00 H new ATOM 1281 N PRO A 84 -7.533 5.966 4.805 1.00 0.00 N ATOM 1282 CA PRO A 84 -6.218 6.406 5.239 1.00 0.00 C ATOM 1283 C PRO A 84 -5.119 5.782 4.378 1.00 0.00 C ATOM 1284 O PRO A 84 -4.154 6.453 4.015 1.00 0.00 O ATOM 1285 CB PRO A 84 -6.130 6.000 6.701 1.00 0.00 C ATOM 1286 CG PRO A 84 -7.201 4.941 6.905 1.00 0.00 C ATOM 1287 CD PRO A 84 -8.128 4.978 5.701 1.00 0.00 C ATOM 0 HA PRO A 84 -6.077 7.481 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.142 5.606 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.298 6.856 7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.748 3.955 7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.758 5.133 7.822 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.196 4.001 5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.140 5.263 5.989 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.302 4.506 4.075 1.00 0.00 N ATOM 1296 CA GLY A 85 -4.337 3.783 3.264 1.00 0.00 C ATOM 1297 C GLY A 85 -4.122 4.479 1.918 1.00 0.00 C ATOM 1298 O GLY A 85 -3.085 4.301 1.281 1.00 0.00 O ATOM 0 H GLY A 85 -6.105 3.953 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.389 3.713 3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.686 2.764 3.099 1.00 0.00 H new ATOM 1302 N LEU A 86 -5.120 5.258 1.525 1.00 0.00 N ATOM 1303 CA LEU A 86 -5.054 5.982 0.267 1.00 0.00 C ATOM 1304 C LEU A 86 -4.487 7.380 0.517 1.00 0.00 C ATOM 1305 O LEU A 86 -3.786 7.931 -0.330 1.00 0.00 O ATOM 1306 CB LEU A 86 -6.419 5.986 -0.422 1.00 0.00 C ATOM 1307 CG LEU A 86 -7.054 4.614 -0.662 1.00 0.00 C ATOM 1308 CD1 LEU A 86 -8.527 4.751 -1.049 1.00 0.00 C ATOM 1309 CD2 LEU A 86 -6.261 3.817 -1.700 1.00 0.00 C ATOM 0 H LEU A 86 -5.979 5.403 2.056 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.376 5.482 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.106 6.582 0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.317 6.490 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.018 4.053 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.953 3.762 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.069 5.251 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.610 5.339 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.733 2.846 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.244 4.364 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.240 3.672 -1.346 1.00 0.00 H new ATOM 1321 N GLN A 87 -4.813 7.915 1.686 1.00 0.00 N ATOM 1322 CA GLN A 87 -4.344 9.239 2.059 1.00 0.00 C ATOM 1323 C GLN A 87 -2.816 9.292 2.022 1.00 0.00 C ATOM 1324 O GLN A 87 -2.234 9.876 1.109 1.00 0.00 O ATOM 1325 CB GLN A 87 -4.874 9.639 3.437 1.00 0.00 C ATOM 1326 CG GLN A 87 -4.447 11.064 3.796 1.00 0.00 C ATOM 1327 CD GLN A 87 -5.645 12.017 3.780 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -6.555 11.923 4.587 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -5.593 12.934 2.819 1.00 0.00 N ATOM 0 H GLN A 87 -5.396 7.456 2.386 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.729 9.957 1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.962 9.568 3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.502 8.944 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.985 11.071 4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.693 11.410 3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.801 12.956 2.177 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.345 13.616 2.724 1.00 0.00 H new ATOM 1338 N LYS A 88 -2.210 8.676 3.026 1.00 0.00 N ATOM 1339 CA LYS A 88 -0.760 8.646 3.119 1.00 0.00 C ATOM 1340 C LYS A 88 -0.177 8.180 1.784 1.00 0.00 C ATOM 1341 O LYS A 88 0.715 8.825 1.233 1.00 0.00 O ATOM 1342 CB LYS A 88 -0.318 7.797 4.313 1.00 0.00 C ATOM 1343 CG LYS A 88 -0.360 8.610 5.609 1.00 0.00 C ATOM 1344 CD LYS A 88 -1.441 8.081 6.554 1.00 0.00 C ATOM 1345 CE LYS A 88 -1.592 8.986 7.778 1.00 0.00 C ATOM 1346 NZ LYS A 88 -1.274 8.240 9.016 1.00 0.00 N ATOM 0 H LYS A 88 -2.696 8.194 3.782 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.369 9.646 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.967 6.926 4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.693 7.425 4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.611 8.566 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.554 9.658 5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.392 8.018 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.186 7.071 6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.930 9.847 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.610 9.371 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.381 8.869 9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.922 7.432 9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.294 7.894 8.971 1.00 0.00 H new ATOM 1360 N ALA A 89 -0.703 7.064 1.303 1.00 0.00 N ATOM 1361 CA ALA A 89 -0.245 6.504 0.042 1.00 0.00 C ATOM 1362 C ALA A 89 -0.071 7.631 -0.979 1.00 0.00 C ATOM 1363 O ALA A 89 1.018 7.823 -1.517 1.00 0.00 O ATOM 1364 CB ALA A 89 -1.233 5.436 -0.432 1.00 0.00 C ATOM 0 H ALA A 89 -1.442 6.532 1.763 1.00 0.00 H new ATOM 0 HA ALA A 89 0.723 6.020 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.889 5.016 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.298 4.644 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.216 5.886 -0.571 1.00 0.00 H new ATOM 1370 N SER A 90 -1.161 8.347 -1.213 1.00 0.00 N ATOM 1371 CA SER A 90 -1.143 9.449 -2.159 1.00 0.00 C ATOM 1372 C SER A 90 -0.112 10.493 -1.726 1.00 0.00 C ATOM 1373 O SER A 90 0.681 10.963 -2.541 1.00 0.00 O ATOM 1374 CB SER A 90 -2.526 10.090 -2.285 1.00 0.00 C ATOM 1375 OG SER A 90 -3.099 9.875 -3.572 1.00 0.00 O ATOM 0 H SER A 90 -2.062 8.185 -0.764 1.00 0.00 H new ATOM 0 HA SER A 90 -0.865 9.056 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.187 9.680 -1.521 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.448 11.161 -2.097 1.00 0.00 H new ATOM 0 HG SER A 90 -3.982 10.298 -3.612 1.00 0.00 H new ATOM 1381 N ILE A 91 -0.156 10.825 -0.444 1.00 0.00 N ATOM 1382 CA ILE A 91 0.765 11.805 0.106 1.00 0.00 C ATOM 1383 C ILE A 91 2.191 11.463 -0.332 1.00 0.00 C ATOM 1384 O ILE A 91 2.931 12.335 -0.784 1.00 0.00 O ATOM 1385 CB ILE A 91 0.596 11.905 1.624 1.00 0.00 C ATOM 1386 CG1 ILE A 91 -0.714 12.608 1.985 1.00 0.00 C ATOM 1387 CG2 ILE A 91 1.807 12.584 2.266 1.00 0.00 C ATOM 1388 CD1 ILE A 91 -0.766 12.937 3.478 1.00 0.00 C ATOM 0 H ILE A 91 -0.815 10.433 0.229 1.00 0.00 H new ATOM 0 HA ILE A 91 0.541 12.798 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 91 0.541 10.895 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.811 13.525 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.558 11.971 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.662 12.643 3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.705 12.005 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.918 13.589 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.707 13.436 3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.693 12.016 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.065 13.594 3.735 1.00 0.00 H new ATOM 1400 N PHE A 92 2.532 10.191 -0.184 1.00 0.00 N ATOM 1401 CA PHE A 92 3.856 9.723 -0.560 1.00 0.00 C ATOM 1402 C PHE A 92 4.050 9.788 -2.075 1.00 0.00 C ATOM 1403 O PHE A 92 5.174 9.689 -2.566 1.00 0.00 O ATOM 1404 CB PHE A 92 3.960 8.265 -0.105 1.00 0.00 C ATOM 1405 CG PHE A 92 5.207 7.543 -0.616 1.00 0.00 C ATOM 1406 CD1 PHE A 92 6.408 7.747 -0.011 1.00 0.00 C ATOM 1407 CD2 PHE A 92 5.115 6.695 -1.675 1.00 0.00 C ATOM 1408 CE1 PHE A 92 7.565 7.077 -0.486 1.00 0.00 C ATOM 1409 CE2 PHE A 92 6.274 6.023 -2.150 1.00 0.00 C ATOM 1410 CZ PHE A 92 7.474 6.229 -1.546 1.00 0.00 C ATOM 0 H PHE A 92 1.915 9.470 0.191 1.00 0.00 H new ATOM 0 HA PHE A 92 4.618 10.349 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.955 8.234 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.076 7.725 -0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.481 8.419 0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.161 6.532 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.518 7.240 -0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.201 5.349 -2.991 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.355 5.720 -1.907 1.00 0.00 H new ATOM 1420 N LEU A 93 2.937 9.954 -2.776 1.00 0.00 N ATOM 1421 CA LEU A 93 2.972 10.033 -4.227 1.00 0.00 C ATOM 1422 C LEU A 93 3.114 11.497 -4.650 1.00 0.00 C ATOM 1423 O LEU A 93 3.358 11.788 -5.820 1.00 0.00 O ATOM 1424 CB LEU A 93 1.752 9.335 -4.830 1.00 0.00 C ATOM 1425 CG LEU A 93 1.752 7.806 -4.761 1.00 0.00 C ATOM 1426 CD1 LEU A 93 0.862 7.208 -5.852 1.00 0.00 C ATOM 1427 CD2 LEU A 93 3.178 7.255 -4.815 1.00 0.00 C ATOM 0 H LEU A 93 2.006 10.036 -2.366 1.00 0.00 H new ATOM 0 HA LEU A 93 3.840 9.502 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.860 9.702 -4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.668 9.632 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 93 1.329 7.507 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.880 6.120 -5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.160 7.563 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.231 7.513 -6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.150 6.167 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.652 7.563 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.750 7.643 -3.972 1.00 0.00 H new ATOM 1439 N LYS A 94 2.956 12.380 -3.675 1.00 0.00 N ATOM 1440 CA LYS A 94 3.064 13.806 -3.932 1.00 0.00 C ATOM 1441 C LYS A 94 4.270 14.366 -3.176 1.00 0.00 C ATOM 1442 O LYS A 94 5.044 15.147 -3.726 1.00 0.00 O ATOM 1443 CB LYS A 94 1.748 14.511 -3.599 1.00 0.00 C ATOM 1444 CG LYS A 94 0.763 13.548 -2.933 1.00 0.00 C ATOM 1445 CD LYS A 94 -0.460 14.298 -2.399 1.00 0.00 C ATOM 1446 CE LYS A 94 -1.011 15.267 -3.445 1.00 0.00 C ATOM 1447 NZ LYS A 94 -2.157 16.025 -2.897 1.00 0.00 N ATOM 0 H LYS A 94 2.754 12.135 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 94 3.238 13.990 -4.992 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.941 15.355 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.307 14.915 -4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.446 12.792 -3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.258 13.023 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.234 13.584 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.189 14.847 -1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.228 15.957 -3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.323 14.715 -4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.519 16.678 -3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.910 15.363 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.849 16.567 -2.065 1.00 0.00 H new ATOM 1461 N THR A 95 4.392 13.945 -1.925 1.00 0.00 N ATOM 1462 CA THR A 95 5.491 14.395 -1.088 1.00 0.00 C ATOM 1463 C THR A 95 6.750 13.572 -1.370 1.00 0.00 C ATOM 1464 O THR A 95 7.866 14.065 -1.215 1.00 0.00 O ATOM 1465 CB THR A 95 5.034 14.325 0.370 1.00 0.00 C ATOM 1466 OG1 THR A 95 4.809 12.935 0.597 1.00 0.00 O ATOM 1467 CG2 THR A 95 3.660 14.963 0.585 1.00 0.00 C ATOM 0 H THR A 95 3.748 13.297 -1.471 1.00 0.00 H new ATOM 0 HA THR A 95 5.760 15.428 -1.311 1.00 0.00 H new ATOM 0 HB THR A 95 5.768 14.822 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.275 12.566 -0.137 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.384 14.886 1.637 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.697 16.013 0.295 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.919 14.445 -0.024 1.00 0.00 H new ATOM 1475 N ARG A 96 6.527 12.332 -1.781 1.00 0.00 N ATOM 1476 CA ARG A 96 7.628 11.436 -2.087 1.00 0.00 C ATOM 1477 C ARG A 96 8.548 11.292 -0.874 1.00 0.00 C ATOM 1478 O ARG A 96 9.770 11.295 -1.013 1.00 0.00 O ATOM 1479 CB ARG A 96 8.441 11.949 -3.277 1.00 0.00 C ATOM 1480 CG ARG A 96 7.530 12.577 -4.334 1.00 0.00 C ATOM 1481 CD ARG A 96 6.708 11.507 -5.055 1.00 0.00 C ATOM 1482 NE ARG A 96 7.533 10.847 -6.092 1.00 0.00 N ATOM 1483 CZ ARG A 96 7.179 9.724 -6.732 1.00 0.00 C ATOM 1484 NH1 ARG A 96 6.013 9.129 -6.446 1.00 0.00 N ATOM 1485 NH2 ARG A 96 7.991 9.198 -7.659 1.00 0.00 N ATOM 0 H ARG A 96 5.600 11.927 -1.909 1.00 0.00 H new ATOM 0 HA ARG A 96 7.204 10.465 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.168 12.685 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.004 11.127 -3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.862 13.297 -3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.132 13.127 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.350 10.768 -4.338 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.828 11.960 -5.512 1.00 0.00 H new ATOM 0 HE ARG A 96 8.427 11.274 -6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.395 9.531 -5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.744 8.274 -6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.878 9.652 -7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.722 8.343 -8.147 1.00 0.00 H new ATOM 1499 N VAL A 97 7.926 11.169 0.289 1.00 0.00 N ATOM 1500 CA VAL A 97 8.673 11.024 1.527 1.00 0.00 C ATOM 1501 C VAL A 97 7.748 10.478 2.616 1.00 0.00 C ATOM 1502 O VAL A 97 6.845 11.174 3.075 1.00 0.00 O ATOM 1503 CB VAL A 97 9.321 12.358 1.906 1.00 0.00 C ATOM 1504 CG1 VAL A 97 8.261 13.391 2.294 1.00 0.00 C ATOM 1505 CG2 VAL A 97 10.343 12.171 3.030 1.00 0.00 C ATOM 0 H VAL A 97 6.912 11.167 0.400 1.00 0.00 H new ATOM 0 HA VAL A 97 9.484 10.307 1.401 1.00 0.00 H new ATOM 0 HB VAL A 97 9.851 12.734 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.748 14.330 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.588 13.556 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.691 13.024 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.789 13.134 3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.846 11.762 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.123 11.484 2.702 1.00 0.00 H new ATOM 1515 N VAL A 98 8.006 9.235 2.998 1.00 0.00 N ATOM 1516 CA VAL A 98 7.207 8.587 4.025 1.00 0.00 C ATOM 1517 C VAL A 98 7.353 9.356 5.339 1.00 0.00 C ATOM 1518 O VAL A 98 8.277 10.151 5.498 1.00 0.00 O ATOM 1519 CB VAL A 98 7.606 7.115 4.146 1.00 0.00 C ATOM 1520 CG1 VAL A 98 6.812 6.249 3.165 1.00 0.00 C ATOM 1521 CG2 VAL A 98 9.112 6.936 3.941 1.00 0.00 C ATOM 0 H VAL A 98 8.756 8.660 2.615 1.00 0.00 H new ATOM 0 HA VAL A 98 6.151 8.603 3.755 1.00 0.00 H new ATOM 0 HB VAL A 98 7.364 6.785 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.115 5.207 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.747 6.341 3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.008 6.581 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.369 5.881 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.389 7.292 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.652 7.507 4.696 1.00 0.00 H new ATOM 1531 N PRO A 99 6.401 9.085 6.272 1.00 0.00 N ATOM 1532 CA PRO A 99 6.415 9.742 7.568 1.00 0.00 C ATOM 1533 C PRO A 99 7.510 9.162 8.466 1.00 0.00 C ATOM 1534 O PRO A 99 7.879 7.997 8.326 1.00 0.00 O ATOM 1535 CB PRO A 99 5.017 9.537 8.128 1.00 0.00 C ATOM 1536 CG PRO A 99 4.418 8.383 7.340 1.00 0.00 C ATOM 1537 CD PRO A 99 5.292 8.149 6.118 1.00 0.00 C ATOM 0 HA PRO A 99 6.650 10.804 7.498 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.053 9.306 9.193 1.00 0.00 H new ATOM 0 HB3 PRO A 99 4.416 10.439 8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.373 7.484 7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.396 8.616 7.040 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.646 7.119 6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.742 8.335 5.196 1.00 0.00 H new ATOM 1545 N ASP A 100 7.998 10.001 9.366 1.00 0.00 N ATOM 1546 CA ASP A 100 9.043 9.587 10.286 1.00 0.00 C ATOM 1547 C ASP A 100 8.618 8.294 10.985 1.00 0.00 C ATOM 1548 O ASP A 100 9.460 7.549 11.486 1.00 0.00 O ATOM 1549 CB ASP A 100 9.284 10.649 11.362 1.00 0.00 C ATOM 1550 CG ASP A 100 10.754 10.979 11.628 1.00 0.00 C ATOM 1551 OD1 ASP A 100 11.326 11.723 10.801 1.00 0.00 O ATOM 1552 OD2 ASP A 100 11.271 10.482 12.651 1.00 0.00 O ATOM 0 H ASP A 100 7.689 10.967 9.478 1.00 0.00 H new ATOM 0 HA ASP A 100 9.958 9.441 9.712 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.769 11.564 11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.829 10.311 12.293 1.00 0.00 H new ATOM 1557 N ASN A 101 7.313 8.066 10.996 1.00 0.00 N ATOM 1558 CA ASN A 101 6.767 6.875 11.625 1.00 0.00 C ATOM 1559 C ASN A 101 7.188 5.642 10.823 1.00 0.00 C ATOM 1560 O ASN A 101 6.988 4.512 11.267 1.00 0.00 O ATOM 1561 CB ASN A 101 5.237 6.921 11.653 1.00 0.00 C ATOM 1562 CG ASN A 101 4.699 6.434 12.999 1.00 0.00 C ATOM 1563 OD1 ASN A 101 5.169 5.464 13.571 1.00 0.00 O ATOM 1564 ND2 ASN A 101 3.690 7.160 13.474 1.00 0.00 N ATOM 0 H ASN A 101 6.618 8.685 10.580 1.00 0.00 H new ATOM 0 HA ASN A 101 7.146 6.828 12.646 1.00 0.00 H new ATOM 0 HB2 ASN A 101 4.897 7.940 11.468 1.00 0.00 H new ATOM 0 HB3 ASN A 101 4.836 6.301 10.851 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.263 6.916 14.367 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.344 7.960 12.945 1.00 0.00 H new ATOM 1571 N TRP A 102 7.765 5.900 9.659 1.00 0.00 N ATOM 1572 CA TRP A 102 8.217 4.825 8.793 1.00 0.00 C ATOM 1573 C TRP A 102 9.738 4.725 8.918 1.00 0.00 C ATOM 1574 O TRP A 102 10.274 3.648 9.180 1.00 0.00 O ATOM 1575 CB TRP A 102 7.749 5.047 7.353 1.00 0.00 C ATOM 1576 CG TRP A 102 6.234 4.938 7.168 1.00 0.00 C ATOM 1577 CD1 TRP A 102 5.269 5.293 8.028 1.00 0.00 C ATOM 1578 CD2 TRP A 102 5.545 4.421 6.010 1.00 0.00 C ATOM 1579 NE1 TRP A 102 4.014 5.044 7.511 1.00 0.00 N ATOM 1580 CE2 TRP A 102 4.188 4.498 6.245 1.00 0.00 C ATOM 1581 CE3 TRP A 102 6.052 3.907 4.804 1.00 0.00 C ATOM 1582 CZ2 TRP A 102 3.224 4.078 5.319 1.00 0.00 C ATOM 1583 CZ3 TRP A 102 5.077 3.492 3.889 1.00 0.00 C ATOM 1584 CH2 TRP A 102 3.706 3.562 4.110 1.00 0.00 C ATOM 0 H TRP A 102 7.930 6.839 9.295 1.00 0.00 H new ATOM 0 HA TRP A 102 7.779 3.874 9.098 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.075 6.034 7.024 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.237 4.318 6.706 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.451 5.720 9.003 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.123 5.227 7.973 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.110 3.838 4.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.166 4.148 5.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.413 3.089 2.945 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.016 3.220 3.353 1.00 0.00 H new