USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=19 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 35 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 0:sc= -0.144 USER MOD Single : A 21 SER OG : rot 83:sc= 0.952 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 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -6.22! C(o=-6.2!,f=-12!) USER MOD Single : A 43 THR OG1 : rot 13:sc= 0.306 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 48 GLN : amide:sc= -2.48! C(o=-2.5!,f=-3.8!) USER MOD Single : A 49 CYS SG : rot -82:sc= 0.119 USER MOD Single : A 53 SER OG : rot 82:sc= 1.57 USER MOD Single : A 57 SER OG : rot 180:sc= 0 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 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.598 X(o=-0.6,f=-0.61) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 83:sc= 0.0453 USER MOD Single : A 82 THR OG1 : rot -103:sc= 1! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -112:sc= -6.79! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -58:sc= 0.7 USER MOD Single : A 101 ASN : amide:sc= -0.089 X(o=-0.089,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 111 N GLU A 11 10.301 0.522 -11.168 1.00 0.00 N ATOM 112 CA GLU A 11 9.205 1.430 -11.460 1.00 0.00 C ATOM 113 C GLU A 11 7.990 1.090 -10.595 1.00 0.00 C ATOM 114 O GLU A 11 7.268 1.982 -10.152 1.00 0.00 O ATOM 115 CB GLU A 11 8.846 1.396 -12.946 1.00 0.00 C ATOM 116 CG GLU A 11 8.234 0.049 -13.333 1.00 0.00 C ATOM 117 CD GLU A 11 8.172 -0.110 -14.853 1.00 0.00 C ATOM 118 OE1 GLU A 11 9.240 0.043 -15.484 1.00 0.00 O ATOM 119 OE2 GLU A 11 7.057 -0.380 -15.350 1.00 0.00 O ATOM 0 HA GLU A 11 9.525 2.444 -11.221 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.142 2.197 -13.172 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.739 1.578 -13.544 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.825 -0.760 -12.903 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.231 -0.032 -12.914 1.00 0.00 H new ATOM 126 N LEU A 12 7.800 -0.204 -10.379 1.00 0.00 N ATOM 127 CA LEU A 12 6.685 -0.672 -9.574 1.00 0.00 C ATOM 128 C LEU A 12 7.118 -0.760 -8.109 1.00 0.00 C ATOM 129 O LEU A 12 6.326 -0.493 -7.207 1.00 0.00 O ATOM 130 CB LEU A 12 6.138 -1.989 -10.132 1.00 0.00 C ATOM 131 CG LEU A 12 5.580 -1.932 -11.556 1.00 0.00 C ATOM 132 CD1 LEU A 12 4.805 -3.209 -11.892 1.00 0.00 C ATOM 133 CD2 LEU A 12 4.732 -0.676 -11.764 1.00 0.00 C ATOM 0 H LEU A 12 8.400 -0.942 -10.748 1.00 0.00 H new ATOM 0 HA LEU A 12 5.859 0.037 -9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.935 -2.732 -10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.350 -2.343 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 12 6.419 -1.871 -12.249 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.419 -3.143 -12.909 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.469 -4.070 -11.811 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.975 -3.325 -11.195 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.348 -0.661 -12.784 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.898 -0.680 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.345 0.209 -11.594 1.00 0.00 H new ATOM 145 N LEU A 13 8.375 -1.134 -7.918 1.00 0.00 N ATOM 146 CA LEU A 13 8.923 -1.258 -6.579 1.00 0.00 C ATOM 147 C LEU A 13 9.317 0.126 -6.063 1.00 0.00 C ATOM 148 O LEU A 13 9.717 0.992 -6.840 1.00 0.00 O ATOM 149 CB LEU A 13 10.070 -2.271 -6.562 1.00 0.00 C ATOM 150 CG LEU A 13 11.315 -1.861 -5.774 1.00 0.00 C ATOM 151 CD1 LEU A 13 11.037 -1.858 -4.270 1.00 0.00 C ATOM 152 CD2 LEU A 13 12.510 -2.746 -6.134 1.00 0.00 C ATOM 0 H LEU A 13 9.029 -1.355 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 13 8.171 -1.651 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.695 -3.208 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.366 -2.472 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 13 11.575 -0.840 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.939 -1.563 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.236 -1.152 -4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.737 -2.857 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.381 -2.432 -5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.277 -3.785 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.725 -2.652 -7.199 1.00 0.00 H new ATOM 164 N GLY A 14 9.191 0.293 -4.755 1.00 0.00 N ATOM 165 CA GLY A 14 9.530 1.558 -4.125 1.00 0.00 C ATOM 166 C GLY A 14 8.380 2.559 -4.253 1.00 0.00 C ATOM 167 O GLY A 14 8.470 3.681 -3.757 1.00 0.00 O ATOM 0 H GLY A 14 8.859 -0.427 -4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.759 1.394 -3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.428 1.969 -4.586 1.00 0.00 H new ATOM 171 N LYS A 15 7.324 2.116 -4.920 1.00 0.00 N ATOM 172 CA LYS A 15 6.157 2.960 -5.119 1.00 0.00 C ATOM 173 C LYS A 15 4.937 2.293 -4.481 1.00 0.00 C ATOM 174 O LYS A 15 4.995 1.129 -4.088 1.00 0.00 O ATOM 175 CB LYS A 15 5.976 3.282 -6.603 1.00 0.00 C ATOM 176 CG LYS A 15 5.280 2.131 -7.334 1.00 0.00 C ATOM 177 CD LYS A 15 3.926 2.574 -7.890 1.00 0.00 C ATOM 178 CE LYS A 15 4.105 3.491 -9.102 1.00 0.00 C ATOM 179 NZ LYS A 15 2.822 4.139 -9.456 1.00 0.00 N ATOM 0 H LYS A 15 7.252 1.184 -5.329 1.00 0.00 H new ATOM 0 HA LYS A 15 6.292 3.921 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.389 4.194 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.948 3.472 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.913 1.777 -8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.140 1.293 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.342 1.699 -8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.363 3.095 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.855 4.251 -8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.474 2.915 -9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.961 4.758 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.117 3.410 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.485 4.705 -8.651 1.00 0.00 H new ATOM 193 N VAL A 16 3.858 3.059 -4.398 1.00 0.00 N ATOM 194 CA VAL A 16 2.627 2.557 -3.814 1.00 0.00 C ATOM 195 C VAL A 16 1.969 1.576 -4.787 1.00 0.00 C ATOM 196 O VAL A 16 1.912 1.833 -5.989 1.00 0.00 O ATOM 197 CB VAL A 16 1.714 3.724 -3.434 1.00 0.00 C ATOM 198 CG1 VAL A 16 0.287 3.240 -3.166 1.00 0.00 C ATOM 199 CG2 VAL A 16 2.270 4.485 -2.229 1.00 0.00 C ATOM 0 H VAL A 16 3.812 4.024 -4.726 1.00 0.00 H new ATOM 0 HA VAL A 16 2.836 2.012 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 16 1.681 4.412 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.341 4.090 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.110 2.764 -4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.294 2.521 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.602 5.309 -1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.347 3.810 -1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.257 4.878 -2.471 1.00 0.00 H new ATOM 209 N VAL A 17 1.489 0.473 -4.233 1.00 0.00 N ATOM 210 CA VAL A 17 0.837 -0.547 -5.036 1.00 0.00 C ATOM 211 C VAL A 17 -0.407 -1.050 -4.303 1.00 0.00 C ATOM 212 O VAL A 17 -0.506 -0.928 -3.083 1.00 0.00 O ATOM 213 CB VAL A 17 1.828 -1.664 -5.368 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.919 -1.165 -6.319 1.00 0.00 C ATOM 215 CG2 VAL A 17 2.439 -2.251 -4.094 1.00 0.00 C ATOM 0 H VAL A 17 1.539 0.263 -3.236 1.00 0.00 H new ATOM 0 HA VAL A 17 0.507 -0.130 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 17 1.280 -2.458 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.610 -1.979 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.463 -0.816 -7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.462 -0.344 -5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.140 -3.043 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.965 -1.468 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.648 -2.661 -3.467 1.00 0.00 H new ATOM 225 N SER A 18 -1.328 -1.606 -5.079 1.00 0.00 N ATOM 226 CA SER A 18 -2.562 -2.129 -4.518 1.00 0.00 C ATOM 227 C SER A 18 -2.474 -3.650 -4.385 1.00 0.00 C ATOM 228 O SER A 18 -2.146 -4.343 -5.347 1.00 0.00 O ATOM 229 CB SER A 18 -3.765 -1.740 -5.380 1.00 0.00 C ATOM 230 OG SER A 18 -3.596 -2.129 -6.739 1.00 0.00 O ATOM 0 H SER A 18 -1.244 -1.705 -6.091 1.00 0.00 H new ATOM 0 HA SER A 18 -2.700 -1.693 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.665 -2.207 -4.979 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.915 -0.662 -5.328 1.00 0.00 H new ATOM 0 HG SER A 18 -2.731 -2.577 -6.846 1.00 0.00 H new ATOM 236 N VAL A 19 -2.771 -4.125 -3.184 1.00 0.00 N ATOM 237 CA VAL A 19 -2.729 -5.552 -2.912 1.00 0.00 C ATOM 238 C VAL A 19 -4.145 -6.125 -2.998 1.00 0.00 C ATOM 239 O VAL A 19 -5.087 -5.542 -2.465 1.00 0.00 O ATOM 240 CB VAL A 19 -2.061 -5.808 -1.560 1.00 0.00 C ATOM 241 CG1 VAL A 19 -1.983 -7.306 -1.261 1.00 0.00 C ATOM 242 CG2 VAL A 19 -0.675 -5.165 -1.502 1.00 0.00 C ATOM 0 H VAL A 19 -3.042 -3.547 -2.388 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.125 -6.066 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.678 -5.345 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.504 -7.460 -0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.989 -7.725 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.401 -7.802 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.223 -5.362 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.046 -5.585 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.767 -4.089 -1.647 1.00 0.00 H new ATOM 252 N VAL A 20 -4.250 -7.259 -3.674 1.00 0.00 N ATOM 253 CA VAL A 20 -5.535 -7.918 -3.837 1.00 0.00 C ATOM 254 C VAL A 20 -5.669 -9.031 -2.796 1.00 0.00 C ATOM 255 O VAL A 20 -4.767 -9.851 -2.639 1.00 0.00 O ATOM 256 CB VAL A 20 -5.687 -8.422 -5.274 1.00 0.00 C ATOM 257 CG1 VAL A 20 -7.122 -8.879 -5.546 1.00 0.00 C ATOM 258 CG2 VAL A 20 -5.252 -7.353 -6.279 1.00 0.00 C ATOM 0 H VAL A 20 -3.466 -7.739 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.349 -7.214 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.032 -9.284 -5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.203 -9.232 -6.574 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.382 -9.688 -4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.805 -8.043 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.370 -7.737 -7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.869 -6.463 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.207 -7.096 -6.108 1.00 0.00 H new ATOM 268 N SER A 21 -6.803 -9.022 -2.110 1.00 0.00 N ATOM 269 CA SER A 21 -7.067 -10.021 -1.088 1.00 0.00 C ATOM 270 C SER A 21 -7.380 -11.368 -1.741 1.00 0.00 C ATOM 271 O SER A 21 -8.310 -11.474 -2.539 1.00 0.00 O ATOM 272 CB SER A 21 -8.221 -9.590 -0.181 1.00 0.00 C ATOM 273 OG SER A 21 -8.369 -8.173 -0.143 1.00 0.00 O ATOM 0 H SER A 21 -7.549 -8.339 -2.242 1.00 0.00 H new ATOM 0 HA SER A 21 -6.174 -10.122 -0.471 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.148 -10.042 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.048 -9.964 0.828 1.00 0.00 H new ATOM 0 HG SER A 21 -8.884 -7.877 -0.922 1.00 0.00 H new ATOM 279 N ALA A 22 -6.584 -12.365 -1.379 1.00 0.00 N ATOM 280 CA ALA A 22 -6.765 -13.702 -1.920 1.00 0.00 C ATOM 281 C ALA A 22 -8.193 -14.171 -1.639 1.00 0.00 C ATOM 282 O ALA A 22 -8.874 -14.672 -2.534 1.00 0.00 O ATOM 283 CB ALA A 22 -5.714 -14.639 -1.323 1.00 0.00 C ATOM 0 H ALA A 22 -5.813 -12.273 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.625 -13.702 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.849 -15.642 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.718 -14.276 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.826 -14.667 -0.239 1.00 0.00 H new ATOM 289 N THR A 23 -8.607 -13.994 -0.393 1.00 0.00 N ATOM 290 CA THR A 23 -9.943 -14.393 0.017 1.00 0.00 C ATOM 291 C THR A 23 -10.961 -13.313 -0.356 1.00 0.00 C ATOM 292 O THR A 23 -12.167 -13.544 -0.291 1.00 0.00 O ATOM 293 CB THR A 23 -9.905 -14.702 1.514 1.00 0.00 C ATOM 294 OG1 THR A 23 -9.204 -15.939 1.597 1.00 0.00 O ATOM 295 CG2 THR A 23 -11.290 -15.020 2.082 1.00 0.00 C ATOM 0 H THR A 23 -8.040 -13.579 0.347 1.00 0.00 H new ATOM 0 HA THR A 23 -10.265 -15.293 -0.507 1.00 0.00 H new ATOM 0 HB THR A 23 -9.480 -13.852 2.048 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.133 -16.212 2.535 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.206 -15.232 3.148 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.950 -14.165 1.933 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.702 -15.890 1.570 1.00 0.00 H new ATOM 303 N GLU A 24 -10.437 -12.159 -0.739 1.00 0.00 N ATOM 304 CA GLU A 24 -11.285 -11.043 -1.123 1.00 0.00 C ATOM 305 C GLU A 24 -10.703 -10.330 -2.345 1.00 0.00 C ATOM 306 O GLU A 24 -10.228 -9.200 -2.242 1.00 0.00 O ATOM 307 CB GLU A 24 -11.470 -10.069 0.043 1.00 0.00 C ATOM 308 CG GLU A 24 -12.954 -9.831 0.327 1.00 0.00 C ATOM 309 CD GLU A 24 -13.233 -9.839 1.831 1.00 0.00 C ATOM 310 OE1 GLU A 24 -12.747 -8.904 2.504 1.00 0.00 O ATOM 311 OE2 GLU A 24 -13.926 -10.780 2.275 1.00 0.00 O ATOM 0 H GLU A 24 -9.436 -11.972 -0.792 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.268 -11.433 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.985 -10.466 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.984 -9.121 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.260 -8.875 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.550 -10.603 -0.161 1.00 0.00 H new ATOM 318 N ARG A 25 -10.761 -11.020 -3.475 1.00 0.00 N ATOM 319 CA ARG A 25 -10.246 -10.467 -4.716 1.00 0.00 C ATOM 320 C ARG A 25 -10.676 -9.006 -4.865 1.00 0.00 C ATOM 321 O ARG A 25 -10.004 -8.223 -5.535 1.00 0.00 O ATOM 322 CB ARG A 25 -10.745 -11.263 -5.923 1.00 0.00 C ATOM 323 CG ARG A 25 -10.100 -12.650 -5.970 1.00 0.00 C ATOM 324 CD ARG A 25 -8.886 -12.659 -6.904 1.00 0.00 C ATOM 325 NE ARG A 25 -8.808 -13.952 -7.619 1.00 0.00 N ATOM 326 CZ ARG A 25 -7.696 -14.424 -8.199 1.00 0.00 C ATOM 327 NH1 ARG A 25 -6.562 -13.711 -8.152 1.00 0.00 N ATOM 328 NH2 ARG A 25 -7.717 -15.608 -8.826 1.00 0.00 N ATOM 0 H ARG A 25 -11.157 -11.957 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.158 -10.528 -4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.829 -11.364 -5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.517 -10.721 -6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.794 -12.947 -4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.831 -13.384 -6.310 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.962 -11.841 -7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.974 -12.496 -6.330 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.654 -14.520 -7.674 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.546 -12.810 -7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.715 -14.070 -8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.580 -16.151 -8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.870 -15.967 -9.267 1.00 0.00 H new ATOM 342 N THR A 26 -11.793 -8.683 -4.230 1.00 0.00 N ATOM 343 CA THR A 26 -12.320 -7.331 -4.283 1.00 0.00 C ATOM 344 C THR A 26 -11.478 -6.396 -3.413 1.00 0.00 C ATOM 345 O THR A 26 -10.645 -5.648 -3.923 1.00 0.00 O ATOM 346 CB THR A 26 -13.793 -7.381 -3.872 1.00 0.00 C ATOM 347 OG1 THR A 26 -14.474 -7.756 -5.066 1.00 0.00 O ATOM 348 CG2 THR A 26 -14.356 -5.997 -3.541 1.00 0.00 C ATOM 0 H THR A 26 -12.348 -9.335 -3.676 1.00 0.00 H new ATOM 0 HA THR A 26 -12.263 -6.924 -5.292 1.00 0.00 H new ATOM 0 HB THR A 26 -13.906 -8.035 -3.008 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.436 -7.814 -4.889 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.404 -6.089 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.792 -5.563 -2.716 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.274 -5.352 -4.416 1.00 0.00 H new ATOM 356 N GLU A 27 -11.724 -6.467 -2.112 1.00 0.00 N ATOM 357 CA GLU A 27 -11.000 -5.636 -1.167 1.00 0.00 C ATOM 358 C GLU A 27 -9.523 -5.552 -1.556 1.00 0.00 C ATOM 359 O GLU A 27 -8.892 -6.570 -1.836 1.00 0.00 O ATOM 360 CB GLU A 27 -11.161 -6.162 0.261 1.00 0.00 C ATOM 361 CG GLU A 27 -12.256 -5.397 1.007 1.00 0.00 C ATOM 362 CD GLU A 27 -11.678 -4.644 2.207 1.00 0.00 C ATOM 363 OE1 GLU A 27 -10.699 -3.897 1.991 1.00 0.00 O ATOM 364 OE2 GLU A 27 -12.229 -4.831 3.314 1.00 0.00 O ATOM 0 H GLU A 27 -12.415 -7.088 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.422 -4.631 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.407 -7.224 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.216 -6.066 0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.739 -4.693 0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.025 -6.092 1.345 1.00 0.00 H new ATOM 371 N TRP A 28 -9.014 -4.329 -1.563 1.00 0.00 N ATOM 372 CA TRP A 28 -7.622 -4.098 -1.914 1.00 0.00 C ATOM 373 C TRP A 28 -7.100 -2.949 -1.051 1.00 0.00 C ATOM 374 O TRP A 28 -7.840 -2.015 -0.742 1.00 0.00 O ATOM 375 CB TRP A 28 -7.472 -3.836 -3.414 1.00 0.00 C ATOM 376 CG TRP A 28 -7.946 -2.450 -3.854 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.136 -2.108 -4.365 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.185 -1.224 -3.800 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.198 -0.758 -4.643 1.00 0.00 N ATOM 380 CE2 TRP A 28 -7.975 -0.203 -4.289 1.00 0.00 C ATOM 381 CE3 TRP A 28 -5.873 -0.986 -3.352 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -7.541 1.125 -4.377 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -5.456 0.347 -3.448 1.00 0.00 C ATOM 384 CH2 TRP A 28 -6.238 1.386 -3.937 1.00 0.00 C ATOM 0 H TRP A 28 -9.540 -3.487 -1.331 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.021 -4.985 -1.712 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.424 -3.955 -3.690 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -8.034 -4.592 -3.962 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.945 -2.802 -4.538 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.996 -0.259 -5.036 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.238 -1.769 -2.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.178 1.907 -4.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.455 0.585 -3.119 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.843 2.390 -3.977 1.00 0.00 H new ATOM 395 N TYR A 29 -5.831 -3.053 -0.686 1.00 0.00 N ATOM 396 CA TYR A 29 -5.202 -2.034 0.136 1.00 0.00 C ATOM 397 C TYR A 29 -3.846 -1.623 -0.443 1.00 0.00 C ATOM 398 O TYR A 29 -3.158 -2.435 -1.059 1.00 0.00 O ATOM 399 CB TYR A 29 -4.985 -2.674 1.508 1.00 0.00 C ATOM 400 CG TYR A 29 -3.593 -3.279 1.700 1.00 0.00 C ATOM 401 CD1 TYR A 29 -3.348 -4.582 1.315 1.00 0.00 C ATOM 402 CD2 TYR A 29 -2.581 -2.523 2.256 1.00 0.00 C ATOM 403 CE1 TYR A 29 -2.037 -5.152 1.494 1.00 0.00 C ATOM 404 CE2 TYR A 29 -1.271 -3.093 2.436 1.00 0.00 C ATOM 405 CZ TYR A 29 -1.064 -4.378 2.047 1.00 0.00 C ATOM 406 OH TYR A 29 0.174 -4.917 2.216 1.00 0.00 O ATOM 0 H TYR A 29 -5.221 -3.828 -0.945 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.825 -1.141 0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.152 -1.922 2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.732 -3.454 1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.139 -5.174 0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.772 -1.503 2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.831 -6.170 1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.471 -2.512 2.871 1.00 0.00 H new ATOM 0 HH TYR A 29 0.768 -4.251 2.620 1.00 0.00 H new ATOM 416 N PRO A 30 -3.494 -0.329 -0.217 1.00 0.00 N ATOM 417 CA PRO A 30 -2.233 0.200 -0.709 1.00 0.00 C ATOM 418 C PRO A 30 -1.060 -0.303 0.136 1.00 0.00 C ATOM 419 O PRO A 30 -1.220 -0.578 1.325 1.00 0.00 O ATOM 420 CB PRO A 30 -2.394 1.710 -0.662 1.00 0.00 C ATOM 421 CG PRO A 30 -3.554 1.976 0.285 1.00 0.00 C ATOM 422 CD PRO A 30 -4.283 0.662 0.509 1.00 0.00 C ATOM 0 HA PRO A 30 -2.005 -0.131 -1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.482 2.189 -0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.600 2.112 -1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.190 2.377 1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.229 2.720 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.344 0.419 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.305 0.707 0.133 1.00 0.00 H new ATOM 430 N ALA A 31 0.091 -0.408 -0.511 1.00 0.00 N ATOM 431 CA ALA A 31 1.289 -0.873 0.168 1.00 0.00 C ATOM 432 C ALA A 31 2.516 -0.526 -0.679 1.00 0.00 C ATOM 433 O ALA A 31 2.484 -0.645 -1.903 1.00 0.00 O ATOM 434 CB ALA A 31 1.174 -2.375 0.437 1.00 0.00 C ATOM 0 H ALA A 31 0.220 -0.180 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 31 1.401 -0.377 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.073 -2.723 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.304 -2.567 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.064 -2.907 -0.508 1.00 0.00 H new ATOM 440 N LEU A 32 3.568 -0.104 0.006 1.00 0.00 N ATOM 441 CA LEU A 32 4.803 0.262 -0.668 1.00 0.00 C ATOM 442 C LEU A 32 5.711 -0.967 -0.759 1.00 0.00 C ATOM 443 O LEU A 32 6.162 -1.487 0.260 1.00 0.00 O ATOM 444 CB LEU A 32 5.456 1.460 0.025 1.00 0.00 C ATOM 445 CG LEU A 32 6.706 2.026 -0.654 1.00 0.00 C ATOM 446 CD1 LEU A 32 6.365 2.632 -2.016 1.00 0.00 C ATOM 447 CD2 LEU A 32 7.418 3.027 0.258 1.00 0.00 C ATOM 0 H LEU A 32 3.591 -0.007 1.021 1.00 0.00 H new ATOM 0 HA LEU A 32 4.600 0.586 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.717 2.257 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.719 1.168 1.042 1.00 0.00 H new ATOM 0 HG LEU A 32 7.399 1.204 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.271 3.026 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.937 1.863 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.644 3.439 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.303 3.414 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.743 3.851 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.716 2.530 1.181 1.00 0.00 H new ATOM 459 N VAL A 33 5.953 -1.393 -1.990 1.00 0.00 N ATOM 460 CA VAL A 33 6.799 -2.550 -2.228 1.00 0.00 C ATOM 461 C VAL A 33 8.211 -2.257 -1.717 1.00 0.00 C ATOM 462 O VAL A 33 8.670 -1.116 -1.768 1.00 0.00 O ATOM 463 CB VAL A 33 6.766 -2.926 -3.711 1.00 0.00 C ATOM 464 CG1 VAL A 33 7.764 -4.045 -4.014 1.00 0.00 C ATOM 465 CG2 VAL A 33 5.352 -3.320 -4.145 1.00 0.00 C ATOM 0 H VAL A 33 5.578 -0.958 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 33 6.427 -3.415 -1.679 1.00 0.00 H new ATOM 0 HB VAL A 33 7.061 -2.049 -4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.721 -4.294 -5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.771 -3.713 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.512 -4.926 -3.424 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.356 -3.583 -5.203 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.017 -4.176 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.675 -2.482 -3.982 1.00 0.00 H new ATOM 475 N ILE A 34 8.862 -3.306 -1.237 1.00 0.00 N ATOM 476 CA ILE A 34 10.213 -3.176 -0.718 1.00 0.00 C ATOM 477 C ILE A 34 10.899 -4.543 -0.743 1.00 0.00 C ATOM 478 O ILE A 34 10.337 -5.514 -1.249 1.00 0.00 O ATOM 479 CB ILE A 34 10.194 -2.523 0.666 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.920 -2.891 1.429 1.00 0.00 C ATOM 481 CG2 ILE A 34 10.381 -1.008 0.561 1.00 0.00 C ATOM 482 CD1 ILE A 34 9.041 -2.523 2.909 1.00 0.00 C ATOM 0 H ILE A 34 8.479 -4.250 -1.196 1.00 0.00 H new ATOM 0 HA ILE A 34 10.802 -2.512 -1.351 1.00 0.00 H new ATOM 0 HB ILE A 34 11.036 -2.913 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.067 -2.373 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.729 -3.960 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.363 -0.569 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.338 -0.792 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.575 -0.582 -0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.122 -2.795 3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.880 -3.061 3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.208 -1.450 3.005 1.00 0.00 H new ATOM 494 N SER A 35 12.102 -4.576 -0.191 1.00 0.00 N ATOM 495 CA SER A 35 12.872 -5.808 -0.145 1.00 0.00 C ATOM 496 C SER A 35 13.344 -6.076 1.285 1.00 0.00 C ATOM 497 O SER A 35 13.623 -5.142 2.036 1.00 0.00 O ATOM 498 CB SER A 35 14.068 -5.748 -1.097 1.00 0.00 C ATOM 499 OG SER A 35 15.229 -6.351 -0.534 1.00 0.00 O ATOM 0 H SER A 35 12.564 -3.769 0.229 1.00 0.00 H new ATOM 0 HA SER A 35 12.228 -6.626 -0.468 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.814 -6.251 -2.030 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.283 -4.708 -1.344 1.00 0.00 H new ATOM 0 HG SER A 35 15.970 -6.294 -1.173 1.00 0.00 H new ATOM 505 N PRO A 36 13.423 -7.390 1.628 1.00 0.00 N ATOM 506 CA PRO A 36 13.858 -7.791 2.955 1.00 0.00 C ATOM 507 C PRO A 36 15.371 -7.625 3.111 1.00 0.00 C ATOM 508 O PRO A 36 16.142 -8.475 2.666 1.00 0.00 O ATOM 509 CB PRO A 36 13.401 -9.235 3.097 1.00 0.00 C ATOM 510 CG PRO A 36 13.144 -9.732 1.685 1.00 0.00 C ATOM 511 CD PRO A 36 13.101 -8.522 0.765 1.00 0.00 C ATOM 0 HA PRO A 36 13.431 -7.171 3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.162 -9.839 3.591 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.498 -9.301 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.930 -10.420 1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.203 -10.280 1.639 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.820 -8.617 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.118 -8.406 0.309 1.00 0.00 H new ATOM 519 N SER A 37 15.751 -6.524 3.741 1.00 0.00 N ATOM 520 CA SER A 37 17.158 -6.234 3.961 1.00 0.00 C ATOM 521 C SER A 37 17.510 -6.435 5.436 1.00 0.00 C ATOM 522 O SER A 37 18.414 -7.202 5.763 1.00 0.00 O ATOM 523 CB SER A 37 17.503 -4.810 3.521 1.00 0.00 C ATOM 524 OG SER A 37 17.321 -4.625 2.120 1.00 0.00 O ATOM 0 H SER A 37 15.109 -5.821 4.107 1.00 0.00 H new ATOM 0 HA SER A 37 17.747 -6.924 3.357 1.00 0.00 H new ATOM 0 HB2 SER A 37 16.878 -4.101 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 37 18.538 -4.590 3.784 1.00 0.00 H new ATOM 0 HG SER A 37 17.550 -3.703 1.879 1.00 0.00 H new ATOM 530 N CYS A 38 16.777 -5.732 6.287 1.00 0.00 N ATOM 531 CA CYS A 38 16.999 -5.823 7.720 1.00 0.00 C ATOM 532 C CYS A 38 16.128 -6.954 8.271 1.00 0.00 C ATOM 533 O CYS A 38 16.642 -7.938 8.798 1.00 0.00 O ATOM 534 CB CYS A 38 16.719 -4.493 8.421 1.00 0.00 C ATOM 535 SG CYS A 38 18.279 -3.562 8.643 1.00 0.00 S ATOM 0 H CYS A 38 16.028 -5.097 6.011 1.00 0.00 H new ATOM 0 HA CYS A 38 18.048 -6.047 7.914 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.015 -3.904 7.833 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.253 -4.674 9.390 1.00 0.00 H new ATOM 0 HG CYS A 38 18.030 -2.433 9.237 1.00 0.00 H new ATOM 541 N ASN A 39 14.823 -6.774 8.129 1.00 0.00 N ATOM 542 CA ASN A 39 13.875 -7.767 8.606 1.00 0.00 C ATOM 543 C ASN A 39 14.279 -9.145 8.080 1.00 0.00 C ATOM 544 O ASN A 39 14.530 -9.310 6.887 1.00 0.00 O ATOM 545 CB ASN A 39 12.462 -7.466 8.104 1.00 0.00 C ATOM 546 CG ASN A 39 12.393 -7.547 6.578 1.00 0.00 C ATOM 547 OD1 ASN A 39 13.304 -7.155 5.868 1.00 0.00 O ATOM 548 ND2 ASN A 39 11.264 -8.076 6.115 1.00 0.00 N ATOM 0 H ASN A 39 14.400 -5.956 7.691 1.00 0.00 H new ATOM 0 HA ASN A 39 13.883 -7.744 9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.758 -8.174 8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.160 -6.472 8.433 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.121 -8.173 5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.541 -8.384 6.765 1.00 0.00 H new ATOM 555 N ASP A 40 14.329 -10.103 8.995 1.00 0.00 N ATOM 556 CA ASP A 40 14.698 -11.461 8.639 1.00 0.00 C ATOM 557 C ASP A 40 13.593 -12.420 9.088 1.00 0.00 C ATOM 558 O ASP A 40 13.167 -13.283 8.322 1.00 0.00 O ATOM 559 CB ASP A 40 15.997 -11.879 9.331 1.00 0.00 C ATOM 560 CG ASP A 40 17.217 -11.977 8.414 1.00 0.00 C ATOM 561 OD1 ASP A 40 17.041 -11.711 7.205 1.00 0.00 O ATOM 562 OD2 ASP A 40 18.298 -12.315 8.942 1.00 0.00 O ATOM 0 H ASP A 40 14.120 -9.964 9.984 1.00 0.00 H new ATOM 0 HA ASP A 40 14.837 -11.500 7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.214 -11.164 10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.841 -12.847 9.808 1.00 0.00 H new ATOM 567 N ASP A 41 13.161 -12.236 10.327 1.00 0.00 N ATOM 568 CA ASP A 41 12.114 -13.073 10.886 1.00 0.00 C ATOM 569 C ASP A 41 10.982 -13.216 9.867 1.00 0.00 C ATOM 570 O ASP A 41 10.575 -14.329 9.537 1.00 0.00 O ATOM 571 CB ASP A 41 11.531 -12.451 12.156 1.00 0.00 C ATOM 572 CG ASP A 41 12.247 -12.836 13.452 1.00 0.00 C ATOM 573 OD1 ASP A 41 13.300 -13.500 13.343 1.00 0.00 O ATOM 574 OD2 ASP A 41 11.724 -12.456 14.523 1.00 0.00 O ATOM 0 H ASP A 41 13.517 -11.519 10.959 1.00 0.00 H new ATOM 0 HA ASP A 41 12.550 -14.043 11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.554 -11.366 12.055 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.484 -12.742 12.237 1.00 0.00 H new ATOM 579 N ILE A 42 10.505 -12.074 9.395 1.00 0.00 N ATOM 580 CA ILE A 42 9.428 -12.057 8.421 1.00 0.00 C ATOM 581 C ILE A 42 9.948 -12.589 7.083 1.00 0.00 C ATOM 582 O ILE A 42 9.985 -11.859 6.094 1.00 0.00 O ATOM 583 CB ILE A 42 8.808 -10.661 8.330 1.00 0.00 C ATOM 584 CG1 ILE A 42 8.266 -10.212 9.688 1.00 0.00 C ATOM 585 CG2 ILE A 42 7.737 -10.607 7.238 1.00 0.00 C ATOM 586 CD1 ILE A 42 9.167 -9.144 10.311 1.00 0.00 C ATOM 0 H ILE A 42 10.845 -11.153 9.670 1.00 0.00 H new ATOM 0 HA ILE A 42 8.620 -12.718 8.735 1.00 0.00 H new ATOM 0 HB ILE A 42 9.591 -9.957 8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.257 -9.817 9.569 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.196 -11.069 10.357 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.312 -9.604 7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.186 -10.853 6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.949 -11.325 7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.760 -8.842 11.276 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.169 -9.550 10.451 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.215 -8.278 9.650 1.00 0.00 H new ATOM 598 N THR A 43 10.337 -13.854 7.097 1.00 0.00 N ATOM 599 CA THR A 43 10.854 -14.492 5.897 1.00 0.00 C ATOM 600 C THR A 43 9.879 -14.306 4.733 1.00 0.00 C ATOM 601 O THR A 43 8.699 -14.636 4.848 1.00 0.00 O ATOM 602 CB THR A 43 11.137 -15.959 6.226 1.00 0.00 C ATOM 603 OG1 THR A 43 12.299 -15.913 7.048 1.00 0.00 O ATOM 604 CG2 THR A 43 11.580 -16.759 4.999 1.00 0.00 C ATOM 0 H THR A 43 10.305 -14.456 7.920 1.00 0.00 H new ATOM 0 HA THR A 43 11.788 -14.031 5.574 1.00 0.00 H new ATOM 0 HB THR A 43 10.243 -16.414 6.653 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.461 -14.990 7.334 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.768 -17.793 5.287 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.795 -16.730 4.243 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.493 -16.324 4.591 1.00 0.00 H new ATOM 612 N VAL A 44 10.407 -13.779 3.638 1.00 0.00 N ATOM 613 CA VAL A 44 9.598 -13.547 2.454 1.00 0.00 C ATOM 614 C VAL A 44 9.791 -14.706 1.475 1.00 0.00 C ATOM 615 O VAL A 44 10.921 -15.093 1.180 1.00 0.00 O ATOM 616 CB VAL A 44 9.941 -12.186 1.845 1.00 0.00 C ATOM 617 CG1 VAL A 44 9.194 -11.970 0.528 1.00 0.00 C ATOM 618 CG2 VAL A 44 9.650 -11.054 2.833 1.00 0.00 C ATOM 0 H VAL A 44 11.385 -13.506 3.546 1.00 0.00 H new ATOM 0 HA VAL A 44 8.540 -13.514 2.714 1.00 0.00 H new ATOM 0 HB VAL A 44 11.009 -12.176 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.456 -10.995 0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.473 -12.750 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.120 -12.011 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.903 -10.098 2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.592 -11.063 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.248 -11.194 3.733 1.00 0.00 H new ATOM 628 N LYS A 45 8.671 -15.227 0.996 1.00 0.00 N ATOM 629 CA LYS A 45 8.703 -16.333 0.055 1.00 0.00 C ATOM 630 C LYS A 45 9.413 -15.889 -1.225 1.00 0.00 C ATOM 631 O LYS A 45 9.809 -14.732 -1.350 1.00 0.00 O ATOM 632 CB LYS A 45 7.291 -16.875 -0.182 1.00 0.00 C ATOM 633 CG LYS A 45 7.041 -18.135 0.651 1.00 0.00 C ATOM 634 CD LYS A 45 7.089 -17.820 2.148 1.00 0.00 C ATOM 635 CE LYS A 45 7.298 -19.093 2.969 1.00 0.00 C ATOM 636 NZ LYS A 45 6.081 -19.414 3.748 1.00 0.00 N ATOM 0 H LYS A 45 7.736 -14.903 1.242 1.00 0.00 H new ATOM 0 HA LYS A 45 9.276 -17.165 0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.557 -16.112 0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.157 -17.101 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.069 -18.558 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.790 -18.889 0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.897 -17.116 2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.161 -17.336 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.543 -19.924 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.145 -18.963 3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.241 -20.281 4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.865 -18.628 4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.281 -19.559 3.099 1.00 0.00 H new ATOM 650 N LYS A 46 9.552 -16.833 -2.145 1.00 0.00 N ATOM 651 CA LYS A 46 10.208 -16.554 -3.410 1.00 0.00 C ATOM 652 C LYS A 46 9.217 -15.868 -4.354 1.00 0.00 C ATOM 653 O LYS A 46 9.587 -14.964 -5.100 1.00 0.00 O ATOM 654 CB LYS A 46 10.825 -17.829 -3.988 1.00 0.00 C ATOM 655 CG LYS A 46 12.127 -17.521 -4.731 1.00 0.00 C ATOM 656 CD LYS A 46 12.289 -18.429 -5.951 1.00 0.00 C ATOM 657 CE LYS A 46 13.694 -18.304 -6.545 1.00 0.00 C ATOM 658 NZ LYS A 46 14.387 -19.611 -6.519 1.00 0.00 N ATOM 0 H LYS A 46 9.221 -17.792 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 46 11.039 -15.864 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.020 -18.539 -3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.118 -18.303 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.132 -16.478 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.974 -17.655 -4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.102 -19.464 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.547 -18.167 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.630 -17.940 -7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.269 -17.570 -5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.339 -19.508 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.465 -19.943 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.846 -20.302 -7.076 1.00 0.00 H new ATOM 672 N ASP A 47 7.975 -16.327 -4.289 1.00 0.00 N ATOM 673 CA ASP A 47 6.928 -15.770 -5.128 1.00 0.00 C ATOM 674 C ASP A 47 6.184 -14.680 -4.352 1.00 0.00 C ATOM 675 O ASP A 47 5.022 -14.394 -4.635 1.00 0.00 O ATOM 676 CB ASP A 47 5.912 -16.843 -5.525 1.00 0.00 C ATOM 677 CG ASP A 47 5.254 -16.635 -6.892 1.00 0.00 C ATOM 678 OD1 ASP A 47 5.281 -15.479 -7.365 1.00 0.00 O ATOM 679 OD2 ASP A 47 4.740 -17.639 -7.432 1.00 0.00 O ATOM 0 H ASP A 47 7.671 -17.078 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 47 7.395 -15.365 -6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.410 -17.813 -5.522 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.132 -16.883 -4.765 1.00 0.00 H new ATOM 684 N GLN A 48 6.885 -14.102 -3.389 1.00 0.00 N ATOM 685 CA GLN A 48 6.307 -13.050 -2.570 1.00 0.00 C ATOM 686 C GLN A 48 7.323 -11.926 -2.355 1.00 0.00 C ATOM 687 O GLN A 48 8.521 -12.121 -2.550 1.00 0.00 O ATOM 688 CB GLN A 48 5.811 -13.605 -1.233 1.00 0.00 C ATOM 689 CG GLN A 48 4.440 -14.266 -1.389 1.00 0.00 C ATOM 690 CD GLN A 48 4.282 -15.435 -0.414 1.00 0.00 C ATOM 691 OE1 GLN A 48 4.502 -16.589 -0.747 1.00 0.00 O ATOM 692 NE2 GLN A 48 3.888 -15.074 0.804 1.00 0.00 N ATOM 0 H GLN A 48 7.849 -14.342 -3.157 1.00 0.00 H new ATOM 0 HA GLN A 48 5.446 -12.639 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.527 -14.331 -0.848 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.749 -12.800 -0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.655 -13.531 -1.211 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.318 -14.622 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.722 -14.090 1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.752 -15.781 1.527 1.00 0.00 H new ATOM 701 N CYS A 49 6.806 -10.773 -1.953 1.00 0.00 N ATOM 702 CA CYS A 49 7.652 -9.618 -1.709 1.00 0.00 C ATOM 703 C CYS A 49 7.101 -8.867 -0.495 1.00 0.00 C ATOM 704 O CYS A 49 5.925 -9.003 -0.157 1.00 0.00 O ATOM 705 CB CYS A 49 7.749 -8.717 -2.942 1.00 0.00 C ATOM 706 SG CYS A 49 9.495 -8.270 -3.254 1.00 0.00 S ATOM 0 H CYS A 49 5.812 -10.615 -1.790 1.00 0.00 H new ATOM 0 HA CYS A 49 8.670 -9.947 -1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.335 -9.229 -3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.155 -7.815 -2.791 1.00 0.00 H new ATOM 0 HG CYS A 49 9.832 -7.275 -2.488 1.00 0.00 H new ATOM 712 N LEU A 50 7.976 -8.093 0.128 1.00 0.00 N ATOM 713 CA LEU A 50 7.593 -7.320 1.298 1.00 0.00 C ATOM 714 C LEU A 50 7.055 -5.960 0.850 1.00 0.00 C ATOM 715 O LEU A 50 7.568 -5.365 -0.096 1.00 0.00 O ATOM 716 CB LEU A 50 8.758 -7.226 2.285 1.00 0.00 C ATOM 717 CG LEU A 50 8.432 -6.623 3.652 1.00 0.00 C ATOM 718 CD1 LEU A 50 7.619 -7.601 4.502 1.00 0.00 C ATOM 719 CD2 LEU A 50 9.705 -6.164 4.366 1.00 0.00 C ATOM 0 H LEU A 50 8.950 -7.984 -0.155 1.00 0.00 H new ATOM 0 HA LEU A 50 6.789 -7.820 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.160 -8.228 2.438 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.549 -6.632 1.827 1.00 0.00 H new ATOM 0 HG LEU A 50 7.813 -5.739 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.400 -7.148 5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.685 -7.837 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.192 -8.516 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.445 -5.739 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.369 -7.016 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.209 -5.409 3.762 1.00 0.00 H new ATOM 731 N VAL A 51 6.026 -5.506 1.552 1.00 0.00 N ATOM 732 CA VAL A 51 5.412 -4.227 1.240 1.00 0.00 C ATOM 733 C VAL A 51 5.162 -3.455 2.537 1.00 0.00 C ATOM 734 O VAL A 51 5.236 -4.024 3.625 1.00 0.00 O ATOM 735 CB VAL A 51 4.139 -4.444 0.418 1.00 0.00 C ATOM 736 CG1 VAL A 51 4.459 -5.108 -0.923 1.00 0.00 C ATOM 737 CG2 VAL A 51 3.113 -5.261 1.204 1.00 0.00 C ATOM 0 H VAL A 51 5.602 -6.002 2.336 1.00 0.00 H new ATOM 0 HA VAL A 51 6.080 -3.623 0.626 1.00 0.00 H new ATOM 0 HB VAL A 51 3.702 -3.467 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.537 -5.251 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.138 -4.472 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.930 -6.075 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.218 -5.401 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.537 -6.233 1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.851 -4.732 2.120 1.00 0.00 H new ATOM 747 N ARG A 52 4.871 -2.172 2.378 1.00 0.00 N ATOM 748 CA ARG A 52 4.609 -1.317 3.523 1.00 0.00 C ATOM 749 C ARG A 52 3.245 -0.640 3.380 1.00 0.00 C ATOM 750 O ARG A 52 3.088 0.284 2.582 1.00 0.00 O ATOM 751 CB ARG A 52 5.691 -0.245 3.668 1.00 0.00 C ATOM 752 CG ARG A 52 6.436 -0.393 4.996 1.00 0.00 C ATOM 753 CD ARG A 52 7.805 0.288 4.936 1.00 0.00 C ATOM 754 NE ARG A 52 8.218 0.714 6.292 1.00 0.00 N ATOM 755 CZ ARG A 52 9.492 0.896 6.666 1.00 0.00 C ATOM 756 NH1 ARG A 52 10.484 0.691 5.790 1.00 0.00 N ATOM 757 NH2 ARG A 52 9.773 1.282 7.919 1.00 0.00 N ATOM 0 H ARG A 52 4.811 -1.704 1.474 1.00 0.00 H new ATOM 0 HA ARG A 52 4.614 -1.945 4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.397 -0.321 2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.238 0.744 3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.844 0.044 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.562 -1.450 5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.544 -0.398 4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.762 1.151 4.272 1.00 0.00 H new ATOM 0 HE ARG A 52 7.488 0.879 6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.270 0.396 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.453 0.830 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.017 1.437 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.742 1.421 8.205 1.00 0.00 H new ATOM 771 N SER A 53 2.294 -1.125 4.164 1.00 0.00 N ATOM 772 CA SER A 53 0.948 -0.577 4.134 1.00 0.00 C ATOM 773 C SER A 53 0.972 0.893 4.559 1.00 0.00 C ATOM 774 O SER A 53 1.860 1.316 5.296 1.00 0.00 O ATOM 775 CB SER A 53 0.008 -1.376 5.039 1.00 0.00 C ATOM 776 OG SER A 53 -1.360 -1.055 4.804 1.00 0.00 O ATOM 0 H SER A 53 2.428 -1.891 4.824 1.00 0.00 H new ATOM 0 HA SER A 53 0.573 -0.647 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.164 -2.442 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.253 -1.177 6.082 1.00 0.00 H new ATOM 0 HG SER A 53 -1.687 -1.561 4.031 1.00 0.00 H new ATOM 782 N PHE A 54 -0.017 1.631 4.075 1.00 0.00 N ATOM 783 CA PHE A 54 -0.121 3.044 4.395 1.00 0.00 C ATOM 784 C PHE A 54 -1.299 3.308 5.337 1.00 0.00 C ATOM 785 O PHE A 54 -1.728 4.450 5.494 1.00 0.00 O ATOM 786 CB PHE A 54 -0.360 3.785 3.078 1.00 0.00 C ATOM 787 CG PHE A 54 0.887 3.912 2.201 1.00 0.00 C ATOM 788 CD1 PHE A 54 1.791 4.898 2.443 1.00 0.00 C ATOM 789 CD2 PHE A 54 1.090 3.040 1.178 1.00 0.00 C ATOM 790 CE1 PHE A 54 2.949 5.016 1.629 1.00 0.00 C ATOM 791 CE2 PHE A 54 2.246 3.158 0.362 1.00 0.00 C ATOM 792 CZ PHE A 54 3.152 4.143 0.605 1.00 0.00 C ATOM 0 H PHE A 54 -0.753 1.277 3.464 1.00 0.00 H new ATOM 0 HA PHE A 54 0.789 3.381 4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.136 3.265 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.740 4.783 3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.629 5.592 3.255 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.371 2.257 0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.668 5.798 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.406 2.466 -0.451 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.032 4.232 -0.014 1.00 0.00 H new ATOM 802 N ILE A 55 -1.787 2.233 5.937 1.00 0.00 N ATOM 803 CA ILE A 55 -2.906 2.334 6.858 1.00 0.00 C ATOM 804 C ILE A 55 -2.380 2.345 8.294 1.00 0.00 C ATOM 805 O ILE A 55 -2.526 3.340 9.004 1.00 0.00 O ATOM 806 CB ILE A 55 -3.926 1.226 6.585 1.00 0.00 C ATOM 807 CG1 ILE A 55 -4.478 1.325 5.162 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.039 1.235 7.635 1.00 0.00 C ATOM 809 CD1 ILE A 55 -5.232 0.051 4.776 1.00 0.00 C ATOM 0 H ILE A 55 -1.428 1.288 5.804 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.440 3.272 6.707 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.416 0.266 6.664 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.145 2.184 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.660 1.494 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.750 0.438 7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.608 1.077 8.624 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.553 2.196 7.612 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.614 0.148 3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.556 -0.802 4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.064 -0.102 5.463 1.00 0.00 H new ATOM 821 N ASP A 56 -1.779 1.229 8.680 1.00 0.00 N ATOM 822 CA ASP A 56 -1.230 1.099 10.019 1.00 0.00 C ATOM 823 C ASP A 56 0.297 1.175 9.949 1.00 0.00 C ATOM 824 O ASP A 56 0.963 1.289 10.976 1.00 0.00 O ATOM 825 CB ASP A 56 -1.609 -0.246 10.641 1.00 0.00 C ATOM 826 CG ASP A 56 -1.231 -0.406 12.115 1.00 0.00 C ATOM 827 OD1 ASP A 56 -2.023 0.068 12.959 1.00 0.00 O ATOM 828 OD2 ASP A 56 -0.159 -0.999 12.365 1.00 0.00 O ATOM 0 H ASP A 56 -1.660 0.406 8.089 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.635 1.906 10.630 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.685 -0.385 10.540 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.130 -1.041 10.070 1.00 0.00 H new ATOM 833 N SER A 57 0.805 1.109 8.728 1.00 0.00 N ATOM 834 CA SER A 57 2.241 1.167 8.511 1.00 0.00 C ATOM 835 C SER A 57 2.903 -0.106 9.041 1.00 0.00 C ATOM 836 O SER A 57 3.867 -0.037 9.802 1.00 0.00 O ATOM 837 CB SER A 57 2.848 2.401 9.181 1.00 0.00 C ATOM 838 OG SER A 57 2.182 3.601 8.797 1.00 0.00 O ATOM 0 H SER A 57 0.248 1.016 7.878 1.00 0.00 H new ATOM 0 HA SER A 57 2.423 1.242 7.439 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.795 2.288 10.264 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.904 2.473 8.919 1.00 0.00 H new ATOM 0 HG SER A 57 2.599 4.365 9.248 1.00 0.00 H new ATOM 844 N LYS A 58 2.360 -1.237 8.618 1.00 0.00 N ATOM 845 CA LYS A 58 2.886 -2.524 9.040 1.00 0.00 C ATOM 846 C LYS A 58 3.560 -3.211 7.851 1.00 0.00 C ATOM 847 O LYS A 58 3.458 -2.740 6.719 1.00 0.00 O ATOM 848 CB LYS A 58 1.787 -3.364 9.694 1.00 0.00 C ATOM 849 CG LYS A 58 1.477 -2.859 11.105 1.00 0.00 C ATOM 850 CD LYS A 58 2.109 -3.767 12.163 1.00 0.00 C ATOM 851 CE LYS A 58 2.501 -2.969 13.407 1.00 0.00 C ATOM 852 NZ LYS A 58 2.315 -3.785 14.627 1.00 0.00 N ATOM 0 H LYS A 58 1.560 -1.289 7.987 1.00 0.00 H new ATOM 0 HA LYS A 58 3.651 -2.390 9.805 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.884 -3.327 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.099 -4.407 9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.852 -1.842 11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.398 -2.819 11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.407 -4.554 12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.990 -4.256 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.541 -2.652 13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.896 -2.065 13.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.586 -3.228 15.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.317 -4.067 14.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.911 -4.635 14.570 1.00 0.00 H new ATOM 866 N PHE A 59 4.233 -4.312 8.147 1.00 0.00 N ATOM 867 CA PHE A 59 4.924 -5.068 7.116 1.00 0.00 C ATOM 868 C PHE A 59 4.176 -6.364 6.794 1.00 0.00 C ATOM 869 O PHE A 59 4.062 -7.247 7.643 1.00 0.00 O ATOM 870 CB PHE A 59 6.308 -5.416 7.667 1.00 0.00 C ATOM 871 CG PHE A 59 7.300 -4.251 7.637 1.00 0.00 C ATOM 872 CD1 PHE A 59 7.740 -3.764 6.447 1.00 0.00 C ATOM 873 CD2 PHE A 59 7.741 -3.703 8.802 1.00 0.00 C ATOM 874 CE1 PHE A 59 8.661 -2.684 6.419 1.00 0.00 C ATOM 875 CE2 PHE A 59 8.662 -2.623 8.774 1.00 0.00 C ATOM 876 CZ PHE A 59 9.102 -2.135 7.583 1.00 0.00 C ATOM 0 H PHE A 59 4.315 -4.700 9.087 1.00 0.00 H new ATOM 0 HA PHE A 59 4.987 -4.478 6.201 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.202 -5.763 8.695 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.719 -6.245 7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.389 -4.199 5.523 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.390 -4.090 9.748 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.012 -2.298 5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.013 -2.189 9.698 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.801 -1.312 7.561 1.00 0.00 H new ATOM 886 N TYR A 60 3.687 -6.437 5.565 1.00 0.00 N ATOM 887 CA TYR A 60 2.954 -7.610 5.120 1.00 0.00 C ATOM 888 C TYR A 60 3.700 -8.327 3.993 1.00 0.00 C ATOM 889 O TYR A 60 4.470 -7.708 3.260 1.00 0.00 O ATOM 890 CB TYR A 60 1.617 -7.093 4.582 1.00 0.00 C ATOM 891 CG TYR A 60 0.703 -6.500 5.654 1.00 0.00 C ATOM 892 CD1 TYR A 60 0.812 -5.167 5.995 1.00 0.00 C ATOM 893 CD2 TYR A 60 -0.231 -7.298 6.283 1.00 0.00 C ATOM 894 CE1 TYR A 60 -0.049 -4.609 7.006 1.00 0.00 C ATOM 895 CE2 TYR A 60 -1.094 -6.739 7.293 1.00 0.00 C ATOM 896 CZ TYR A 60 -0.960 -5.423 7.604 1.00 0.00 C ATOM 897 OH TYR A 60 -1.773 -4.896 8.558 1.00 0.00 O ATOM 0 H TYR A 60 3.784 -5.703 4.863 1.00 0.00 H new ATOM 0 HA TYR A 60 2.829 -8.318 5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.811 -6.334 3.824 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.095 -7.912 4.087 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.543 -4.542 5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.315 -8.342 6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.027 -3.568 7.283 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.830 -7.352 7.791 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.374 -5.592 8.897 1.00 0.00 H new ATOM 907 N SER A 61 3.446 -9.624 3.890 1.00 0.00 N ATOM 908 CA SER A 61 4.083 -10.432 2.865 1.00 0.00 C ATOM 909 C SER A 61 3.028 -11.005 1.917 1.00 0.00 C ATOM 910 O SER A 61 2.388 -12.008 2.228 1.00 0.00 O ATOM 911 CB SER A 61 4.906 -11.562 3.487 1.00 0.00 C ATOM 912 OG SER A 61 4.420 -11.930 4.776 1.00 0.00 O ATOM 0 H SER A 61 2.808 -10.135 4.500 1.00 0.00 H new ATOM 0 HA SER A 61 4.761 -9.793 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.884 -12.431 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.947 -11.250 3.568 1.00 0.00 H new ATOM 0 HG SER A 61 4.971 -12.655 5.138 1.00 0.00 H new ATOM 918 N ILE A 62 2.879 -10.342 0.779 1.00 0.00 N ATOM 919 CA ILE A 62 1.911 -10.772 -0.215 1.00 0.00 C ATOM 920 C ILE A 62 2.652 -11.266 -1.460 1.00 0.00 C ATOM 921 O ILE A 62 3.880 -11.233 -1.510 1.00 0.00 O ATOM 922 CB ILE A 62 0.905 -9.656 -0.502 1.00 0.00 C ATOM 923 CG1 ILE A 62 1.135 -8.459 0.423 1.00 0.00 C ATOM 924 CG2 ILE A 62 -0.531 -10.177 -0.417 1.00 0.00 C ATOM 925 CD1 ILE A 62 0.945 -8.854 1.888 1.00 0.00 C ATOM 0 H ILE A 62 3.412 -9.511 0.524 1.00 0.00 H new ATOM 0 HA ILE A 62 1.324 -11.609 0.162 1.00 0.00 H new ATOM 0 HB ILE A 62 1.062 -9.309 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.142 -8.069 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.442 -7.658 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.226 -9.364 -0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.673 -10.972 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.718 -10.567 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.114 -7.985 2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.071 -9.221 2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.656 -9.638 2.149 1.00 0.00 H new ATOM 937 N ALA A 63 1.873 -11.713 -2.435 1.00 0.00 N ATOM 938 CA ALA A 63 2.439 -12.214 -3.676 1.00 0.00 C ATOM 939 C ALA A 63 2.366 -11.119 -4.743 1.00 0.00 C ATOM 940 O ALA A 63 1.336 -10.463 -4.893 1.00 0.00 O ATOM 941 CB ALA A 63 1.705 -13.488 -4.095 1.00 0.00 C ATOM 0 H ALA A 63 0.854 -11.738 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 63 3.489 -12.474 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.130 -13.863 -5.026 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.813 -14.243 -3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.648 -13.267 -4.242 1.00 0.00 H new ATOM 947 N ARG A 64 3.471 -10.957 -5.456 1.00 0.00 N ATOM 948 CA ARG A 64 3.544 -9.954 -6.503 1.00 0.00 C ATOM 949 C ARG A 64 2.346 -10.082 -7.446 1.00 0.00 C ATOM 950 O ARG A 64 1.989 -9.128 -8.136 1.00 0.00 O ATOM 951 CB ARG A 64 4.836 -10.094 -7.310 1.00 0.00 C ATOM 952 CG ARG A 64 6.063 -9.854 -6.428 1.00 0.00 C ATOM 953 CD ARG A 64 6.681 -8.483 -6.710 1.00 0.00 C ATOM 954 NE ARG A 64 7.991 -8.648 -7.380 1.00 0.00 N ATOM 955 CZ ARG A 64 8.741 -7.629 -7.823 1.00 0.00 C ATOM 956 NH1 ARG A 64 8.314 -6.368 -7.671 1.00 0.00 N ATOM 957 NH2 ARG A 64 9.916 -7.871 -8.419 1.00 0.00 N ATOM 0 H ARG A 64 4.323 -11.504 -5.329 1.00 0.00 H new ATOM 0 HA ARG A 64 3.531 -8.975 -6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.889 -11.090 -7.749 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.832 -9.382 -8.135 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.779 -9.920 -5.378 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.803 -10.634 -6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.012 -7.896 -7.339 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.807 -7.932 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 64 8.345 -9.595 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.419 -6.184 -7.218 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.884 -5.592 -8.008 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.240 -8.831 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.486 -7.095 -8.756 1.00 0.00 H new ATOM 971 N LYS A 65 1.756 -11.268 -7.444 1.00 0.00 N ATOM 972 CA LYS A 65 0.605 -11.534 -8.290 1.00 0.00 C ATOM 973 C LYS A 65 -0.609 -10.780 -7.744 1.00 0.00 C ATOM 974 O LYS A 65 -1.452 -10.316 -8.509 1.00 0.00 O ATOM 975 CB LYS A 65 0.380 -13.040 -8.432 1.00 0.00 C ATOM 976 CG LYS A 65 -0.052 -13.658 -7.100 1.00 0.00 C ATOM 977 CD LYS A 65 0.231 -15.161 -7.075 1.00 0.00 C ATOM 978 CE LYS A 65 -0.422 -15.821 -5.859 1.00 0.00 C ATOM 979 NZ LYS A 65 -1.713 -16.441 -6.236 1.00 0.00 N ATOM 0 H LYS A 65 2.054 -12.056 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 65 0.782 -11.165 -9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.382 -13.228 -9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.297 -13.517 -8.778 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.477 -13.171 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.116 -13.482 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.145 -15.621 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.307 -15.332 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.245 -16.578 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.583 -15.078 -5.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.143 -16.884 -5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.353 -15.711 -6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.551 -17.164 -6.966 1.00 0.00 H new ATOM 993 N ASP A 66 -0.658 -10.680 -6.424 1.00 0.00 N ATOM 994 CA ASP A 66 -1.755 -9.989 -5.766 1.00 0.00 C ATOM 995 C ASP A 66 -1.546 -8.478 -5.886 1.00 0.00 C ATOM 996 O ASP A 66 -2.494 -7.705 -5.759 1.00 0.00 O ATOM 997 CB ASP A 66 -1.814 -10.341 -4.278 1.00 0.00 C ATOM 998 CG ASP A 66 -1.298 -11.737 -3.923 1.00 0.00 C ATOM 999 OD1 ASP A 66 -1.606 -12.669 -4.696 1.00 0.00 O ATOM 1000 OD2 ASP A 66 -0.606 -11.840 -2.887 1.00 0.00 O ATOM 0 H ASP A 66 0.044 -11.066 -5.792 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.684 -10.296 -6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.235 -9.604 -3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.847 -10.255 -3.940 1.00 0.00 H new ATOM 1005 N ILE A 67 -0.299 -8.103 -6.129 1.00 0.00 N ATOM 1006 CA ILE A 67 0.047 -6.698 -6.268 1.00 0.00 C ATOM 1007 C ILE A 67 -0.174 -6.265 -7.718 1.00 0.00 C ATOM 1008 O ILE A 67 0.177 -6.990 -8.648 1.00 0.00 O ATOM 1009 CB ILE A 67 1.467 -6.443 -5.759 1.00 0.00 C ATOM 1010 CG1 ILE A 67 1.705 -7.148 -4.422 1.00 0.00 C ATOM 1011 CG2 ILE A 67 1.758 -4.943 -5.676 1.00 0.00 C ATOM 1012 CD1 ILE A 67 3.140 -6.934 -3.938 1.00 0.00 C ATOM 0 H ILE A 67 0.485 -8.747 -6.233 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.604 -6.082 -5.648 1.00 0.00 H new ATOM 0 HB ILE A 67 2.169 -6.868 -6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.006 -6.768 -3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.509 -8.215 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.774 -4.789 -5.311 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.656 -4.497 -6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.052 -4.473 -4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.283 -7.445 -2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.836 -7.336 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.325 -5.868 -3.809 1.00 0.00 H new ATOM 1024 N LYS A 68 -0.754 -5.082 -7.867 1.00 0.00 N ATOM 1025 CA LYS A 68 -1.026 -4.544 -9.189 1.00 0.00 C ATOM 1026 C LYS A 68 -1.052 -3.015 -9.116 1.00 0.00 C ATOM 1027 O LYS A 68 -1.640 -2.444 -8.198 1.00 0.00 O ATOM 1028 CB LYS A 68 -2.306 -5.154 -9.764 1.00 0.00 C ATOM 1029 CG LYS A 68 -3.501 -4.885 -8.848 1.00 0.00 C ATOM 1030 CD LYS A 68 -4.333 -3.710 -9.363 1.00 0.00 C ATOM 1031 CE LYS A 68 -5.069 -4.083 -10.651 1.00 0.00 C ATOM 1032 NZ LYS A 68 -5.920 -2.961 -11.106 1.00 0.00 N ATOM 0 H LYS A 68 -1.043 -4.482 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.231 -4.818 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.500 -4.737 -10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.176 -6.229 -9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.124 -5.777 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.149 -4.671 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.053 -3.409 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.685 -2.853 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.348 -4.338 -11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.683 -4.968 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.412 -3.231 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.620 -2.736 -10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.327 -2.126 -11.286 1.00 0.00 H new ATOM 1046 N GLU A 69 -0.408 -2.397 -10.095 1.00 0.00 N ATOM 1047 CA GLU A 69 -0.350 -0.946 -10.152 1.00 0.00 C ATOM 1048 C GLU A 69 -1.672 -0.343 -9.675 1.00 0.00 C ATOM 1049 O GLU A 69 -2.738 -0.908 -9.912 1.00 0.00 O ATOM 1050 CB GLU A 69 -0.007 -0.467 -11.564 1.00 0.00 C ATOM 1051 CG GLU A 69 1.508 -0.410 -11.771 1.00 0.00 C ATOM 1052 CD GLU A 69 1.852 -0.198 -13.247 1.00 0.00 C ATOM 1053 OE1 GLU A 69 1.340 -0.989 -14.068 1.00 0.00 O ATOM 1054 OE2 GLU A 69 2.620 0.749 -13.520 1.00 0.00 O ATOM 0 H GLU A 69 0.078 -2.874 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 69 0.443 -0.607 -9.485 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.453 -1.138 -12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.438 0.520 -11.732 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.930 0.400 -11.176 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.962 -1.336 -11.417 1.00 0.00 H new ATOM 1061 N VAL A 70 -1.559 0.798 -9.010 1.00 0.00 N ATOM 1062 CA VAL A 70 -2.733 1.484 -8.497 1.00 0.00 C ATOM 1063 C VAL A 70 -2.525 2.996 -8.611 1.00 0.00 C ATOM 1064 O VAL A 70 -1.412 3.489 -8.434 1.00 0.00 O ATOM 1065 CB VAL A 70 -3.023 1.027 -7.066 1.00 0.00 C ATOM 1066 CG1 VAL A 70 -2.008 1.619 -6.086 1.00 0.00 C ATOM 1067 CG2 VAL A 70 -4.453 1.383 -6.655 1.00 0.00 C ATOM 0 H VAL A 70 -0.673 1.264 -8.815 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.612 1.231 -9.089 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.926 -0.058 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.236 1.279 -5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.005 1.293 -6.360 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.059 2.707 -6.123 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.632 1.047 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.589 2.463 -6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.157 0.893 -7.327 1.00 0.00 H new ATOM 1077 N ASP A 71 -3.615 3.690 -8.907 1.00 0.00 N ATOM 1078 CA ASP A 71 -3.565 5.135 -9.047 1.00 0.00 C ATOM 1079 C ASP A 71 -4.140 5.785 -7.787 1.00 0.00 C ATOM 1080 O ASP A 71 -5.341 6.036 -7.706 1.00 0.00 O ATOM 1081 CB ASP A 71 -4.400 5.601 -10.242 1.00 0.00 C ATOM 1082 CG ASP A 71 -4.327 4.698 -11.474 1.00 0.00 C ATOM 1083 OD1 ASP A 71 -3.197 4.281 -11.806 1.00 0.00 O ATOM 1084 OD2 ASP A 71 -5.404 4.443 -12.055 1.00 0.00 O ATOM 0 H ASP A 71 -4.537 3.278 -9.053 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.525 5.424 -9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.441 5.680 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.075 6.602 -10.525 1.00 0.00 H new ATOM 1089 N ILE A 72 -3.254 6.040 -6.835 1.00 0.00 N ATOM 1090 CA ILE A 72 -3.658 6.656 -5.582 1.00 0.00 C ATOM 1091 C ILE A 72 -3.769 8.170 -5.775 1.00 0.00 C ATOM 1092 O ILE A 72 -4.717 8.793 -5.301 1.00 0.00 O ATOM 1093 CB ILE A 72 -2.709 6.248 -4.455 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -2.612 4.725 -4.342 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -3.121 6.895 -3.130 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -3.965 4.067 -4.622 1.00 0.00 C ATOM 0 H ILE A 72 -2.258 5.831 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.644 6.300 -5.283 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.713 6.617 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.869 4.351 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.270 4.452 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.430 6.588 -2.345 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.097 7.980 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.131 6.578 -2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.868 2.985 -4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.700 4.425 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.292 4.322 -5.630 1.00 0.00 H new ATOM 1108 N LEU A 73 -2.785 8.719 -6.473 1.00 0.00 N ATOM 1109 CA LEU A 73 -2.760 10.147 -6.736 1.00 0.00 C ATOM 1110 C LEU A 73 -3.880 10.502 -7.715 1.00 0.00 C ATOM 1111 O LEU A 73 -4.125 11.676 -7.987 1.00 0.00 O ATOM 1112 CB LEU A 73 -1.370 10.582 -7.207 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.592 11.491 -6.254 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.617 12.113 -6.955 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -1.507 12.551 -5.639 1.00 0.00 C ATOM 0 H LEU A 73 -1.999 8.200 -6.864 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.950 10.705 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.775 9.688 -7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.476 11.097 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.210 10.881 -5.435 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.153 12.755 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.281 11.323 -7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.279 12.706 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.929 13.184 -4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.939 13.163 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.306 12.063 -5.081 1.00 0.00 H new ATOM 1127 N ASN A 74 -4.533 9.464 -8.219 1.00 0.00 N ATOM 1128 CA ASN A 74 -5.621 9.651 -9.163 1.00 0.00 C ATOM 1129 C ASN A 74 -6.955 9.439 -8.444 1.00 0.00 C ATOM 1130 O ASN A 74 -8.012 9.450 -9.074 1.00 0.00 O ATOM 1131 CB ASN A 74 -5.536 8.642 -10.310 1.00 0.00 C ATOM 1132 CG ASN A 74 -6.628 8.899 -11.349 1.00 0.00 C ATOM 1133 OD1 ASN A 74 -6.679 9.935 -11.991 1.00 0.00 O ATOM 1134 ND2 ASN A 74 -7.498 7.900 -11.479 1.00 0.00 N ATOM 0 H ASN A 74 -4.329 8.491 -7.991 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.548 10.661 -9.566 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.556 8.706 -10.784 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.634 7.630 -9.917 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.265 7.975 -12.147 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.398 7.059 -10.910 1.00 0.00 H new ATOM 1141 N LEU A 75 -6.863 9.251 -7.136 1.00 0.00 N ATOM 1142 CA LEU A 75 -8.049 9.037 -6.325 1.00 0.00 C ATOM 1143 C LEU A 75 -8.680 10.388 -5.984 1.00 0.00 C ATOM 1144 O LEU A 75 -7.991 11.407 -5.943 1.00 0.00 O ATOM 1145 CB LEU A 75 -7.713 8.188 -5.097 1.00 0.00 C ATOM 1146 CG LEU A 75 -7.521 6.691 -5.349 1.00 0.00 C ATOM 1147 CD1 LEU A 75 -7.065 5.975 -4.076 1.00 0.00 C ATOM 1148 CD2 LEU A 75 -8.791 6.066 -5.934 1.00 0.00 C ATOM 0 H LEU A 75 -5.985 9.242 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.793 8.469 -6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.801 8.580 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.510 8.314 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.730 6.568 -6.089 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.936 4.913 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.118 6.397 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.816 6.105 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.628 5.002 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.617 6.200 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.033 6.551 -6.880 1.00 0.00 H new ATOM 1160 N PRO A 76 -10.017 10.354 -5.742 1.00 0.00 N ATOM 1161 CA PRO A 76 -10.749 11.564 -5.406 1.00 0.00 C ATOM 1162 C PRO A 76 -10.463 11.994 -3.965 1.00 0.00 C ATOM 1163 O PRO A 76 -10.300 11.153 -3.083 1.00 0.00 O ATOM 1164 CB PRO A 76 -12.210 11.219 -5.643 1.00 0.00 C ATOM 1165 CG PRO A 76 -12.283 9.701 -5.656 1.00 0.00 C ATOM 1166 CD PRO A 76 -10.866 9.167 -5.781 1.00 0.00 C ATOM 0 HA PRO A 76 -10.452 12.418 -6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.842 11.634 -4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.561 11.635 -6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.750 9.334 -4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.896 9.355 -6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.628 8.483 -4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.732 8.615 -6.711 1.00 0.00 H new ATOM 1174 N GLU A 77 -10.412 13.304 -3.772 1.00 0.00 N ATOM 1175 CA GLU A 77 -10.150 13.857 -2.454 1.00 0.00 C ATOM 1176 C GLU A 77 -11.011 13.154 -1.403 1.00 0.00 C ATOM 1177 O GLU A 77 -10.634 13.080 -0.235 1.00 0.00 O ATOM 1178 CB GLU A 77 -10.386 15.368 -2.436 1.00 0.00 C ATOM 1179 CG GLU A 77 -9.103 16.129 -2.774 1.00 0.00 C ATOM 1180 CD GLU A 77 -9.406 17.364 -3.625 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -9.430 17.207 -4.865 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -9.604 18.437 -3.017 1.00 0.00 O ATOM 0 H GLU A 77 -10.548 13.999 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.102 13.684 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.165 15.626 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.744 15.672 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.602 16.431 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.417 15.473 -3.310 1.00 0.00 H new ATOM 1189 N SER A 78 -12.152 12.655 -1.856 1.00 0.00 N ATOM 1190 CA SER A 78 -13.070 11.961 -0.969 1.00 0.00 C ATOM 1191 C SER A 78 -12.392 10.722 -0.379 1.00 0.00 C ATOM 1192 O SER A 78 -12.156 10.654 0.826 1.00 0.00 O ATOM 1193 CB SER A 78 -14.353 11.565 -1.703 1.00 0.00 C ATOM 1194 OG SER A 78 -15.478 12.311 -1.250 1.00 0.00 O ATOM 0 H SER A 78 -12.462 12.718 -2.826 1.00 0.00 H new ATOM 0 HA SER A 78 -13.341 12.639 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.221 11.722 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.541 10.501 -1.557 1.00 0.00 H new ATOM 0 HG SER A 78 -16.277 12.030 -1.744 1.00 0.00 H new ATOM 1200 N GLU A 79 -12.098 9.774 -1.257 1.00 0.00 N ATOM 1201 CA GLU A 79 -11.452 8.542 -0.839 1.00 0.00 C ATOM 1202 C GLU A 79 -10.236 8.851 0.037 1.00 0.00 C ATOM 1203 O GLU A 79 -10.010 8.187 1.048 1.00 0.00 O ATOM 1204 CB GLU A 79 -11.054 7.692 -2.048 1.00 0.00 C ATOM 1205 CG GLU A 79 -12.289 7.096 -2.728 1.00 0.00 C ATOM 1206 CD GLU A 79 -11.947 5.777 -3.423 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -11.085 5.054 -2.878 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -12.557 5.519 -4.484 1.00 0.00 O ATOM 0 H GLU A 79 -12.295 9.835 -2.256 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.164 7.965 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.501 8.303 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.387 6.891 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.072 6.929 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.685 7.804 -3.457 1.00 0.00 H new ATOM 1215 N LEU A 80 -9.485 9.858 -0.383 1.00 0.00 N ATOM 1216 CA LEU A 80 -8.298 10.263 0.352 1.00 0.00 C ATOM 1217 C LEU A 80 -8.712 10.817 1.716 1.00 0.00 C ATOM 1218 O LEU A 80 -8.342 10.265 2.751 1.00 0.00 O ATOM 1219 CB LEU A 80 -7.461 11.237 -0.480 1.00 0.00 C ATOM 1220 CG LEU A 80 -7.150 10.800 -1.913 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -6.259 11.825 -2.618 1.00 0.00 C ATOM 1222 CD2 LEU A 80 -6.539 9.397 -1.939 1.00 0.00 C ATOM 0 H LEU A 80 -9.675 10.406 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.654 9.404 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.983 12.193 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.518 11.409 0.039 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.088 10.753 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.053 11.490 -3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.767 12.789 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.321 11.928 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.328 9.111 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.613 9.393 -1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.241 8.686 -1.502 1.00 0.00 H new ATOM 1234 N SER A 81 -9.471 11.901 1.672 1.00 0.00 N ATOM 1235 CA SER A 81 -9.940 12.536 2.893 1.00 0.00 C ATOM 1236 C SER A 81 -10.461 11.478 3.867 1.00 0.00 C ATOM 1237 O SER A 81 -10.441 11.682 5.080 1.00 0.00 O ATOM 1238 CB SER A 81 -11.030 13.567 2.594 1.00 0.00 C ATOM 1239 OG SER A 81 -10.485 14.819 2.191 1.00 0.00 O ATOM 0 H SER A 81 -9.773 12.356 0.811 1.00 0.00 H new ATOM 0 HA SER A 81 -9.100 13.059 3.351 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.683 13.186 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.647 13.709 3.481 1.00 0.00 H new ATOM 0 HG SER A 81 -10.280 14.793 1.233 1.00 0.00 H new ATOM 1245 N THR A 82 -10.915 10.371 3.300 1.00 0.00 N ATOM 1246 CA THR A 82 -11.441 9.280 4.103 1.00 0.00 C ATOM 1247 C THR A 82 -10.390 8.179 4.261 1.00 0.00 C ATOM 1248 O THR A 82 -9.607 8.195 5.211 1.00 0.00 O ATOM 1249 CB THR A 82 -12.736 8.794 3.450 1.00 0.00 C ATOM 1250 OG1 THR A 82 -12.334 8.375 2.149 1.00 0.00 O ATOM 1251 CG2 THR A 82 -13.723 9.932 3.186 1.00 0.00 C ATOM 0 H THR A 82 -10.930 10.205 2.294 1.00 0.00 H new ATOM 0 HA THR A 82 -11.674 9.611 5.115 1.00 0.00 H new ATOM 0 HB THR A 82 -13.206 8.048 4.091 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.585 9.059 1.493 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.624 9.532 2.722 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.983 10.414 4.128 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.266 10.663 2.519 1.00 0.00 H new ATOM 1259 N LYS A 83 -10.406 7.249 3.317 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.463 6.144 3.340 1.00 0.00 C ATOM 1261 C LYS A 83 -8.069 6.674 3.680 1.00 0.00 C ATOM 1262 O LYS A 83 -7.527 7.511 2.960 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.521 5.364 2.025 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.380 4.106 2.171 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.861 4.467 2.307 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.528 3.635 3.404 1.00 0.00 C ATOM 1267 NZ LYS A 83 -13.514 4.453 4.147 1.00 0.00 N ATOM 0 H LYS A 83 -11.057 7.238 2.532 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.731 5.431 4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.930 5.999 1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.513 5.087 1.718 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.237 3.461 1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.058 3.541 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.961 5.528 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.369 4.298 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.023 2.770 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.772 3.254 4.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.958 3.874 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.033 5.265 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.245 4.796 3.491 1.00 0.00 H new ATOM 1281 N PRO A 84 -7.514 6.152 4.807 1.00 0.00 N ATOM 1282 CA PRO A 84 -6.193 6.564 5.250 1.00 0.00 C ATOM 1283 C PRO A 84 -5.102 5.936 4.381 1.00 0.00 C ATOM 1284 O PRO A 84 -4.257 6.643 3.834 1.00 0.00 O ATOM 1285 CB PRO A 84 -6.115 6.131 6.705 1.00 0.00 C ATOM 1286 CG PRO A 84 -7.204 5.087 6.889 1.00 0.00 C ATOM 1287 CD PRO A 84 -8.128 5.159 5.684 1.00 0.00 C ATOM 0 HA PRO A 84 -6.034 7.638 5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.134 5.717 6.937 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.269 6.978 7.373 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.768 4.092 6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.760 5.273 7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.211 4.191 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.136 5.456 5.975 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.156 4.617 4.280 1.00 0.00 N ATOM 1296 CA GLY A 85 -4.183 3.886 3.485 1.00 0.00 C ATOM 1297 C GLY A 85 -3.936 4.581 2.145 1.00 0.00 C ATOM 1298 O GLY A 85 -2.795 4.693 1.701 1.00 0.00 O ATOM 0 H GLY A 85 -5.859 4.034 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.245 3.806 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.539 2.870 3.312 1.00 0.00 H new ATOM 1302 N LEU A 86 -5.026 5.031 1.539 1.00 0.00 N ATOM 1303 CA LEU A 86 -4.941 5.712 0.259 1.00 0.00 C ATOM 1304 C LEU A 86 -4.203 7.040 0.439 1.00 0.00 C ATOM 1305 O LEU A 86 -3.094 7.212 -0.066 1.00 0.00 O ATOM 1306 CB LEU A 86 -6.333 5.862 -0.360 1.00 0.00 C ATOM 1307 CG LEU A 86 -7.138 4.571 -0.520 1.00 0.00 C ATOM 1308 CD1 LEU A 86 -8.532 4.861 -1.082 1.00 0.00 C ATOM 1309 CD2 LEU A 86 -6.377 3.552 -1.371 1.00 0.00 C ATOM 0 H LEU A 86 -5.971 4.937 1.911 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.362 5.119 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.910 6.553 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.225 6.323 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.274 4.128 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.084 3.927 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.067 5.525 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.439 5.338 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.971 2.644 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.189 3.971 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.427 3.314 -0.891 1.00 0.00 H new ATOM 1321 N GLN A 87 -4.847 7.945 1.161 1.00 0.00 N ATOM 1322 CA GLN A 87 -4.264 9.252 1.415 1.00 0.00 C ATOM 1323 C GLN A 87 -2.786 9.112 1.784 1.00 0.00 C ATOM 1324 O GLN A 87 -1.912 9.550 1.038 1.00 0.00 O ATOM 1325 CB GLN A 87 -5.035 9.993 2.509 1.00 0.00 C ATOM 1326 CG GLN A 87 -4.570 11.446 2.620 1.00 0.00 C ATOM 1327 CD GLN A 87 -5.754 12.410 2.520 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -6.598 12.490 3.397 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -5.768 13.136 1.406 1.00 0.00 N ATOM 0 H GLN A 87 -5.766 7.799 1.578 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.335 9.843 0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.102 9.965 2.289 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.893 9.488 3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.054 11.595 3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.852 11.663 1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.030 13.019 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.517 13.810 1.246 1.00 0.00 H new ATOM 1338 N LYS A 88 -2.552 8.500 2.936 1.00 0.00 N ATOM 1339 CA LYS A 88 -1.195 8.296 3.413 1.00 0.00 C ATOM 1340 C LYS A 88 -0.298 7.907 2.236 1.00 0.00 C ATOM 1341 O LYS A 88 0.852 8.337 2.159 1.00 0.00 O ATOM 1342 CB LYS A 88 -1.177 7.285 4.561 1.00 0.00 C ATOM 1343 CG LYS A 88 -1.450 7.971 5.900 1.00 0.00 C ATOM 1344 CD LYS A 88 -0.174 8.063 6.740 1.00 0.00 C ATOM 1345 CE LYS A 88 0.526 9.406 6.528 1.00 0.00 C ATOM 1346 NZ LYS A 88 0.828 10.045 7.828 1.00 0.00 N ATOM 0 H LYS A 88 -3.280 8.139 3.553 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.794 9.221 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.927 6.515 4.383 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.209 6.785 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.848 8.971 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.211 7.416 6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.419 7.939 7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.501 7.251 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.448 9.257 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.108 10.063 5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.303 10.956 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.057 10.205 8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.451 9.424 8.384 1.00 0.00 H new ATOM 1360 N ALA A 89 -0.857 7.099 1.348 1.00 0.00 N ATOM 1361 CA ALA A 89 -0.123 6.647 0.179 1.00 0.00 C ATOM 1362 C ALA A 89 -0.032 7.790 -0.834 1.00 0.00 C ATOM 1363 O ALA A 89 1.043 8.074 -1.359 1.00 0.00 O ATOM 1364 CB ALA A 89 -0.802 5.406 -0.403 1.00 0.00 C ATOM 0 H ALA A 89 -1.811 6.745 1.415 1.00 0.00 H new ATOM 0 HA ALA A 89 0.894 6.365 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.251 5.067 -1.280 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.815 4.614 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.825 5.651 -0.690 1.00 0.00 H new ATOM 1370 N SER A 90 -1.173 8.416 -1.076 1.00 0.00 N ATOM 1371 CA SER A 90 -1.237 9.522 -2.016 1.00 0.00 C ATOM 1372 C SER A 90 -0.262 10.624 -1.594 1.00 0.00 C ATOM 1373 O SER A 90 0.509 11.122 -2.413 1.00 0.00 O ATOM 1374 CB SER A 90 -2.657 10.081 -2.117 1.00 0.00 C ATOM 1375 OG SER A 90 -3.612 9.224 -1.495 1.00 0.00 O ATOM 0 H SER A 90 -2.062 8.178 -0.637 1.00 0.00 H new ATOM 0 HA SER A 90 -0.953 9.150 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.694 11.065 -1.650 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.920 10.216 -3.166 1.00 0.00 H new ATOM 0 HG SER A 90 -4.196 8.834 -2.179 1.00 0.00 H new ATOM 1381 N ILE A 91 -0.328 10.971 -0.317 1.00 0.00 N ATOM 1382 CA ILE A 91 0.538 12.004 0.224 1.00 0.00 C ATOM 1383 C ILE A 91 1.978 11.743 -0.224 1.00 0.00 C ATOM 1384 O ILE A 91 2.642 12.637 -0.744 1.00 0.00 O ATOM 1385 CB ILE A 91 0.375 12.100 1.742 1.00 0.00 C ATOM 1386 CG1 ILE A 91 -0.947 12.778 2.109 1.00 0.00 C ATOM 1387 CG2 ILE A 91 1.575 12.803 2.380 1.00 0.00 C ATOM 1388 CD1 ILE A 91 -1.019 13.060 3.612 1.00 0.00 C ATOM 0 H ILE A 91 -0.968 10.555 0.359 1.00 0.00 H new ATOM 0 HA ILE A 91 0.254 12.981 -0.166 1.00 0.00 H new ATOM 0 HB ILE A 91 0.343 11.088 2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.048 13.711 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.781 12.141 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.433 12.858 3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.484 12.242 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.664 13.811 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.968 13.542 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.942 12.122 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.198 13.717 3.899 1.00 0.00 H new ATOM 1400 N PHE A 92 2.417 10.511 -0.006 1.00 0.00 N ATOM 1401 CA PHE A 92 3.765 10.121 -0.381 1.00 0.00 C ATOM 1402 C PHE A 92 3.944 10.154 -1.900 1.00 0.00 C ATOM 1403 O PHE A 92 5.067 10.101 -2.399 1.00 0.00 O ATOM 1404 CB PHE A 92 3.969 8.687 0.113 1.00 0.00 C ATOM 1405 CG PHE A 92 5.062 7.921 -0.634 1.00 0.00 C ATOM 1406 CD1 PHE A 92 6.313 8.447 -0.735 1.00 0.00 C ATOM 1407 CD2 PHE A 92 4.785 6.715 -1.197 1.00 0.00 C ATOM 1408 CE1 PHE A 92 7.328 7.736 -1.429 1.00 0.00 C ATOM 1409 CE2 PHE A 92 5.799 6.003 -1.891 1.00 0.00 C ATOM 1410 CZ PHE A 92 7.050 6.530 -1.992 1.00 0.00 C ATOM 0 H PHE A 92 1.863 9.771 0.425 1.00 0.00 H new ATOM 0 HA PHE A 92 4.487 10.810 0.058 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.217 8.711 1.174 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.029 8.144 0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.534 9.405 -0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.792 6.298 -1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.321 8.153 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.578 5.045 -2.338 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.822 5.990 -2.520 1.00 0.00 H new ATOM 1420 N LEU A 93 2.818 10.243 -2.594 1.00 0.00 N ATOM 1421 CA LEU A 93 2.836 10.285 -4.046 1.00 0.00 C ATOM 1422 C LEU A 93 2.878 11.742 -4.510 1.00 0.00 C ATOM 1423 O LEU A 93 3.086 12.015 -5.692 1.00 0.00 O ATOM 1424 CB LEU A 93 1.660 9.490 -4.620 1.00 0.00 C ATOM 1425 CG LEU A 93 1.767 7.967 -4.521 1.00 0.00 C ATOM 1426 CD1 LEU A 93 0.926 7.288 -5.602 1.00 0.00 C ATOM 1427 CD2 LEU A 93 3.229 7.517 -4.564 1.00 0.00 C ATOM 0 H LEU A 93 1.888 10.287 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 93 3.735 9.802 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.751 9.804 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.544 9.759 -5.670 1.00 0.00 H new ATOM 0 HG LEU A 93 1.363 7.657 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.019 6.206 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.119 7.573 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.277 7.600 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.278 6.430 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.681 7.839 -5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.771 7.961 -3.729 1.00 0.00 H new ATOM 1439 N LYS A 94 2.678 12.639 -3.556 1.00 0.00 N ATOM 1440 CA LYS A 94 2.691 14.061 -3.852 1.00 0.00 C ATOM 1441 C LYS A 94 3.875 14.716 -3.138 1.00 0.00 C ATOM 1442 O LYS A 94 4.585 15.531 -3.725 1.00 0.00 O ATOM 1443 CB LYS A 94 1.340 14.692 -3.509 1.00 0.00 C ATOM 1444 CG LYS A 94 0.424 13.683 -2.815 1.00 0.00 C ATOM 1445 CD LYS A 94 -0.816 14.371 -2.241 1.00 0.00 C ATOM 1446 CE LYS A 94 -1.523 15.207 -3.311 1.00 0.00 C ATOM 1447 NZ LYS A 94 -2.631 15.983 -2.713 1.00 0.00 N ATOM 0 H LYS A 94 2.506 12.408 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 94 2.832 14.226 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.492 15.556 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.863 15.056 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.121 12.913 -3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.969 13.182 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.503 13.622 -1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.528 15.010 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.810 15.884 -3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.909 14.555 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.100 16.545 -3.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.319 15.332 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.254 16.619 -1.982 1.00 0.00 H new ATOM 1461 N THR A 95 4.051 14.335 -1.881 1.00 0.00 N ATOM 1462 CA THR A 95 5.136 14.874 -1.081 1.00 0.00 C ATOM 1463 C THR A 95 6.417 14.068 -1.305 1.00 0.00 C ATOM 1464 O THR A 95 7.491 14.463 -0.855 1.00 0.00 O ATOM 1465 CB THR A 95 4.681 14.896 0.380 1.00 0.00 C ATOM 1466 OG1 THR A 95 4.657 13.522 0.757 1.00 0.00 O ATOM 1467 CG2 THR A 95 3.228 15.350 0.534 1.00 0.00 C ATOM 0 H THR A 95 3.460 13.659 -1.397 1.00 0.00 H new ATOM 0 HA THR A 95 5.376 15.895 -1.378 1.00 0.00 H new ATOM 0 HB THR A 95 5.331 15.558 0.952 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.056 13.029 0.160 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.956 15.348 1.590 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.117 16.357 0.133 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.574 14.669 -0.011 1.00 0.00 H new ATOM 1475 N ARG A 96 6.262 12.953 -2.004 1.00 0.00 N ATOM 1476 CA ARG A 96 7.392 12.088 -2.295 1.00 0.00 C ATOM 1477 C ARG A 96 8.340 12.033 -1.096 1.00 0.00 C ATOM 1478 O ARG A 96 9.556 11.942 -1.265 1.00 0.00 O ATOM 1479 CB ARG A 96 8.161 12.580 -3.523 1.00 0.00 C ATOM 1480 CG ARG A 96 7.221 12.785 -4.712 1.00 0.00 C ATOM 1481 CD ARG A 96 6.504 11.482 -5.074 1.00 0.00 C ATOM 1482 NE ARG A 96 5.990 11.557 -6.461 1.00 0.00 N ATOM 1483 CZ ARG A 96 6.770 11.632 -7.548 1.00 0.00 C ATOM 1484 NH1 ARG A 96 8.104 11.642 -7.417 1.00 0.00 N ATOM 1485 NH2 ARG A 96 6.217 11.696 -8.767 1.00 0.00 N ATOM 0 H ARG A 96 5.370 12.629 -2.377 1.00 0.00 H new ATOM 0 HA ARG A 96 7.002 11.091 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.667 13.517 -3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.934 11.858 -3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.487 13.554 -4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.788 13.143 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.190 10.640 -4.976 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.681 11.305 -4.381 1.00 0.00 H new ATOM 0 HE ARG A 96 4.979 11.551 -6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.526 11.592 -6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.697 11.699 -8.245 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.202 11.688 -8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.811 11.753 -9.594 1.00 0.00 H new ATOM 1499 N VAL A 97 7.749 12.092 0.089 1.00 0.00 N ATOM 1500 CA VAL A 97 8.527 12.050 1.316 1.00 0.00 C ATOM 1501 C VAL A 97 7.809 11.169 2.340 1.00 0.00 C ATOM 1502 O VAL A 97 6.879 11.619 3.007 1.00 0.00 O ATOM 1503 CB VAL A 97 8.782 13.471 1.823 1.00 0.00 C ATOM 1504 CG1 VAL A 97 7.474 14.145 2.247 1.00 0.00 C ATOM 1505 CG2 VAL A 97 9.795 13.471 2.969 1.00 0.00 C ATOM 0 H VAL A 97 6.741 12.169 0.225 1.00 0.00 H new ATOM 0 HA VAL A 97 9.505 11.605 1.133 1.00 0.00 H new ATOM 0 HB VAL A 97 9.206 14.049 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.683 15.154 2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.797 14.195 1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.009 13.567 3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.958 14.493 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.412 12.870 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.738 13.050 2.621 1.00 0.00 H new ATOM 1515 N VAL A 98 8.269 9.930 2.433 1.00 0.00 N ATOM 1516 CA VAL A 98 7.681 8.983 3.365 1.00 0.00 C ATOM 1517 C VAL A 98 7.864 9.499 4.793 1.00 0.00 C ATOM 1518 O VAL A 98 8.682 10.383 5.038 1.00 0.00 O ATOM 1519 CB VAL A 98 8.286 7.594 3.149 1.00 0.00 C ATOM 1520 CG1 VAL A 98 7.523 6.824 2.070 1.00 0.00 C ATOM 1521 CG2 VAL A 98 9.773 7.690 2.804 1.00 0.00 C ATOM 0 H VAL A 98 9.041 9.560 1.879 1.00 0.00 H new ATOM 0 HA VAL A 98 6.610 8.888 3.189 1.00 0.00 H new ATOM 0 HB VAL A 98 8.194 7.041 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.974 5.841 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.482 6.708 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.568 7.374 1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 98 10.177 6.689 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.898 8.271 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.305 8.179 3.620 1.00 0.00 H new ATOM 1531 N PRO A 99 7.065 8.909 5.724 1.00 0.00 N ATOM 1532 CA PRO A 99 7.130 9.300 7.121 1.00 0.00 C ATOM 1533 C PRO A 99 8.385 8.737 7.791 1.00 0.00 C ATOM 1534 O PRO A 99 8.938 7.735 7.338 1.00 0.00 O ATOM 1535 CB PRO A 99 5.843 8.776 7.737 1.00 0.00 C ATOM 1536 CG PRO A 99 5.325 7.716 6.779 1.00 0.00 C ATOM 1537 CD PRO A 99 6.083 7.859 5.470 1.00 0.00 C ATOM 0 HA PRO A 99 7.208 10.379 7.252 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.026 8.354 8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.115 9.578 7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 99 5.470 6.720 7.197 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.254 7.840 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.567 6.924 5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.415 8.131 4.653 1.00 0.00 H new ATOM 1545 N ASP A 100 8.799 9.404 8.858 1.00 0.00 N ATOM 1546 CA ASP A 100 9.978 8.983 9.594 1.00 0.00 C ATOM 1547 C ASP A 100 9.790 7.539 10.066 1.00 0.00 C ATOM 1548 O ASP A 100 10.758 6.865 10.416 1.00 0.00 O ATOM 1549 CB ASP A 100 10.200 9.859 10.828 1.00 0.00 C ATOM 1550 CG ASP A 100 11.332 10.881 10.701 1.00 0.00 C ATOM 1551 OD1 ASP A 100 12.497 10.460 10.868 1.00 0.00 O ATOM 1552 OD2 ASP A 100 11.006 12.059 10.439 1.00 0.00 O ATOM 0 H ASP A 100 8.338 10.234 9.231 1.00 0.00 H new ATOM 0 HA ASP A 100 10.839 9.071 8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.274 10.390 11.049 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.408 9.213 11.681 1.00 0.00 H new ATOM 1557 N ASN A 101 8.538 7.108 10.062 1.00 0.00 N ATOM 1558 CA ASN A 101 8.210 5.756 10.486 1.00 0.00 C ATOM 1559 C ASN A 101 8.652 4.767 9.406 1.00 0.00 C ATOM 1560 O ASN A 101 8.727 3.565 9.655 1.00 0.00 O ATOM 1561 CB ASN A 101 6.703 5.593 10.690 1.00 0.00 C ATOM 1562 CG ASN A 101 6.374 4.217 11.270 1.00 0.00 C ATOM 1563 OD1 ASN A 101 5.955 3.305 10.575 1.00 0.00 O ATOM 1564 ND2 ASN A 101 6.586 4.117 12.579 1.00 0.00 N ATOM 0 H ASN A 101 7.738 7.670 9.772 1.00 0.00 H new ATOM 0 HA ASN A 101 8.723 5.564 11.428 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.337 6.371 11.360 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.187 5.723 9.739 1.00 0.00 H new ATOM 0 HD21 ASN A 101 6.397 3.238 13.061 1.00 0.00 H new ATOM 0 HD22 ASN A 101 6.938 4.919 13.101 1.00 0.00 H new ATOM 1571 N TRP A 102 8.933 5.310 8.231 1.00 0.00 N ATOM 1572 CA TRP A 102 9.366 4.489 7.112 1.00 0.00 C ATOM 1573 C TRP A 102 10.869 4.701 6.924 1.00 0.00 C ATOM 1574 O TRP A 102 11.652 3.759 7.039 1.00 0.00 O ATOM 1575 CB TRP A 102 8.554 4.806 5.854 1.00 0.00 C ATOM 1576 CG TRP A 102 7.068 4.461 5.968 1.00 0.00 C ATOM 1577 CD1 TRP A 102 6.299 4.480 7.065 1.00 0.00 C ATOM 1578 CD2 TRP A 102 6.198 4.042 4.895 1.00 0.00 C ATOM 1579 NE1 TRP A 102 5.002 4.105 6.779 1.00 0.00 N ATOM 1580 CE2 TRP A 102 4.939 3.830 5.418 1.00 0.00 C ATOM 1581 CE3 TRP A 102 6.467 3.847 3.529 1.00 0.00 C ATOM 1582 CZ2 TRP A 102 3.848 3.414 4.645 1.00 0.00 C ATOM 1583 CZ3 TRP A 102 5.366 3.431 2.771 1.00 0.00 C ATOM 1584 CH2 TRP A 102 4.091 3.214 3.281 1.00 0.00 C ATOM 0 H TRP A 102 8.870 6.308 8.029 1.00 0.00 H new ATOM 0 HA TRP A 102 9.187 3.433 7.315 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.653 5.868 5.628 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.980 4.260 5.012 1.00 0.00 H new ATOM 0 HD1 TRP A 102 6.650 4.754 8.049 1.00 0.00 H new ATOM 0 HE1 TRP A 102 4.231 4.041 7.444 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.445 4.005 3.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.871 3.256 5.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.518 3.267 1.714 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.293 2.893 2.629 1.00 0.00 H new