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 38 CYS SG : rot 45:sc= -0.398 USER MOD Set 1.2: A 39 ASN : amide:sc= 0.00413 K(o=-0.39,f=-1.9) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -62:sc= 0.281 USER MOD Single : A 21 SER OG : rot 83:sc= 0.845 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 130:sc= -0.948 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 43 THR OG1 : rot 180:sc= 0 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= -0.0535 K(o=-0.053,f=-0.73) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 85:sc= 0.529 USER MOD Single : A 57 SER OG : rot 97:sc= 0.966 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 X(o=0,f=0) 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 82 THR OG1 : rot -10:sc= -0.799 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc=-0.00694 X(o=-0.0069,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -64:sc= -3.9 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -73:sc= 1.04 USER MOD Single : A 101 ASN : amide:sc= -0.226 K(o=-0.23,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 111 N GLU A 11 10.867 0.941 -10.644 1.00 0.00 N ATOM 112 CA GLU A 11 9.711 1.774 -10.921 1.00 0.00 C ATOM 113 C GLU A 11 8.546 1.387 -10.009 1.00 0.00 C ATOM 114 O GLU A 11 7.945 2.244 -9.365 1.00 0.00 O ATOM 115 CB GLU A 11 9.308 1.681 -12.395 1.00 0.00 C ATOM 116 CG GLU A 11 8.752 0.295 -12.724 1.00 0.00 C ATOM 117 CD GLU A 11 8.585 0.115 -14.235 1.00 0.00 C ATOM 118 OE1 GLU A 11 7.683 0.781 -14.788 1.00 0.00 O ATOM 119 OE2 GLU A 11 9.363 -0.681 -14.801 1.00 0.00 O ATOM 0 HA GLU A 11 9.978 2.811 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.559 2.440 -12.620 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.172 1.889 -13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.422 -0.471 -12.335 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.790 0.158 -12.229 1.00 0.00 H new ATOM 126 N LEU A 12 8.261 0.093 -9.983 1.00 0.00 N ATOM 127 CA LEU A 12 7.179 -0.419 -9.160 1.00 0.00 C ATOM 128 C LEU A 12 7.617 -0.424 -7.694 1.00 0.00 C ATOM 129 O LEU A 12 6.838 -0.078 -6.807 1.00 0.00 O ATOM 130 CB LEU A 12 6.719 -1.787 -9.670 1.00 0.00 C ATOM 131 CG LEU A 12 5.477 -1.787 -10.563 1.00 0.00 C ATOM 132 CD1 LEU A 12 5.115 -3.208 -10.998 1.00 0.00 C ATOM 133 CD2 LEU A 12 4.306 -1.082 -9.874 1.00 0.00 C ATOM 0 H LEU A 12 8.761 -0.616 -10.519 1.00 0.00 H new ATOM 0 HA LEU A 12 6.307 0.231 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.541 -2.241 -10.224 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.523 -2.426 -8.809 1.00 0.00 H new ATOM 0 HG LEU A 12 5.706 -1.222 -11.467 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.229 -3.180 -11.632 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.946 -3.641 -11.555 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.912 -3.818 -10.117 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.436 -1.096 -10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.067 -1.598 -8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.580 -0.050 -9.657 1.00 0.00 H new ATOM 145 N LEU A 13 8.864 -0.822 -7.484 1.00 0.00 N ATOM 146 CA LEU A 13 9.414 -0.877 -6.140 1.00 0.00 C ATOM 147 C LEU A 13 9.609 0.547 -5.615 1.00 0.00 C ATOM 148 O LEU A 13 9.954 1.451 -6.375 1.00 0.00 O ATOM 149 CB LEU A 13 10.691 -1.720 -6.119 1.00 0.00 C ATOM 150 CG LEU A 13 10.694 -2.910 -5.157 1.00 0.00 C ATOM 151 CD1 LEU A 13 12.042 -3.634 -5.183 1.00 0.00 C ATOM 152 CD2 LEU A 13 10.305 -2.471 -3.743 1.00 0.00 C ATOM 0 H LEU A 13 9.508 -1.109 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 13 8.719 -1.374 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.873 -2.093 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.528 -1.070 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 13 9.941 -3.623 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.017 -4.475 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.239 -3.999 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.832 -2.944 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.315 -3.335 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.018 -1.729 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.305 -2.037 -3.759 1.00 0.00 H new ATOM 164 N GLY A 14 9.381 0.701 -4.319 1.00 0.00 N ATOM 165 CA GLY A 14 9.527 2.000 -3.683 1.00 0.00 C ATOM 166 C GLY A 14 8.368 2.926 -4.056 1.00 0.00 C ATOM 167 O GLY A 14 8.450 4.138 -3.863 1.00 0.00 O ATOM 0 H GLY A 14 9.096 -0.052 -3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.565 1.877 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.471 2.453 -3.986 1.00 0.00 H new ATOM 171 N LYS A 15 7.314 2.321 -4.584 1.00 0.00 N ATOM 172 CA LYS A 15 6.141 3.076 -4.986 1.00 0.00 C ATOM 173 C LYS A 15 4.892 2.435 -4.375 1.00 0.00 C ATOM 174 O LYS A 15 4.913 1.263 -4.002 1.00 0.00 O ATOM 175 CB LYS A 15 6.082 3.206 -6.509 1.00 0.00 C ATOM 176 CG LYS A 15 5.290 2.052 -7.128 1.00 0.00 C ATOM 177 CD LYS A 15 3.948 2.540 -7.677 1.00 0.00 C ATOM 178 CE LYS A 15 4.145 3.380 -8.940 1.00 0.00 C ATOM 179 NZ LYS A 15 2.999 4.295 -9.138 1.00 0.00 N ATOM 0 H LYS A 15 7.249 1.316 -4.743 1.00 0.00 H new ATOM 0 HA LYS A 15 6.196 4.095 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.619 4.155 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.093 3.217 -6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.871 1.597 -7.930 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.121 1.279 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.310 1.685 -7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.434 3.131 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.068 3.955 -8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.250 2.726 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.149 4.858 -10.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.125 3.740 -9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.917 4.931 -8.319 1.00 0.00 H new ATOM 193 N VAL A 16 3.836 3.231 -4.292 1.00 0.00 N ATOM 194 CA VAL A 16 2.583 2.755 -3.733 1.00 0.00 C ATOM 195 C VAL A 16 1.909 1.814 -4.733 1.00 0.00 C ATOM 196 O VAL A 16 1.777 2.142 -5.911 1.00 0.00 O ATOM 197 CB VAL A 16 1.701 3.943 -3.343 1.00 0.00 C ATOM 198 CG1 VAL A 16 0.270 3.489 -3.044 1.00 0.00 C ATOM 199 CG2 VAL A 16 2.295 4.699 -2.153 1.00 0.00 C ATOM 0 H VAL A 16 3.823 4.202 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 16 2.763 2.186 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 16 1.666 4.627 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.336 4.353 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.154 3.015 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.279 2.776 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.649 5.538 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.374 4.027 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.285 5.071 -2.416 1.00 0.00 H new ATOM 209 N VAL A 17 1.497 0.660 -4.226 1.00 0.00 N ATOM 210 CA VAL A 17 0.840 -0.331 -5.060 1.00 0.00 C ATOM 211 C VAL A 17 -0.401 -0.859 -4.336 1.00 0.00 C ATOM 212 O VAL A 17 -0.518 -0.721 -3.119 1.00 0.00 O ATOM 213 CB VAL A 17 1.828 -1.438 -5.435 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.905 -0.911 -6.386 1.00 0.00 C ATOM 215 CG2 VAL A 17 2.456 -2.059 -4.186 1.00 0.00 C ATOM 0 H VAL A 17 1.606 0.390 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 17 0.505 0.119 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 17 1.274 -2.220 -5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.595 -1.717 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.436 -0.538 -7.296 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.453 -0.102 -5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.154 -2.843 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.989 -1.290 -3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.673 -2.487 -3.560 1.00 0.00 H new ATOM 225 N SER A 18 -1.295 -1.450 -5.114 1.00 0.00 N ATOM 226 CA SER A 18 -2.522 -1.998 -4.562 1.00 0.00 C ATOM 227 C SER A 18 -2.377 -3.508 -4.363 1.00 0.00 C ATOM 228 O SER A 18 -1.931 -4.217 -5.264 1.00 0.00 O ATOM 229 CB SER A 18 -3.718 -1.694 -5.468 1.00 0.00 C ATOM 230 OG SER A 18 -3.563 -2.266 -6.765 1.00 0.00 O ATOM 0 H SER A 18 -1.194 -1.562 -6.123 1.00 0.00 H new ATOM 0 HA SER A 18 -2.703 -1.526 -3.596 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.628 -2.079 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.839 -0.615 -5.560 1.00 0.00 H new ATOM 0 HG SER A 18 -2.779 -1.875 -7.203 1.00 0.00 H new ATOM 236 N VAL A 19 -2.764 -3.956 -3.177 1.00 0.00 N ATOM 237 CA VAL A 19 -2.683 -5.369 -2.848 1.00 0.00 C ATOM 238 C VAL A 19 -4.080 -5.987 -2.924 1.00 0.00 C ATOM 239 O VAL A 19 -5.010 -5.509 -2.276 1.00 0.00 O ATOM 240 CB VAL A 19 -2.022 -5.551 -1.480 1.00 0.00 C ATOM 241 CG1 VAL A 19 -2.232 -6.972 -0.955 1.00 0.00 C ATOM 242 CG2 VAL A 19 -0.534 -5.202 -1.540 1.00 0.00 C ATOM 0 H VAL A 19 -3.134 -3.365 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.056 -5.894 -3.569 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.499 -4.863 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.752 -7.075 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.299 -7.169 -0.856 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.794 -7.686 -1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.088 -5.340 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.036 -5.854 -2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.416 -4.164 -1.850 1.00 0.00 H new ATOM 252 N VAL A 20 -4.185 -7.040 -3.721 1.00 0.00 N ATOM 253 CA VAL A 20 -5.453 -7.729 -3.890 1.00 0.00 C ATOM 254 C VAL A 20 -5.571 -8.835 -2.841 1.00 0.00 C ATOM 255 O VAL A 20 -4.669 -9.659 -2.699 1.00 0.00 O ATOM 256 CB VAL A 20 -5.580 -8.247 -5.324 1.00 0.00 C ATOM 257 CG1 VAL A 20 -6.990 -8.779 -5.591 1.00 0.00 C ATOM 258 CG2 VAL A 20 -5.203 -7.161 -6.335 1.00 0.00 C ATOM 0 H VAL A 20 -3.412 -7.433 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.285 -7.043 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.881 -9.074 -5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.054 -9.141 -6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.207 -9.597 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.715 -7.979 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.302 -7.555 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.866 -6.304 -6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.172 -6.849 -6.166 1.00 0.00 H new ATOM 268 N SER A 21 -6.691 -8.820 -2.133 1.00 0.00 N ATOM 269 CA SER A 21 -6.940 -9.813 -1.102 1.00 0.00 C ATOM 270 C SER A 21 -7.214 -11.175 -1.742 1.00 0.00 C ATOM 271 O SER A 21 -8.089 -11.298 -2.597 1.00 0.00 O ATOM 272 CB SER A 21 -8.112 -9.399 -0.210 1.00 0.00 C ATOM 273 OG SER A 21 -8.307 -7.987 -0.206 1.00 0.00 O ATOM 0 H SER A 21 -7.437 -8.135 -2.253 1.00 0.00 H new ATOM 0 HA SER A 21 -6.051 -9.886 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.022 -9.890 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.932 -9.743 0.808 1.00 0.00 H new ATOM 0 HG SER A 21 -8.830 -7.727 -0.993 1.00 0.00 H new ATOM 279 N ALA A 22 -6.450 -12.164 -1.303 1.00 0.00 N ATOM 280 CA ALA A 22 -6.600 -13.512 -1.822 1.00 0.00 C ATOM 281 C ALA A 22 -8.033 -13.992 -1.577 1.00 0.00 C ATOM 282 O ALA A 22 -8.678 -14.517 -2.482 1.00 0.00 O ATOM 283 CB ALA A 22 -5.560 -14.429 -1.174 1.00 0.00 C ATOM 0 H ALA A 22 -5.725 -12.058 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.425 -13.530 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.673 -15.440 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.559 -14.062 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.706 -14.438 -0.094 1.00 0.00 H new ATOM 289 N THR A 23 -8.487 -13.795 -0.348 1.00 0.00 N ATOM 290 CA THR A 23 -9.830 -14.201 0.027 1.00 0.00 C ATOM 291 C THR A 23 -10.841 -13.119 -0.359 1.00 0.00 C ATOM 292 O THR A 23 -12.039 -13.271 -0.123 1.00 0.00 O ATOM 293 CB THR A 23 -9.827 -14.523 1.523 1.00 0.00 C ATOM 294 OG1 THR A 23 -9.019 -15.692 1.624 1.00 0.00 O ATOM 295 CG2 THR A 23 -11.199 -14.972 2.029 1.00 0.00 C ATOM 0 H THR A 23 -7.948 -13.359 0.401 1.00 0.00 H new ATOM 0 HA THR A 23 -10.137 -15.097 -0.512 1.00 0.00 H new ATOM 0 HB THR A 23 -9.505 -13.645 2.083 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.961 -15.970 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.141 -15.188 3.096 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.927 -14.179 1.858 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.508 -15.870 1.494 1.00 0.00 H new ATOM 303 N GLU A 24 -10.322 -12.050 -0.945 1.00 0.00 N ATOM 304 CA GLU A 24 -11.165 -10.944 -1.365 1.00 0.00 C ATOM 305 C GLU A 24 -10.552 -10.243 -2.580 1.00 0.00 C ATOM 306 O GLU A 24 -9.907 -9.204 -2.442 1.00 0.00 O ATOM 307 CB GLU A 24 -11.388 -9.957 -0.218 1.00 0.00 C ATOM 308 CG GLU A 24 -12.874 -9.845 0.127 1.00 0.00 C ATOM 309 CD GLU A 24 -13.087 -9.841 1.643 1.00 0.00 C ATOM 310 OE1 GLU A 24 -12.515 -8.939 2.293 1.00 0.00 O ATOM 311 OE2 GLU A 24 -13.817 -10.738 2.116 1.00 0.00 O ATOM 0 H GLU A 24 -9.328 -11.926 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.138 -11.343 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.831 -10.283 0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.001 -8.977 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.283 -8.931 -0.304 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.418 -10.678 -0.318 1.00 0.00 H new ATOM 318 N ARG A 25 -10.776 -10.838 -3.742 1.00 0.00 N ATOM 319 CA ARG A 25 -10.254 -10.283 -4.980 1.00 0.00 C ATOM 320 C ARG A 25 -10.701 -8.828 -5.140 1.00 0.00 C ATOM 321 O ARG A 25 -10.110 -8.075 -5.912 1.00 0.00 O ATOM 322 CB ARG A 25 -10.729 -11.091 -6.189 1.00 0.00 C ATOM 323 CG ARG A 25 -10.211 -12.529 -6.126 1.00 0.00 C ATOM 324 CD ARG A 25 -8.747 -12.603 -6.563 1.00 0.00 C ATOM 325 NE ARG A 25 -8.337 -14.017 -6.719 1.00 0.00 N ATOM 326 CZ ARG A 25 -8.660 -14.782 -7.770 1.00 0.00 C ATOM 327 NH1 ARG A 25 -9.401 -14.274 -8.766 1.00 0.00 N ATOM 328 NH2 ARG A 25 -8.244 -16.055 -7.828 1.00 0.00 N ATOM 0 H ARG A 25 -11.312 -11.699 -3.853 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.166 -10.329 -4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.818 -11.094 -6.223 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.383 -10.616 -7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.311 -12.911 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.819 -13.167 -6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.612 -12.071 -7.505 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.113 -12.111 -5.825 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.773 -14.435 -5.979 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.718 -13.306 -8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.647 -14.856 -9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.681 -16.442 -7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.491 -16.636 -8.629 1.00 0.00 H new ATOM 342 N THR A 26 -11.740 -8.477 -4.397 1.00 0.00 N ATOM 343 CA THR A 26 -12.273 -7.126 -4.446 1.00 0.00 C ATOM 344 C THR A 26 -11.451 -6.195 -3.554 1.00 0.00 C ATOM 345 O THR A 26 -10.648 -5.405 -4.047 1.00 0.00 O ATOM 346 CB THR A 26 -13.753 -7.188 -4.060 1.00 0.00 C ATOM 347 OG1 THR A 26 -14.413 -7.534 -5.275 1.00 0.00 O ATOM 348 CG2 THR A 26 -14.323 -5.812 -3.705 1.00 0.00 C ATOM 0 H THR A 26 -12.227 -9.105 -3.758 1.00 0.00 H new ATOM 0 HA THR A 26 -12.201 -6.709 -5.450 1.00 0.00 H new ATOM 0 HB THR A 26 -13.880 -7.863 -3.214 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.378 -7.598 -5.116 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.375 -5.912 -3.439 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.773 -5.397 -2.860 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.227 -5.146 -4.563 1.00 0.00 H new ATOM 356 N GLU A 27 -11.678 -6.321 -2.254 1.00 0.00 N ATOM 357 CA GLU A 27 -10.969 -5.500 -1.287 1.00 0.00 C ATOM 358 C GLU A 27 -9.486 -5.411 -1.654 1.00 0.00 C ATOM 359 O GLU A 27 -8.850 -6.427 -1.934 1.00 0.00 O ATOM 360 CB GLU A 27 -11.151 -6.043 0.132 1.00 0.00 C ATOM 361 CG GLU A 27 -12.301 -5.332 0.847 1.00 0.00 C ATOM 362 CD GLU A 27 -11.806 -4.622 2.108 1.00 0.00 C ATOM 363 OE1 GLU A 27 -11.656 -5.322 3.133 1.00 0.00 O ATOM 364 OE2 GLU A 27 -11.589 -3.394 2.020 1.00 0.00 O ATOM 0 H GLU A 27 -12.343 -6.979 -1.848 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.391 -4.495 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.349 -7.114 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.229 -5.910 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.760 -4.608 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.072 -6.055 1.111 1.00 0.00 H new ATOM 371 N TRP A 28 -8.979 -4.187 -1.641 1.00 0.00 N ATOM 372 CA TRP A 28 -7.582 -3.953 -1.969 1.00 0.00 C ATOM 373 C TRP A 28 -7.073 -2.814 -1.083 1.00 0.00 C ATOM 374 O TRP A 28 -7.826 -1.900 -0.748 1.00 0.00 O ATOM 375 CB TRP A 28 -7.410 -3.670 -3.463 1.00 0.00 C ATOM 376 CG TRP A 28 -7.901 -2.288 -3.895 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.087 -1.964 -4.429 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.168 -1.048 -3.809 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.172 -0.611 -4.693 1.00 0.00 N ATOM 380 CE2 TRP A 28 -7.968 -0.037 -4.303 1.00 0.00 C ATOM 381 CE3 TRP A 28 -5.872 -0.790 -3.329 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -7.560 1.301 -4.365 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -5.479 0.553 -3.398 1.00 0.00 C ATOM 384 CH2 TRP A 28 -6.272 1.583 -3.893 1.00 0.00 C ATOM 0 H TRP A 28 -9.510 -3.347 -1.409 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.985 -4.843 -1.770 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.356 -3.767 -3.722 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.948 -4.429 -4.030 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.877 -2.673 -4.628 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.971 -0.123 -5.099 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.230 -1.566 -2.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.204 2.074 -4.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.491 0.806 -3.042 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.896 2.595 -3.913 1.00 0.00 H new ATOM 395 N TYR A 29 -5.800 -2.906 -0.728 1.00 0.00 N ATOM 396 CA TYR A 29 -5.182 -1.895 0.112 1.00 0.00 C ATOM 397 C TYR A 29 -3.824 -1.471 -0.449 1.00 0.00 C ATOM 398 O TYR A 29 -3.133 -2.268 -1.083 1.00 0.00 O ATOM 399 CB TYR A 29 -4.973 -2.552 1.479 1.00 0.00 C ATOM 400 CG TYR A 29 -3.597 -3.196 1.656 1.00 0.00 C ATOM 401 CD1 TYR A 29 -2.537 -2.441 2.118 1.00 0.00 C ATOM 402 CD2 TYR A 29 -3.415 -4.529 1.354 1.00 0.00 C ATOM 403 CE1 TYR A 29 -1.242 -3.046 2.285 1.00 0.00 C ATOM 404 CE2 TYR A 29 -2.119 -5.135 1.520 1.00 0.00 C ATOM 405 CZ TYR A 29 -1.097 -4.364 1.978 1.00 0.00 C ATOM 406 OH TYR A 29 0.127 -4.936 2.136 1.00 0.00 O ATOM 0 H TYR A 29 -5.179 -3.666 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.810 -1.006 0.167 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.114 -1.801 2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.740 -3.312 1.626 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.680 -1.397 2.354 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.244 -5.119 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.404 -2.467 2.646 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.963 -6.178 1.286 1.00 0.00 H new ATOM 0 HH TYR A 29 0.037 -5.765 2.650 1.00 0.00 H new ATOM 416 N PRO A 30 -3.471 -0.184 -0.188 1.00 0.00 N ATOM 417 CA PRO A 30 -2.206 0.356 -0.660 1.00 0.00 C ATOM 418 C PRO A 30 -1.039 -0.169 0.177 1.00 0.00 C ATOM 419 O PRO A 30 -1.113 -0.194 1.404 1.00 0.00 O ATOM 420 CB PRO A 30 -2.367 1.865 -0.574 1.00 0.00 C ATOM 421 CG PRO A 30 -3.531 2.108 0.373 1.00 0.00 C ATOM 422 CD PRO A 30 -4.262 0.789 0.560 1.00 0.00 C ATOM 0 HA PRO A 30 -1.972 0.051 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.456 2.334 -0.202 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.567 2.293 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.172 2.485 1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.204 2.863 -0.034 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.328 0.519 1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.282 0.845 0.181 1.00 0.00 H new ATOM 430 N ALA A 31 0.011 -0.577 -0.520 1.00 0.00 N ATOM 431 CA ALA A 31 1.192 -1.100 0.144 1.00 0.00 C ATOM 432 C ALA A 31 2.438 -0.702 -0.652 1.00 0.00 C ATOM 433 O ALA A 31 2.448 -0.784 -1.878 1.00 0.00 O ATOM 434 CB ALA A 31 1.061 -2.616 0.299 1.00 0.00 C ATOM 0 H ALA A 31 0.068 -0.556 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 31 1.289 -0.676 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.947 -3.009 0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.178 -2.846 0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.964 -3.075 -0.685 1.00 0.00 H new ATOM 440 N LEU A 32 3.459 -0.279 0.081 1.00 0.00 N ATOM 441 CA LEU A 32 4.706 0.132 -0.540 1.00 0.00 C ATOM 442 C LEU A 32 5.643 -1.072 -0.638 1.00 0.00 C ATOM 443 O LEU A 32 6.135 -1.565 0.376 1.00 0.00 O ATOM 444 CB LEU A 32 5.309 1.322 0.208 1.00 0.00 C ATOM 445 CG LEU A 32 6.526 1.979 -0.448 1.00 0.00 C ATOM 446 CD1 LEU A 32 6.191 2.469 -1.858 1.00 0.00 C ATOM 447 CD2 LEU A 32 7.085 3.100 0.431 1.00 0.00 C ATOM 0 H LEU A 32 3.447 -0.212 1.099 1.00 0.00 H new ATOM 0 HA LEU A 32 4.529 0.481 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.534 2.079 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.593 0.992 1.207 1.00 0.00 H new ATOM 0 HG LEU A 32 7.309 1.227 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.073 2.932 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.877 1.625 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.384 3.200 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.949 3.550 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.318 3.859 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.387 2.690 1.395 1.00 0.00 H new ATOM 459 N VAL A 33 5.862 -1.513 -1.869 1.00 0.00 N ATOM 460 CA VAL A 33 6.732 -2.652 -2.111 1.00 0.00 C ATOM 461 C VAL A 33 8.123 -2.354 -1.547 1.00 0.00 C ATOM 462 O VAL A 33 8.593 -1.220 -1.612 1.00 0.00 O ATOM 463 CB VAL A 33 6.751 -2.985 -3.605 1.00 0.00 C ATOM 464 CG1 VAL A 33 7.632 -4.204 -3.884 1.00 0.00 C ATOM 465 CG2 VAL A 33 5.333 -3.201 -4.137 1.00 0.00 C ATOM 0 H VAL A 33 5.452 -1.103 -2.708 1.00 0.00 H new ATOM 0 HA VAL A 33 6.356 -3.537 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 33 7.181 -2.133 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.628 -4.419 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.652 -3.998 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.245 -5.065 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.375 -3.436 -5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.865 -4.027 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.747 -2.294 -3.989 1.00 0.00 H new ATOM 475 N ILE A 34 8.742 -3.394 -1.008 1.00 0.00 N ATOM 476 CA ILE A 34 10.069 -3.259 -0.433 1.00 0.00 C ATOM 477 C ILE A 34 10.757 -4.626 -0.422 1.00 0.00 C ATOM 478 O ILE A 34 10.169 -5.624 -0.837 1.00 0.00 O ATOM 479 CB ILE A 34 9.991 -2.598 0.945 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.789 -3.119 1.736 1.00 0.00 C ATOM 481 CG2 ILE A 34 9.980 -1.074 0.822 1.00 0.00 C ATOM 482 CD1 ILE A 34 8.949 -2.831 3.229 1.00 0.00 C ATOM 0 H ILE A 34 8.349 -4.334 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 34 10.684 -2.598 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 34 10.886 -2.869 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.876 -2.651 1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.683 -4.192 1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.924 -0.629 1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.893 -0.742 0.327 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.115 -0.763 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.081 -3.211 3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.850 -3.321 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.030 -1.755 3.385 1.00 0.00 H new ATOM 494 N SER A 35 11.991 -4.628 0.060 1.00 0.00 N ATOM 495 CA SER A 35 12.765 -5.855 0.131 1.00 0.00 C ATOM 496 C SER A 35 13.171 -6.136 1.579 1.00 0.00 C ATOM 497 O SER A 35 13.428 -5.208 2.346 1.00 0.00 O ATOM 498 CB SER A 35 14.004 -5.778 -0.763 1.00 0.00 C ATOM 499 OG SER A 35 15.152 -5.334 -0.045 1.00 0.00 O ATOM 0 H SER A 35 12.474 -3.799 0.405 1.00 0.00 H new ATOM 0 HA SER A 35 12.141 -6.673 -0.229 1.00 0.00 H new ATOM 0 HB2 SER A 35 14.202 -6.760 -1.193 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.811 -5.099 -1.594 1.00 0.00 H new ATOM 0 HG SER A 35 15.923 -5.299 -0.649 1.00 0.00 H new ATOM 505 N PRO A 36 13.218 -7.451 1.919 1.00 0.00 N ATOM 506 CA PRO A 36 13.588 -7.864 3.262 1.00 0.00 C ATOM 507 C PRO A 36 15.095 -7.718 3.484 1.00 0.00 C ATOM 508 O PRO A 36 15.874 -8.577 3.075 1.00 0.00 O ATOM 509 CB PRO A 36 13.108 -9.302 3.378 1.00 0.00 C ATOM 510 CG PRO A 36 12.906 -9.790 1.953 1.00 0.00 C ATOM 511 CD PRO A 36 12.921 -8.576 1.037 1.00 0.00 C ATOM 0 HA PRO A 36 13.133 -7.243 4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.840 -9.917 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.179 -9.359 3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.695 -10.489 1.674 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.960 -10.324 1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.675 -8.678 0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.961 -8.445 0.537 1.00 0.00 H new ATOM 519 N SER A 37 15.461 -6.622 4.133 1.00 0.00 N ATOM 520 CA SER A 37 16.860 -6.351 4.416 1.00 0.00 C ATOM 521 C SER A 37 17.165 -6.645 5.886 1.00 0.00 C ATOM 522 O SER A 37 18.013 -7.481 6.193 1.00 0.00 O ATOM 523 CB SER A 37 17.221 -4.903 4.078 1.00 0.00 C ATOM 524 OG SER A 37 18.418 -4.816 3.311 1.00 0.00 O ATOM 0 H SER A 37 14.812 -5.911 4.471 1.00 0.00 H new ATOM 0 HA SER A 37 17.467 -7.004 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 37 16.402 -4.445 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 37 17.339 -4.334 5.000 1.00 0.00 H new ATOM 0 HG SER A 37 18.613 -3.876 3.114 1.00 0.00 H new ATOM 530 N CYS A 38 16.454 -5.941 6.755 1.00 0.00 N ATOM 531 CA CYS A 38 16.638 -6.116 8.187 1.00 0.00 C ATOM 532 C CYS A 38 15.761 -7.282 8.644 1.00 0.00 C ATOM 533 O CYS A 38 16.176 -8.086 9.478 1.00 0.00 O ATOM 534 CB CYS A 38 16.327 -4.832 8.958 1.00 0.00 C ATOM 535 SG CYS A 38 14.607 -4.302 8.624 1.00 0.00 S ATOM 0 H CYS A 38 15.751 -5.249 6.496 1.00 0.00 H new ATOM 0 HA CYS A 38 17.683 -6.344 8.397 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.464 -4.997 10.027 1.00 0.00 H new ATOM 0 HB3 CYS A 38 17.022 -4.045 8.665 1.00 0.00 H new ATOM 0 HG CYS A 38 13.814 -5.329 8.701 1.00 0.00 H new ATOM 541 N ASN A 39 14.564 -7.339 8.078 1.00 0.00 N ATOM 542 CA ASN A 39 13.625 -8.395 8.418 1.00 0.00 C ATOM 543 C ASN A 39 14.133 -9.724 7.856 1.00 0.00 C ATOM 544 O ASN A 39 14.200 -9.904 6.641 1.00 0.00 O ATOM 545 CB ASN A 39 12.246 -8.121 7.813 1.00 0.00 C ATOM 546 CG ASN A 39 11.590 -6.905 8.469 1.00 0.00 C ATOM 547 OD1 ASN A 39 11.939 -5.765 8.214 1.00 0.00 O ATOM 548 ND2 ASN A 39 10.623 -7.213 9.328 1.00 0.00 N ATOM 0 H ASN A 39 14.223 -6.671 7.386 1.00 0.00 H new ATOM 0 HA ASN A 39 13.541 -8.435 9.504 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.343 -7.952 6.741 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.609 -8.996 7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.123 -6.473 9.820 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.381 -8.190 9.495 1.00 0.00 H new ATOM 555 N ASP A 40 14.478 -10.622 8.767 1.00 0.00 N ATOM 556 CA ASP A 40 14.978 -11.929 8.377 1.00 0.00 C ATOM 557 C ASP A 40 13.937 -12.994 8.729 1.00 0.00 C ATOM 558 O ASP A 40 13.511 -13.759 7.866 1.00 0.00 O ATOM 559 CB ASP A 40 16.271 -12.268 9.122 1.00 0.00 C ATOM 560 CG ASP A 40 17.376 -12.875 8.255 1.00 0.00 C ATOM 561 OD1 ASP A 40 17.227 -12.806 7.016 1.00 0.00 O ATOM 562 OD2 ASP A 40 18.344 -13.396 8.851 1.00 0.00 O ATOM 0 H ASP A 40 14.421 -10.470 9.774 1.00 0.00 H new ATOM 0 HA ASP A 40 15.173 -11.910 7.305 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.653 -11.360 9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.037 -12.965 9.927 1.00 0.00 H new ATOM 567 N ASP A 41 13.558 -13.009 9.999 1.00 0.00 N ATOM 568 CA ASP A 41 12.575 -13.967 10.475 1.00 0.00 C ATOM 569 C ASP A 41 11.410 -14.032 9.484 1.00 0.00 C ATOM 570 O ASP A 41 11.069 -15.105 8.991 1.00 0.00 O ATOM 571 CB ASP A 41 12.015 -13.552 11.836 1.00 0.00 C ATOM 572 CG ASP A 41 12.812 -14.052 13.043 1.00 0.00 C ATOM 573 OD1 ASP A 41 13.002 -15.284 13.126 1.00 0.00 O ATOM 574 OD2 ASP A 41 13.213 -13.190 13.855 1.00 0.00 O ATOM 0 H ASP A 41 13.914 -12.373 10.712 1.00 0.00 H new ATOM 0 HA ASP A 41 13.066 -14.936 10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.968 -12.464 11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.992 -13.919 11.918 1.00 0.00 H new ATOM 579 N ILE A 42 10.833 -12.867 9.223 1.00 0.00 N ATOM 580 CA ILE A 42 9.714 -12.777 8.301 1.00 0.00 C ATOM 581 C ILE A 42 10.211 -13.030 6.876 1.00 0.00 C ATOM 582 O ILE A 42 10.102 -12.160 6.013 1.00 0.00 O ATOM 583 CB ILE A 42 8.985 -11.443 8.471 1.00 0.00 C ATOM 584 CG1 ILE A 42 8.462 -11.282 9.900 1.00 0.00 C ATOM 585 CG2 ILE A 42 7.872 -11.290 7.432 1.00 0.00 C ATOM 586 CD1 ILE A 42 8.975 -9.985 10.528 1.00 0.00 C ATOM 0 H ILE A 42 11.120 -11.979 9.634 1.00 0.00 H new ATOM 0 HA ILE A 42 8.975 -13.547 8.522 1.00 0.00 H new ATOM 0 HB ILE A 42 9.700 -10.639 8.298 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.372 -11.281 9.894 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.777 -12.133 10.504 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.370 -10.333 7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.301 -11.328 6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.151 -12.099 7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.589 -9.895 11.543 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.065 -10.000 10.554 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.638 -9.135 9.935 1.00 0.00 H new ATOM 598 N THR A 43 10.747 -14.225 6.673 1.00 0.00 N ATOM 599 CA THR A 43 11.262 -14.603 5.368 1.00 0.00 C ATOM 600 C THR A 43 10.204 -14.363 4.288 1.00 0.00 C ATOM 601 O THR A 43 9.010 -14.522 4.538 1.00 0.00 O ATOM 602 CB THR A 43 11.731 -16.057 5.448 1.00 0.00 C ATOM 603 OG1 THR A 43 12.435 -16.261 4.225 1.00 0.00 O ATOM 604 CG2 THR A 43 10.570 -17.051 5.378 1.00 0.00 C ATOM 0 H THR A 43 10.836 -14.944 7.391 1.00 0.00 H new ATOM 0 HA THR A 43 12.116 -13.987 5.085 1.00 0.00 H new ATOM 0 HB THR A 43 12.285 -16.210 6.374 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.776 -17.179 4.193 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.958 -18.068 5.439 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.887 -16.872 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.037 -16.922 4.436 1.00 0.00 H new ATOM 612 N VAL A 44 10.681 -13.984 3.112 1.00 0.00 N ATOM 613 CA VAL A 44 9.791 -13.722 1.993 1.00 0.00 C ATOM 614 C VAL A 44 10.006 -14.787 0.916 1.00 0.00 C ATOM 615 O VAL A 44 11.134 -15.024 0.487 1.00 0.00 O ATOM 616 CB VAL A 44 10.006 -12.297 1.477 1.00 0.00 C ATOM 617 CG1 VAL A 44 9.230 -12.062 0.180 1.00 0.00 C ATOM 618 CG2 VAL A 44 9.625 -11.265 2.541 1.00 0.00 C ATOM 0 H VAL A 44 11.672 -13.852 2.909 1.00 0.00 H new ATOM 0 HA VAL A 44 8.750 -13.786 2.309 1.00 0.00 H new ATOM 0 HB VAL A 44 11.067 -12.175 1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.400 -11.042 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.571 -12.764 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.166 -12.212 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.787 -10.261 2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.574 -11.386 2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.242 -11.412 3.428 1.00 0.00 H new ATOM 628 N LYS A 45 8.904 -15.400 0.508 1.00 0.00 N ATOM 629 CA LYS A 45 8.958 -16.434 -0.512 1.00 0.00 C ATOM 630 C LYS A 45 9.376 -15.809 -1.844 1.00 0.00 C ATOM 631 O LYS A 45 9.328 -14.590 -2.005 1.00 0.00 O ATOM 632 CB LYS A 45 7.629 -17.190 -0.578 1.00 0.00 C ATOM 633 CG LYS A 45 7.610 -18.353 0.416 1.00 0.00 C ATOM 634 CD LYS A 45 7.189 -17.878 1.809 1.00 0.00 C ATOM 635 CE LYS A 45 8.132 -18.424 2.883 1.00 0.00 C ATOM 636 NZ LYS A 45 7.424 -18.557 4.175 1.00 0.00 N ATOM 0 H LYS A 45 7.969 -15.201 0.865 1.00 0.00 H new ATOM 0 HA LYS A 45 9.711 -17.180 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.807 -16.508 -0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.471 -17.568 -1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.922 -19.123 0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.599 -18.809 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.188 -16.788 1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.170 -18.204 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.522 -19.394 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.987 -17.758 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.078 -18.929 4.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.073 -17.625 4.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.622 -19.210 4.066 1.00 0.00 H new ATOM 650 N LYS A 46 9.777 -16.673 -2.766 1.00 0.00 N ATOM 651 CA LYS A 46 10.204 -16.221 -4.079 1.00 0.00 C ATOM 652 C LYS A 46 9.007 -15.624 -4.822 1.00 0.00 C ATOM 653 O LYS A 46 9.161 -14.686 -5.602 1.00 0.00 O ATOM 654 CB LYS A 46 10.895 -17.356 -4.837 1.00 0.00 C ATOM 655 CG LYS A 46 12.404 -17.116 -4.928 1.00 0.00 C ATOM 656 CD LYS A 46 13.087 -17.408 -3.591 1.00 0.00 C ATOM 657 CE LYS A 46 14.308 -18.309 -3.785 1.00 0.00 C ATOM 658 NZ LYS A 46 14.816 -18.784 -2.478 1.00 0.00 N ATOM 0 H LYS A 46 9.815 -17.683 -2.629 1.00 0.00 H new ATOM 0 HA LYS A 46 10.949 -15.430 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.704 -18.304 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.475 -17.437 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.831 -17.751 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.595 -16.083 -5.220 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.392 -16.472 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.380 -17.888 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.042 -19.162 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.091 -17.762 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.645 -19.394 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.089 -17.968 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.072 -19.324 -1.992 1.00 0.00 H new ATOM 672 N ASP A 47 7.842 -16.194 -4.555 1.00 0.00 N ATOM 673 CA ASP A 47 6.619 -15.730 -5.189 1.00 0.00 C ATOM 674 C ASP A 47 5.929 -14.716 -4.274 1.00 0.00 C ATOM 675 O ASP A 47 4.713 -14.538 -4.344 1.00 0.00 O ATOM 676 CB ASP A 47 5.648 -16.889 -5.428 1.00 0.00 C ATOM 677 CG ASP A 47 5.374 -17.765 -4.204 1.00 0.00 C ATOM 678 OD1 ASP A 47 6.333 -18.431 -3.756 1.00 0.00 O ATOM 679 OD2 ASP A 47 4.212 -17.749 -3.744 1.00 0.00 O ATOM 0 H ASP A 47 7.718 -16.973 -3.908 1.00 0.00 H new ATOM 0 HA ASP A 47 6.885 -15.279 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.702 -16.483 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.045 -17.518 -6.225 1.00 0.00 H new ATOM 684 N GLN A 48 6.734 -14.077 -3.438 1.00 0.00 N ATOM 685 CA GLN A 48 6.216 -13.085 -2.511 1.00 0.00 C ATOM 686 C GLN A 48 7.193 -11.914 -2.385 1.00 0.00 C ATOM 687 O GLN A 48 8.363 -12.036 -2.747 1.00 0.00 O ATOM 688 CB GLN A 48 5.929 -13.710 -1.144 1.00 0.00 C ATOM 689 CG GLN A 48 4.608 -14.480 -1.160 1.00 0.00 C ATOM 690 CD GLN A 48 4.384 -15.211 0.166 1.00 0.00 C ATOM 691 OE1 GLN A 48 5.040 -14.959 1.163 1.00 0.00 O ATOM 692 NE2 GLN A 48 3.423 -16.129 0.122 1.00 0.00 N ATOM 0 H GLN A 48 7.741 -14.227 -3.383 1.00 0.00 H new ATOM 0 HA GLN A 48 5.274 -12.705 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.742 -14.382 -0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.890 -12.929 -0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.783 -13.791 -1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.612 -15.199 -1.980 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.911 -16.291 -0.746 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.197 -16.672 0.956 1.00 0.00 H new ATOM 701 N CYS A 49 6.677 -10.808 -1.872 1.00 0.00 N ATOM 702 CA CYS A 49 7.490 -9.616 -1.694 1.00 0.00 C ATOM 703 C CYS A 49 6.980 -8.867 -0.462 1.00 0.00 C ATOM 704 O CYS A 49 5.816 -8.999 -0.088 1.00 0.00 O ATOM 705 CB CYS A 49 7.481 -8.734 -2.943 1.00 0.00 C ATOM 706 SG CYS A 49 9.193 -8.285 -3.405 1.00 0.00 S ATOM 0 H CYS A 49 5.706 -10.711 -1.574 1.00 0.00 H new ATOM 0 HA CYS A 49 8.530 -9.902 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.000 -9.261 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.897 -7.832 -2.757 1.00 0.00 H new ATOM 0 HG CYS A 49 9.174 -7.538 -4.469 1.00 0.00 H new ATOM 712 N LEU A 50 7.877 -8.096 0.136 1.00 0.00 N ATOM 713 CA LEU A 50 7.532 -7.324 1.319 1.00 0.00 C ATOM 714 C LEU A 50 6.951 -5.975 0.891 1.00 0.00 C ATOM 715 O LEU A 50 7.470 -5.332 -0.020 1.00 0.00 O ATOM 716 CB LEU A 50 8.740 -7.206 2.251 1.00 0.00 C ATOM 717 CG LEU A 50 8.463 -6.606 3.631 1.00 0.00 C ATOM 718 CD1 LEU A 50 7.412 -7.424 4.385 1.00 0.00 C ATOM 719 CD2 LEU A 50 9.758 -6.459 4.433 1.00 0.00 C ATOM 0 H LEU A 50 8.842 -7.989 -0.176 1.00 0.00 H new ATOM 0 HA LEU A 50 6.761 -7.834 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.168 -8.199 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.498 -6.598 1.757 1.00 0.00 H new ATOM 0 HG LEU A 50 8.053 -5.606 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.234 -6.975 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.482 -7.435 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.770 -8.445 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.534 -6.030 5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.218 -7.438 4.563 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.445 -5.803 3.898 1.00 0.00 H new ATOM 731 N VAL A 51 5.880 -5.587 1.568 1.00 0.00 N ATOM 732 CA VAL A 51 5.222 -4.326 1.270 1.00 0.00 C ATOM 733 C VAL A 51 4.937 -3.583 2.576 1.00 0.00 C ATOM 734 O VAL A 51 4.890 -4.192 3.644 1.00 0.00 O ATOM 735 CB VAL A 51 3.963 -4.576 0.437 1.00 0.00 C ATOM 736 CG1 VAL A 51 4.264 -5.496 -0.748 1.00 0.00 C ATOM 737 CG2 VAL A 51 2.838 -5.148 1.303 1.00 0.00 C ATOM 0 H VAL A 51 5.451 -6.124 2.322 1.00 0.00 H new ATOM 0 HA VAL A 51 5.872 -3.689 0.669 1.00 0.00 H new ATOM 0 HB VAL A 51 3.627 -3.618 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.353 -5.658 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.018 -5.034 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.636 -6.453 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.955 -5.317 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.161 -6.092 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.597 -4.443 2.098 1.00 0.00 H new ATOM 747 N ARG A 52 4.755 -2.277 2.449 1.00 0.00 N ATOM 748 CA ARG A 52 4.476 -1.444 3.607 1.00 0.00 C ATOM 749 C ARG A 52 3.114 -0.762 3.454 1.00 0.00 C ATOM 750 O ARG A 52 2.972 0.181 2.678 1.00 0.00 O ATOM 751 CB ARG A 52 5.556 -0.376 3.790 1.00 0.00 C ATOM 752 CG ARG A 52 6.457 -0.707 4.982 1.00 0.00 C ATOM 753 CD ARG A 52 7.740 0.125 4.946 1.00 0.00 C ATOM 754 NE ARG A 52 8.013 0.692 6.287 1.00 0.00 N ATOM 755 CZ ARG A 52 9.232 1.043 6.719 1.00 0.00 C ATOM 756 NH1 ARG A 52 10.297 0.887 5.921 1.00 0.00 N ATOM 757 NH2 ARG A 52 9.384 1.548 7.951 1.00 0.00 N ATOM 0 H ARG A 52 4.795 -1.775 1.562 1.00 0.00 H new ATOM 0 HA ARG A 52 4.467 -2.089 4.486 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.158 -0.303 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.089 0.597 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.921 -0.516 5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.707 -1.768 4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.577 -0.496 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.642 0.928 4.215 1.00 0.00 H new ATOM 0 HE ARG A 52 7.225 0.823 6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.180 0.501 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.225 1.154 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.573 1.665 8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.311 1.816 8.282 1.00 0.00 H new ATOM 771 N SER A 53 2.148 -1.267 4.207 1.00 0.00 N ATOM 772 CA SER A 53 0.803 -0.718 4.165 1.00 0.00 C ATOM 773 C SER A 53 0.812 0.728 4.664 1.00 0.00 C ATOM 774 O SER A 53 1.421 1.031 5.690 1.00 0.00 O ATOM 775 CB SER A 53 -0.162 -1.562 5.000 1.00 0.00 C ATOM 776 OG SER A 53 -1.490 -1.045 4.965 1.00 0.00 O ATOM 0 H SER A 53 2.270 -2.050 4.849 1.00 0.00 H new ATOM 0 HA SER A 53 0.458 -0.736 3.131 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.162 -2.587 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.187 -1.597 6.032 1.00 0.00 H new ATOM 0 HG SER A 53 -1.950 -1.379 4.167 1.00 0.00 H new ATOM 782 N PHE A 54 0.129 1.583 3.917 1.00 0.00 N ATOM 783 CA PHE A 54 0.051 2.990 4.271 1.00 0.00 C ATOM 784 C PHE A 54 -1.128 3.254 5.209 1.00 0.00 C ATOM 785 O PHE A 54 -1.592 4.388 5.325 1.00 0.00 O ATOM 786 CB PHE A 54 -0.162 3.768 2.971 1.00 0.00 C ATOM 787 CG PHE A 54 1.094 3.891 2.106 1.00 0.00 C ATOM 788 CD1 PHE A 54 2.065 4.783 2.441 1.00 0.00 C ATOM 789 CD2 PHE A 54 1.240 3.110 1.003 1.00 0.00 C ATOM 790 CE1 PHE A 54 3.231 4.897 1.638 1.00 0.00 C ATOM 791 CE2 PHE A 54 2.405 3.225 0.200 1.00 0.00 C ATOM 792 CZ PHE A 54 3.376 4.116 0.536 1.00 0.00 C ATOM 0 H PHE A 54 -0.376 1.328 3.068 1.00 0.00 H new ATOM 0 HA PHE A 54 0.964 3.296 4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.944 3.278 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.523 4.768 3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.949 5.404 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.469 2.402 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.002 5.605 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.520 2.605 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.263 4.203 -0.074 1.00 0.00 H new ATOM 802 N ILE A 55 -1.580 2.189 5.855 1.00 0.00 N ATOM 803 CA ILE A 55 -2.697 2.292 6.779 1.00 0.00 C ATOM 804 C ILE A 55 -2.164 2.341 8.212 1.00 0.00 C ATOM 805 O ILE A 55 -2.332 3.342 8.907 1.00 0.00 O ATOM 806 CB ILE A 55 -3.700 1.164 6.534 1.00 0.00 C ATOM 807 CG1 ILE A 55 -4.330 1.282 5.144 1.00 0.00 C ATOM 808 CG2 ILE A 55 -4.758 1.121 7.639 1.00 0.00 C ATOM 809 CD1 ILE A 55 -5.150 0.035 4.806 1.00 0.00 C ATOM 0 H ILE A 55 -1.193 1.250 5.757 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.247 3.218 6.611 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.162 0.217 6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.969 2.164 5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.548 1.421 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.459 0.310 7.440 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.273 0.954 8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.297 2.068 7.664 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.587 0.145 3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.503 -0.842 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.946 -0.087 5.541 1.00 0.00 H new ATOM 821 N ASP A 56 -1.532 1.247 8.613 1.00 0.00 N ATOM 822 CA ASP A 56 -0.974 1.151 9.950 1.00 0.00 C ATOM 823 C ASP A 56 0.540 1.363 9.882 1.00 0.00 C ATOM 824 O ASP A 56 1.204 1.454 10.914 1.00 0.00 O ATOM 825 CB ASP A 56 -1.232 -0.228 10.559 1.00 0.00 C ATOM 826 CG ASP A 56 -0.862 -0.363 12.037 1.00 0.00 C ATOM 827 OD1 ASP A 56 0.354 -0.322 12.324 1.00 0.00 O ATOM 828 OD2 ASP A 56 -1.803 -0.503 12.846 1.00 0.00 O ATOM 0 H ASP A 56 -1.394 0.419 8.034 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.450 1.912 10.569 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.289 -0.468 10.441 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.671 -0.970 9.991 1.00 0.00 H new ATOM 833 N SER A 57 1.041 1.436 8.658 1.00 0.00 N ATOM 834 CA SER A 57 2.464 1.636 8.442 1.00 0.00 C ATOM 835 C SER A 57 3.246 0.427 8.962 1.00 0.00 C ATOM 836 O SER A 57 4.285 0.584 9.602 1.00 0.00 O ATOM 837 CB SER A 57 2.950 2.916 9.125 1.00 0.00 C ATOM 838 OG SER A 57 4.373 2.993 9.161 1.00 0.00 O ATOM 0 H SER A 57 0.487 1.360 7.805 1.00 0.00 H new ATOM 0 HA SER A 57 2.637 1.740 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.553 3.783 8.596 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.559 2.956 10.142 1.00 0.00 H new ATOM 0 HG SER A 57 4.690 3.542 8.414 1.00 0.00 H new ATOM 844 N LYS A 58 2.717 -0.752 8.666 1.00 0.00 N ATOM 845 CA LYS A 58 3.353 -1.986 9.096 1.00 0.00 C ATOM 846 C LYS A 58 3.972 -2.683 7.883 1.00 0.00 C ATOM 847 O LYS A 58 4.025 -2.114 6.794 1.00 0.00 O ATOM 848 CB LYS A 58 2.362 -2.858 9.868 1.00 0.00 C ATOM 849 CG LYS A 58 2.215 -2.374 11.312 1.00 0.00 C ATOM 850 CD LYS A 58 2.796 -3.394 12.293 1.00 0.00 C ATOM 851 CE LYS A 58 3.129 -2.736 13.634 1.00 0.00 C ATOM 852 NZ LYS A 58 2.992 -3.711 14.739 1.00 0.00 N ATOM 0 H LYS A 58 1.856 -0.878 8.134 1.00 0.00 H new ATOM 0 HA LYS A 58 4.165 -1.775 9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.391 -2.837 9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.701 -3.894 9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.724 -1.417 11.432 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.162 -2.206 11.538 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.082 -4.203 12.448 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.696 -3.840 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.146 -2.344 13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.465 -1.889 13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.222 -3.248 15.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.015 -4.065 14.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.643 -4.507 14.583 1.00 0.00 H new ATOM 866 N PHE A 59 4.426 -3.907 8.113 1.00 0.00 N ATOM 867 CA PHE A 59 5.039 -4.689 7.052 1.00 0.00 C ATOM 868 C PHE A 59 4.228 -5.954 6.765 1.00 0.00 C ATOM 869 O PHE A 59 3.910 -6.714 7.679 1.00 0.00 O ATOM 870 CB PHE A 59 6.432 -5.091 7.542 1.00 0.00 C ATOM 871 CG PHE A 59 7.427 -3.930 7.604 1.00 0.00 C ATOM 872 CD1 PHE A 59 8.011 -3.472 6.465 1.00 0.00 C ATOM 873 CD2 PHE A 59 7.728 -3.357 8.801 1.00 0.00 C ATOM 874 CE1 PHE A 59 8.936 -2.396 6.524 1.00 0.00 C ATOM 875 CE2 PHE A 59 8.652 -2.280 8.860 1.00 0.00 C ATOM 876 CZ PHE A 59 9.236 -1.823 7.720 1.00 0.00 C ATOM 0 H PHE A 59 4.382 -4.376 9.018 1.00 0.00 H new ATOM 0 HA PHE A 59 5.083 -4.102 6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.344 -5.534 8.534 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.830 -5.862 6.883 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.771 -3.927 5.515 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.264 -3.721 9.706 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.401 -2.033 5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.891 -1.824 9.810 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.939 -1.004 7.765 1.00 0.00 H new ATOM 886 N TYR A 60 3.917 -6.142 5.491 1.00 0.00 N ATOM 887 CA TYR A 60 3.150 -7.303 5.072 1.00 0.00 C ATOM 888 C TYR A 60 3.859 -8.050 3.941 1.00 0.00 C ATOM 889 O TYR A 60 4.669 -7.469 3.221 1.00 0.00 O ATOM 890 CB TYR A 60 1.816 -6.761 4.550 1.00 0.00 C ATOM 891 CG TYR A 60 0.888 -6.235 5.646 1.00 0.00 C ATOM 892 CD1 TYR A 60 1.055 -4.956 6.136 1.00 0.00 C ATOM 893 CD2 TYR A 60 -0.117 -7.039 6.144 1.00 0.00 C ATOM 894 CE1 TYR A 60 0.180 -4.459 7.167 1.00 0.00 C ATOM 895 CE2 TYR A 60 -0.992 -6.544 7.175 1.00 0.00 C ATOM 896 CZ TYR A 60 -0.799 -5.278 7.636 1.00 0.00 C ATOM 897 OH TYR A 60 -1.626 -4.810 8.610 1.00 0.00 O ATOM 0 H TYR A 60 4.182 -5.510 4.735 1.00 0.00 H new ATOM 0 HA TYR A 60 3.024 -7.999 5.901 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.014 -5.958 3.840 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.303 -7.552 4.002 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.842 -4.327 5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.247 -8.040 5.760 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.299 -3.459 7.558 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.783 -7.163 7.573 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.277 -5.503 8.847 1.00 0.00 H new ATOM 907 N SER A 61 3.529 -9.328 3.822 1.00 0.00 N ATOM 908 CA SER A 61 4.125 -10.161 2.791 1.00 0.00 C ATOM 909 C SER A 61 3.038 -10.696 1.857 1.00 0.00 C ATOM 910 O SER A 61 2.337 -11.648 2.193 1.00 0.00 O ATOM 911 CB SER A 61 4.912 -11.320 3.407 1.00 0.00 C ATOM 912 OG SER A 61 4.398 -11.697 4.681 1.00 0.00 O ATOM 0 H SER A 61 2.857 -9.807 4.422 1.00 0.00 H new ATOM 0 HA SER A 61 4.820 -9.549 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.880 -12.178 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.959 -11.034 3.509 1.00 0.00 H new ATOM 0 HG SER A 61 4.926 -12.440 5.040 1.00 0.00 H new ATOM 918 N ILE A 62 2.932 -10.058 0.699 1.00 0.00 N ATOM 919 CA ILE A 62 1.942 -10.456 -0.287 1.00 0.00 C ATOM 920 C ILE A 62 2.654 -11.006 -1.524 1.00 0.00 C ATOM 921 O ILE A 62 3.883 -11.033 -1.577 1.00 0.00 O ATOM 922 CB ILE A 62 0.990 -9.297 -0.589 1.00 0.00 C ATOM 923 CG1 ILE A 62 1.285 -8.097 0.311 1.00 0.00 C ATOM 924 CG2 ILE A 62 -0.469 -9.747 -0.487 1.00 0.00 C ATOM 925 CD1 ILE A 62 1.070 -8.449 1.784 1.00 0.00 C ATOM 0 H ILE A 62 3.516 -9.269 0.423 1.00 0.00 H new ATOM 0 HA ILE A 62 1.316 -11.258 0.104 1.00 0.00 H new ATOM 0 HB ILE A 62 1.157 -8.976 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.313 -7.768 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.639 -7.264 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.126 -8.905 -0.706 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.654 -10.547 -1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.668 -10.110 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.287 -7.578 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.035 -8.754 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.735 -9.266 2.064 1.00 0.00 H new ATOM 937 N ALA A 63 1.852 -11.432 -2.489 1.00 0.00 N ATOM 938 CA ALA A 63 2.390 -11.979 -3.723 1.00 0.00 C ATOM 939 C ALA A 63 2.336 -10.910 -4.817 1.00 0.00 C ATOM 940 O ALA A 63 1.348 -10.188 -4.934 1.00 0.00 O ATOM 941 CB ALA A 63 1.614 -13.242 -4.103 1.00 0.00 C ATOM 0 H ALA A 63 0.833 -11.409 -2.441 1.00 0.00 H new ATOM 0 HA ALA A 63 3.434 -12.264 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.018 -13.652 -5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.709 -13.981 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.562 -12.994 -4.244 1.00 0.00 H new ATOM 947 N ARG A 64 3.410 -10.844 -5.589 1.00 0.00 N ATOM 948 CA ARG A 64 3.497 -9.876 -6.668 1.00 0.00 C ATOM 949 C ARG A 64 2.287 -10.005 -7.596 1.00 0.00 C ATOM 950 O ARG A 64 1.950 -9.067 -8.317 1.00 0.00 O ATOM 951 CB ARG A 64 4.778 -10.073 -7.483 1.00 0.00 C ATOM 952 CG ARG A 64 5.977 -9.431 -6.783 1.00 0.00 C ATOM 953 CD ARG A 64 5.973 -7.912 -6.972 1.00 0.00 C ATOM 954 NE ARG A 64 7.139 -7.501 -7.786 1.00 0.00 N ATOM 955 CZ ARG A 64 7.126 -7.404 -9.121 1.00 0.00 C ATOM 956 NH1 ARG A 64 6.008 -7.689 -9.804 1.00 0.00 N ATOM 957 NH2 ARG A 64 8.231 -7.023 -9.777 1.00 0.00 N ATOM 0 H ARG A 64 4.228 -11.445 -5.489 1.00 0.00 H new ATOM 0 HA ARG A 64 3.513 -8.882 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.963 -11.138 -7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.654 -9.636 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.952 -9.669 -5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.902 -9.848 -7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.050 -7.600 -7.461 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.003 -7.416 -6.002 1.00 0.00 H new ATOM 0 HE ARG A 64 8.007 -7.278 -7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.167 -7.980 -9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.999 -7.615 -10.821 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.083 -6.807 -9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.220 -6.949 -10.794 1.00 0.00 H new ATOM 971 N LYS A 65 1.667 -11.175 -7.548 1.00 0.00 N ATOM 972 CA LYS A 65 0.501 -11.438 -8.375 1.00 0.00 C ATOM 973 C LYS A 65 -0.708 -10.703 -7.792 1.00 0.00 C ATOM 974 O LYS A 65 -1.642 -10.365 -8.518 1.00 0.00 O ATOM 975 CB LYS A 65 0.286 -12.945 -8.534 1.00 0.00 C ATOM 976 CG LYS A 65 -0.201 -13.571 -7.226 1.00 0.00 C ATOM 977 CD LYS A 65 -0.105 -15.097 -7.279 1.00 0.00 C ATOM 978 CE LYS A 65 -0.824 -15.733 -6.088 1.00 0.00 C ATOM 979 NZ LYS A 65 -0.196 -17.026 -5.734 1.00 0.00 N ATOM 0 H LYS A 65 1.950 -11.951 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 65 0.654 -11.053 -9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.442 -13.131 -9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.218 -13.418 -8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.395 -13.194 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.233 -13.274 -7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.542 -15.460 -8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.942 -15.399 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.789 -15.059 -5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.876 -15.887 -6.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.696 -17.444 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.251 -17.673 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.801 -16.870 -5.483 1.00 0.00 H new ATOM 993 N ASP A 66 -0.652 -10.478 -6.488 1.00 0.00 N ATOM 994 CA ASP A 66 -1.732 -9.790 -5.801 1.00 0.00 C ATOM 995 C ASP A 66 -1.534 -8.279 -5.935 1.00 0.00 C ATOM 996 O ASP A 66 -2.482 -7.509 -5.785 1.00 0.00 O ATOM 997 CB ASP A 66 -1.743 -10.134 -4.309 1.00 0.00 C ATOM 998 CG ASP A 66 -1.327 -11.567 -3.973 1.00 0.00 C ATOM 999 OD1 ASP A 66 -1.584 -12.447 -4.824 1.00 0.00 O ATOM 1000 OD2 ASP A 66 -0.764 -11.752 -2.873 1.00 0.00 O ATOM 0 H ASP A 66 0.124 -10.760 -5.889 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.673 -10.105 -6.251 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.077 -9.447 -3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.746 -9.962 -3.919 1.00 0.00 H new ATOM 1005 N ILE A 67 -0.297 -7.898 -6.218 1.00 0.00 N ATOM 1006 CA ILE A 67 0.037 -6.493 -6.375 1.00 0.00 C ATOM 1007 C ILE A 67 -0.233 -6.067 -7.819 1.00 0.00 C ATOM 1008 O ILE A 67 -0.011 -6.841 -8.749 1.00 0.00 O ATOM 1009 CB ILE A 67 1.472 -6.228 -5.913 1.00 0.00 C ATOM 1010 CG1 ILE A 67 1.762 -6.938 -4.590 1.00 0.00 C ATOM 1011 CG2 ILE A 67 1.753 -4.726 -5.832 1.00 0.00 C ATOM 1012 CD1 ILE A 67 3.193 -6.665 -4.124 1.00 0.00 C ATOM 0 H ILE A 67 0.487 -8.539 -6.343 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.597 -5.877 -5.737 1.00 0.00 H new ATOM 0 HB ILE A 67 2.153 -6.643 -6.656 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.058 -6.600 -3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.613 -8.011 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.779 -4.565 -5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.614 -4.276 -6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.067 -4.265 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.373 -7.181 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.895 -7.026 -4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.331 -5.593 -3.983 1.00 0.00 H new ATOM 1024 N LYS A 68 -0.708 -4.840 -7.962 1.00 0.00 N ATOM 1025 CA LYS A 68 -1.011 -4.302 -9.277 1.00 0.00 C ATOM 1026 C LYS A 68 -1.049 -2.774 -9.202 1.00 0.00 C ATOM 1027 O LYS A 68 -1.563 -2.209 -8.238 1.00 0.00 O ATOM 1028 CB LYS A 68 -2.297 -4.924 -9.827 1.00 0.00 C ATOM 1029 CG LYS A 68 -3.473 -4.679 -8.879 1.00 0.00 C ATOM 1030 CD LYS A 68 -4.334 -3.511 -9.364 1.00 0.00 C ATOM 1031 CE LYS A 68 -5.389 -3.987 -10.365 1.00 0.00 C ATOM 1032 NZ LYS A 68 -6.269 -2.865 -10.764 1.00 0.00 N ATOM 0 H LYS A 68 -0.891 -4.201 -7.188 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.228 -4.567 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.520 -4.501 -10.806 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.156 -5.996 -9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.082 -5.580 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.099 -4.468 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.823 -3.037 -8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.700 -2.756 -9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.901 -4.405 -11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.985 -4.785 -9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.979 -3.205 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.749 -2.484 -9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.698 -2.116 -11.206 1.00 0.00 H new ATOM 1046 N GLU A 69 -0.500 -2.149 -10.234 1.00 0.00 N ATOM 1047 CA GLU A 69 -0.465 -0.698 -10.298 1.00 0.00 C ATOM 1048 C GLU A 69 -1.755 -0.111 -9.722 1.00 0.00 C ATOM 1049 O GLU A 69 -2.822 -0.710 -9.840 1.00 0.00 O ATOM 1050 CB GLU A 69 -0.237 -0.217 -11.731 1.00 0.00 C ATOM 1051 CG GLU A 69 0.432 1.159 -11.748 1.00 0.00 C ATOM 1052 CD GLU A 69 -0.449 2.188 -12.460 1.00 0.00 C ATOM 1053 OE1 GLU A 69 -1.547 2.460 -11.928 1.00 0.00 O ATOM 1054 OE2 GLU A 69 -0.005 2.678 -13.520 1.00 0.00 O ATOM 0 H GLU A 69 -0.076 -2.621 -11.032 1.00 0.00 H new ATOM 0 HA GLU A 69 0.373 -0.348 -9.695 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.386 -0.935 -12.264 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.190 -0.169 -12.258 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.626 1.486 -10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.397 1.092 -12.250 1.00 0.00 H new ATOM 1061 N VAL A 70 -1.614 1.056 -9.110 1.00 0.00 N ATOM 1062 CA VAL A 70 -2.755 1.733 -8.515 1.00 0.00 C ATOM 1063 C VAL A 70 -2.570 3.246 -8.643 1.00 0.00 C ATOM 1064 O VAL A 70 -1.468 3.758 -8.451 1.00 0.00 O ATOM 1065 CB VAL A 70 -2.939 1.273 -7.068 1.00 0.00 C ATOM 1066 CG1 VAL A 70 -1.932 1.959 -6.143 1.00 0.00 C ATOM 1067 CG2 VAL A 70 -4.373 1.516 -6.593 1.00 0.00 C ATOM 0 H VAL A 70 -0.727 1.550 -9.013 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.672 1.473 -9.044 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.751 0.200 -7.031 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.084 1.615 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.919 1.713 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.074 3.039 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.476 1.180 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.601 2.580 -6.653 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.065 0.961 -7.226 1.00 0.00 H new ATOM 1077 N ASP A 71 -3.664 3.918 -8.967 1.00 0.00 N ATOM 1078 CA ASP A 71 -3.635 5.363 -9.123 1.00 0.00 C ATOM 1079 C ASP A 71 -4.216 6.018 -7.869 1.00 0.00 C ATOM 1080 O ASP A 71 -5.412 6.304 -7.809 1.00 0.00 O ATOM 1081 CB ASP A 71 -4.479 5.804 -10.320 1.00 0.00 C ATOM 1082 CG ASP A 71 -3.691 6.438 -11.468 1.00 0.00 C ATOM 1083 OD1 ASP A 71 -2.459 6.564 -11.308 1.00 0.00 O ATOM 1084 OD2 ASP A 71 -4.339 6.782 -12.480 1.00 0.00 O ATOM 0 H ASP A 71 -4.576 3.490 -9.126 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.600 5.665 -9.280 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.018 4.938 -10.704 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.227 6.518 -9.975 1.00 0.00 H new ATOM 1089 N ILE A 72 -3.344 6.238 -6.895 1.00 0.00 N ATOM 1090 CA ILE A 72 -3.756 6.854 -5.646 1.00 0.00 C ATOM 1091 C ILE A 72 -3.865 8.367 -5.840 1.00 0.00 C ATOM 1092 O ILE A 72 -4.783 8.999 -5.320 1.00 0.00 O ATOM 1093 CB ILE A 72 -2.813 6.446 -4.512 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -2.665 4.925 -4.441 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -3.270 7.040 -3.178 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -3.973 4.229 -4.820 1.00 0.00 C ATOM 0 H ILE A 72 -2.353 6.000 -6.947 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.744 6.498 -5.353 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.826 6.856 -4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.869 4.602 -5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.371 4.631 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.583 6.735 -2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.281 8.128 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.273 6.681 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.841 3.149 -4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.761 4.536 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.251 4.506 -5.837 1.00 0.00 H new ATOM 1108 N LEU A 73 -2.916 8.906 -6.592 1.00 0.00 N ATOM 1109 CA LEU A 73 -2.895 10.333 -6.862 1.00 0.00 C ATOM 1110 C LEU A 73 -4.005 10.676 -7.857 1.00 0.00 C ATOM 1111 O LEU A 73 -4.222 11.846 -8.172 1.00 0.00 O ATOM 1112 CB LEU A 73 -1.502 10.771 -7.320 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.626 11.439 -6.258 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.622 12.060 -6.887 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -1.428 12.461 -5.449 1.00 0.00 C ATOM 0 H LEU A 73 -2.156 8.379 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.098 10.896 -5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.974 9.896 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.616 11.462 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.288 10.671 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.227 12.528 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.205 11.283 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.325 12.812 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.782 12.921 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.815 13.231 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.259 11.960 -4.952 1.00 0.00 H new ATOM 1127 N ASN A 74 -4.679 9.636 -8.325 1.00 0.00 N ATOM 1128 CA ASN A 74 -5.762 9.813 -9.277 1.00 0.00 C ATOM 1129 C ASN A 74 -7.094 9.507 -8.591 1.00 0.00 C ATOM 1130 O ASN A 74 -8.121 9.368 -9.255 1.00 0.00 O ATOM 1131 CB ASN A 74 -5.612 8.860 -10.464 1.00 0.00 C ATOM 1132 CG ASN A 74 -5.738 9.611 -11.791 1.00 0.00 C ATOM 1133 OD1 ASN A 74 -6.821 9.844 -12.302 1.00 0.00 O ATOM 1134 ND2 ASN A 74 -4.574 9.978 -12.318 1.00 0.00 N ATOM 0 H ASN A 74 -4.496 8.667 -8.063 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.732 10.842 -9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.644 8.362 -10.415 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.374 8.082 -10.409 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.552 10.486 -13.202 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.703 9.751 -11.838 1.00 0.00 H new ATOM 1141 N LEU A 75 -7.036 9.412 -7.271 1.00 0.00 N ATOM 1142 CA LEU A 75 -8.225 9.124 -6.487 1.00 0.00 C ATOM 1143 C LEU A 75 -8.918 10.439 -6.121 1.00 0.00 C ATOM 1144 O LEU A 75 -8.285 11.492 -6.093 1.00 0.00 O ATOM 1145 CB LEU A 75 -7.873 8.257 -5.276 1.00 0.00 C ATOM 1146 CG LEU A 75 -7.724 6.759 -5.547 1.00 0.00 C ATOM 1147 CD1 LEU A 75 -7.315 6.011 -4.276 1.00 0.00 C ATOM 1148 CD2 LEU A 75 -8.999 6.183 -6.164 1.00 0.00 C ATOM 0 H LEU A 75 -6.183 9.530 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.935 8.539 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.939 8.624 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.645 8.394 -4.519 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.924 6.622 -6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.216 4.948 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.361 6.398 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.076 6.154 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.865 5.117 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.834 6.332 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.208 6.689 -7.107 1.00 0.00 H new ATOM 1160 N PRO A 76 -10.245 10.330 -5.844 1.00 0.00 N ATOM 1161 CA PRO A 76 -11.032 11.497 -5.481 1.00 0.00 C ATOM 1162 C PRO A 76 -10.732 11.936 -4.046 1.00 0.00 C ATOM 1163 O PRO A 76 -10.421 11.107 -3.192 1.00 0.00 O ATOM 1164 CB PRO A 76 -12.478 11.075 -5.684 1.00 0.00 C ATOM 1165 CG PRO A 76 -12.470 9.555 -5.704 1.00 0.00 C ATOM 1166 CD PRO A 76 -11.029 9.099 -5.868 1.00 0.00 C ATOM 0 HA PRO A 76 -10.797 12.369 -6.091 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.111 11.452 -4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.874 11.476 -6.617 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.893 9.159 -4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.084 9.181 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.733 8.425 -5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.889 8.559 -6.804 1.00 0.00 H new ATOM 1174 N GLU A 77 -10.836 13.238 -3.825 1.00 0.00 N ATOM 1175 CA GLU A 77 -10.581 13.797 -2.509 1.00 0.00 C ATOM 1176 C GLU A 77 -11.451 13.104 -1.460 1.00 0.00 C ATOM 1177 O GLU A 77 -11.145 13.143 -0.269 1.00 0.00 O ATOM 1178 CB GLU A 77 -10.812 15.309 -2.501 1.00 0.00 C ATOM 1179 CG GLU A 77 -9.683 16.033 -1.764 1.00 0.00 C ATOM 1180 CD GLU A 77 -10.168 16.581 -0.421 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -10.916 17.582 -0.454 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -9.779 15.988 0.608 1.00 0.00 O ATOM 0 H GLU A 77 -11.094 13.922 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.535 13.621 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.876 15.676 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.765 15.532 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.851 15.347 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.307 16.850 -2.380 1.00 0.00 H new ATOM 1189 N SER A 78 -12.520 12.484 -1.939 1.00 0.00 N ATOM 1190 CA SER A 78 -13.437 11.782 -1.057 1.00 0.00 C ATOM 1191 C SER A 78 -12.721 10.611 -0.382 1.00 0.00 C ATOM 1192 O SER A 78 -12.598 10.576 0.841 1.00 0.00 O ATOM 1193 CB SER A 78 -14.665 11.284 -1.822 1.00 0.00 C ATOM 1194 OG SER A 78 -15.868 11.475 -1.083 1.00 0.00 O ATOM 0 H SER A 78 -12.771 12.453 -2.927 1.00 0.00 H new ATOM 0 HA SER A 78 -13.778 12.480 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.737 11.810 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.545 10.225 -2.051 1.00 0.00 H new ATOM 0 HG SER A 78 -16.629 11.146 -1.606 1.00 0.00 H new ATOM 1200 N GLU A 79 -12.268 9.680 -1.209 1.00 0.00 N ATOM 1201 CA GLU A 79 -11.568 8.510 -0.707 1.00 0.00 C ATOM 1202 C GLU A 79 -10.418 8.932 0.209 1.00 0.00 C ATOM 1203 O GLU A 79 -10.378 8.550 1.378 1.00 0.00 O ATOM 1204 CB GLU A 79 -11.060 7.639 -1.858 1.00 0.00 C ATOM 1205 CG GLU A 79 -12.200 6.824 -2.473 1.00 0.00 C ATOM 1206 CD GLU A 79 -11.771 5.373 -2.707 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -10.796 5.184 -3.465 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -12.431 4.486 -2.122 1.00 0.00 O ATOM 0 H GLU A 79 -12.372 9.712 -2.223 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.270 7.913 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.605 8.269 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.283 6.967 -1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.067 6.849 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.505 7.274 -3.418 1.00 0.00 H new ATOM 1215 N LEU A 80 -9.510 9.715 -0.355 1.00 0.00 N ATOM 1216 CA LEU A 80 -8.363 10.194 0.396 1.00 0.00 C ATOM 1217 C LEU A 80 -8.831 10.720 1.754 1.00 0.00 C ATOM 1218 O LEU A 80 -8.339 10.288 2.795 1.00 0.00 O ATOM 1219 CB LEU A 80 -7.575 11.219 -0.422 1.00 0.00 C ATOM 1220 CG LEU A 80 -7.210 10.801 -1.847 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -6.425 11.904 -2.558 1.00 0.00 C ATOM 1222 CD2 LEU A 80 -6.459 9.468 -1.853 1.00 0.00 C ATOM 0 H LEU A 80 -9.546 10.030 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.669 9.377 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.157 12.139 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.655 11.452 0.114 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.134 10.652 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.178 11.581 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.030 12.809 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.506 12.109 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.212 9.194 -2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.542 9.564 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.088 8.694 -1.413 1.00 0.00 H new ATOM 1234 N SER A 81 -9.778 11.645 1.700 1.00 0.00 N ATOM 1235 CA SER A 81 -10.319 12.236 2.912 1.00 0.00 C ATOM 1236 C SER A 81 -10.707 11.135 3.902 1.00 0.00 C ATOM 1237 O SER A 81 -10.553 11.299 5.111 1.00 0.00 O ATOM 1238 CB SER A 81 -11.527 13.122 2.603 1.00 0.00 C ATOM 1239 OG SER A 81 -12.034 13.761 3.771 1.00 0.00 O ATOM 0 H SER A 81 -10.185 12.000 0.835 1.00 0.00 H new ATOM 0 HA SER A 81 -9.549 12.864 3.359 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.244 13.878 1.870 1.00 0.00 H new ATOM 0 HB3 SER A 81 -12.313 12.518 2.150 1.00 0.00 H new ATOM 0 HG SER A 81 -12.803 14.318 3.531 1.00 0.00 H new ATOM 1245 N THR A 82 -11.205 10.037 3.351 1.00 0.00 N ATOM 1246 CA THR A 82 -11.615 8.910 4.170 1.00 0.00 C ATOM 1247 C THR A 82 -10.483 7.888 4.279 1.00 0.00 C ATOM 1248 O THR A 82 -9.702 7.919 5.229 1.00 0.00 O ATOM 1249 CB THR A 82 -12.899 8.332 3.568 1.00 0.00 C ATOM 1250 OG1 THR A 82 -12.536 7.998 2.231 1.00 0.00 O ATOM 1251 CG2 THR A 82 -13.995 9.387 3.405 1.00 0.00 C ATOM 0 H THR A 82 -11.333 9.905 2.348 1.00 0.00 H new ATOM 0 HA THR A 82 -11.828 9.222 5.193 1.00 0.00 H new ATOM 0 HB THR A 82 -13.265 7.523 4.201 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.652 8.370 2.030 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.883 8.925 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.241 9.809 4.379 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.642 10.179 2.745 1.00 0.00 H new ATOM 1259 N LYS A 83 -10.428 7.005 3.292 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.403 5.975 3.265 1.00 0.00 C ATOM 1261 C LYS A 83 -8.092 6.553 3.802 1.00 0.00 C ATOM 1262 O LYS A 83 -7.491 7.425 3.178 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.282 5.376 1.863 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.979 4.017 1.785 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.500 4.179 1.810 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.128 3.291 2.887 1.00 0.00 C ATOM 1267 NZ LYS A 83 -13.600 3.452 2.897 1.00 0.00 N ATOM 0 H LYS A 83 -11.077 6.982 2.505 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.678 5.146 3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.722 6.056 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.230 5.265 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.679 3.502 0.872 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.662 3.393 2.621 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.755 5.222 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.913 3.921 0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.871 2.248 2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.721 3.551 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.011 2.843 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.839 4.444 3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.985 3.182 1.969 1.00 0.00 H new ATOM 1281 N PRO A 84 -7.676 6.029 4.987 1.00 0.00 N ATOM 1282 CA PRO A 84 -6.447 6.483 5.615 1.00 0.00 C ATOM 1283 C PRO A 84 -5.221 5.918 4.894 1.00 0.00 C ATOM 1284 O PRO A 84 -4.163 6.544 4.879 1.00 0.00 O ATOM 1285 CB PRO A 84 -6.550 6.022 7.061 1.00 0.00 C ATOM 1286 CG PRO A 84 -7.610 4.932 7.076 1.00 0.00 C ATOM 1287 CD PRO A 84 -8.361 4.994 5.755 1.00 0.00 C ATOM 0 HA PRO A 84 -6.323 7.565 5.563 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.593 5.641 7.419 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.829 6.848 7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.149 3.953 7.208 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.295 5.077 7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.334 4.034 5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.411 5.244 5.908 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.406 4.740 4.316 1.00 0.00 N ATOM 1296 CA GLY A 85 -4.327 4.084 3.596 1.00 0.00 C ATOM 1297 C GLY A 85 -3.991 4.837 2.307 1.00 0.00 C ATOM 1298 O GLY A 85 -2.825 5.123 2.037 1.00 0.00 O ATOM 0 H GLY A 85 -6.285 4.223 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.442 4.029 4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.613 3.059 3.359 1.00 0.00 H new ATOM 1302 N LEU A 86 -5.033 5.135 1.544 1.00 0.00 N ATOM 1303 CA LEU A 86 -4.862 5.850 0.291 1.00 0.00 C ATOM 1304 C LEU A 86 -4.126 7.165 0.554 1.00 0.00 C ATOM 1305 O LEU A 86 -3.039 7.389 0.025 1.00 0.00 O ATOM 1306 CB LEU A 86 -6.209 6.029 -0.411 1.00 0.00 C ATOM 1307 CG LEU A 86 -6.932 4.742 -0.813 1.00 0.00 C ATOM 1308 CD1 LEU A 86 -8.357 5.039 -1.286 1.00 0.00 C ATOM 1309 CD2 LEU A 86 -6.131 3.966 -1.859 1.00 0.00 C ATOM 0 H LEU A 86 -5.998 4.894 1.770 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.244 5.272 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.865 6.601 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.052 6.629 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.011 4.105 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.849 4.108 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.915 5.517 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.323 5.705 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.668 3.056 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.998 4.584 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.155 3.705 -1.450 1.00 0.00 H new ATOM 1321 N GLN A 87 -4.749 8.001 1.372 1.00 0.00 N ATOM 1322 CA GLN A 87 -4.166 9.288 1.713 1.00 0.00 C ATOM 1323 C GLN A 87 -2.647 9.167 1.838 1.00 0.00 C ATOM 1324 O GLN A 87 -1.909 9.639 0.975 1.00 0.00 O ATOM 1325 CB GLN A 87 -4.781 9.845 2.999 1.00 0.00 C ATOM 1326 CG GLN A 87 -4.314 11.280 3.252 1.00 0.00 C ATOM 1327 CD GLN A 87 -5.500 12.244 3.291 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -6.347 12.193 4.169 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -5.516 13.123 2.293 1.00 0.00 N ATOM 0 H GLN A 87 -5.651 7.812 1.808 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.389 9.990 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.868 9.820 2.927 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.503 9.214 3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.771 11.328 4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.620 11.584 2.468 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.776 13.111 1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.268 13.809 2.230 1.00 0.00 H new ATOM 1338 N LYS A 88 -2.224 8.531 2.922 1.00 0.00 N ATOM 1339 CA LYS A 88 -0.805 8.341 3.172 1.00 0.00 C ATOM 1340 C LYS A 88 -0.108 7.962 1.865 1.00 0.00 C ATOM 1341 O LYS A 88 0.809 8.654 1.423 1.00 0.00 O ATOM 1342 CB LYS A 88 -0.591 7.328 4.299 1.00 0.00 C ATOM 1343 CG LYS A 88 -0.327 8.036 5.629 1.00 0.00 C ATOM 1344 CD LYS A 88 -0.764 7.166 6.809 1.00 0.00 C ATOM 1345 CE LYS A 88 -2.031 7.723 7.463 1.00 0.00 C ATOM 1346 NZ LYS A 88 -2.426 6.891 8.621 1.00 0.00 N ATOM 0 H LYS A 88 -2.839 8.141 3.636 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.351 9.270 3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.470 6.690 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.250 6.679 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.734 8.268 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.864 8.984 5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.945 6.147 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.038 7.117 7.546 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.859 8.749 7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.841 7.751 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.287 7.283 9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.610 5.918 8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.658 6.886 9.323 1.00 0.00 H new ATOM 1360 N ALA A 89 -0.567 6.866 1.280 1.00 0.00 N ATOM 1361 CA ALA A 89 0.001 6.388 0.032 1.00 0.00 C ATOM 1362 C ALA A 89 0.115 7.554 -0.952 1.00 0.00 C ATOM 1363 O ALA A 89 1.174 7.773 -1.540 1.00 0.00 O ATOM 1364 CB ALA A 89 -0.857 5.245 -0.516 1.00 0.00 C ATOM 0 H ALA A 89 -1.327 6.294 1.648 1.00 0.00 H new ATOM 0 HA ALA A 89 1.004 5.994 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.430 4.887 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.882 4.430 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.871 5.604 -0.693 1.00 0.00 H new ATOM 1370 N SER A 90 -0.988 8.271 -1.100 1.00 0.00 N ATOM 1371 CA SER A 90 -1.025 9.410 -2.002 1.00 0.00 C ATOM 1372 C SER A 90 0.022 10.444 -1.583 1.00 0.00 C ATOM 1373 O SER A 90 0.771 10.947 -2.418 1.00 0.00 O ATOM 1374 CB SER A 90 -2.417 10.047 -2.030 1.00 0.00 C ATOM 1375 OG SER A 90 -3.259 9.533 -1.002 1.00 0.00 O ATOM 0 H SER A 90 -1.864 8.086 -0.611 1.00 0.00 H new ATOM 0 HA SER A 90 -0.796 9.056 -3.007 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.324 11.127 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.879 9.867 -3.001 1.00 0.00 H new ATOM 0 HG SER A 90 -3.422 8.579 -1.159 1.00 0.00 H new ATOM 1381 N ILE A 91 0.041 10.730 -0.289 1.00 0.00 N ATOM 1382 CA ILE A 91 0.984 11.694 0.251 1.00 0.00 C ATOM 1383 C ILE A 91 2.388 11.373 -0.266 1.00 0.00 C ATOM 1384 O ILE A 91 3.103 12.261 -0.725 1.00 0.00 O ATOM 1385 CB ILE A 91 0.885 11.743 1.776 1.00 0.00 C ATOM 1386 CG1 ILE A 91 -0.419 12.408 2.222 1.00 0.00 C ATOM 1387 CG2 ILE A 91 2.113 12.427 2.383 1.00 0.00 C ATOM 1388 CD1 ILE A 91 -0.385 12.737 3.715 1.00 0.00 C ATOM 0 H ILE A 91 -0.582 10.311 0.401 1.00 0.00 H new ATOM 0 HA ILE A 91 0.741 12.699 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 91 0.867 10.719 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.580 13.321 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.259 11.746 2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.018 12.449 3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.011 11.873 2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.186 13.447 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.324 13.209 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.248 11.819 4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.441 13.418 3.919 1.00 0.00 H new ATOM 1400 N PHE A 92 2.740 10.099 -0.173 1.00 0.00 N ATOM 1401 CA PHE A 92 4.045 9.649 -0.625 1.00 0.00 C ATOM 1402 C PHE A 92 4.176 9.782 -2.143 1.00 0.00 C ATOM 1403 O PHE A 92 5.276 9.687 -2.686 1.00 0.00 O ATOM 1404 CB PHE A 92 4.166 8.171 -0.243 1.00 0.00 C ATOM 1405 CG PHE A 92 5.457 7.508 -0.724 1.00 0.00 C ATOM 1406 CD1 PHE A 92 6.644 7.824 -0.137 1.00 0.00 C ATOM 1407 CD2 PHE A 92 5.420 6.603 -1.738 1.00 0.00 C ATOM 1408 CE1 PHE A 92 7.843 7.207 -0.584 1.00 0.00 C ATOM 1409 CE2 PHE A 92 6.619 5.987 -2.185 1.00 0.00 C ATOM 1410 CZ PHE A 92 7.805 6.302 -1.598 1.00 0.00 C ATOM 0 H PHE A 92 2.144 9.364 0.209 1.00 0.00 H new ATOM 0 HA PHE A 92 4.826 10.254 -0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.105 8.081 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.315 7.629 -0.656 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.674 8.543 0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.478 6.352 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.785 7.457 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.589 5.269 -2.991 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.717 5.833 -1.938 1.00 0.00 H new ATOM 1420 N LEU A 93 3.039 10.003 -2.786 1.00 0.00 N ATOM 1421 CA LEU A 93 3.012 10.151 -4.232 1.00 0.00 C ATOM 1422 C LEU A 93 3.107 11.635 -4.590 1.00 0.00 C ATOM 1423 O LEU A 93 3.272 11.987 -5.756 1.00 0.00 O ATOM 1424 CB LEU A 93 1.785 9.453 -4.819 1.00 0.00 C ATOM 1425 CG LEU A 93 1.818 7.923 -4.818 1.00 0.00 C ATOM 1426 CD1 LEU A 93 0.877 7.354 -5.881 1.00 0.00 C ATOM 1427 CD2 LEU A 93 3.248 7.405 -4.981 1.00 0.00 C ATOM 0 H LEU A 93 2.129 10.083 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 93 3.874 9.659 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.906 9.778 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.655 9.793 -5.846 1.00 0.00 H new ATOM 0 HG LEU A 93 1.458 7.574 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.919 6.265 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.142 7.682 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.182 7.709 -6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.243 6.315 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.659 7.762 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.863 7.768 -4.157 1.00 0.00 H new ATOM 1439 N LYS A 94 2.996 12.466 -3.563 1.00 0.00 N ATOM 1440 CA LYS A 94 3.067 13.905 -3.754 1.00 0.00 C ATOM 1441 C LYS A 94 4.316 14.447 -3.058 1.00 0.00 C ATOM 1442 O LYS A 94 5.060 15.237 -3.636 1.00 0.00 O ATOM 1443 CB LYS A 94 1.768 14.571 -3.296 1.00 0.00 C ATOM 1444 CG LYS A 94 0.836 13.555 -2.630 1.00 0.00 C ATOM 1445 CD LYS A 94 -0.328 14.258 -1.928 1.00 0.00 C ATOM 1446 CE LYS A 94 -1.147 15.086 -2.920 1.00 0.00 C ATOM 1447 NZ LYS A 94 -2.595 14.869 -2.704 1.00 0.00 N ATOM 0 H LYS A 94 2.858 12.170 -2.597 1.00 0.00 H new ATOM 0 HA LYS A 94 3.164 14.144 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.995 15.375 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.266 15.024 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.450 12.864 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.396 12.961 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.970 13.518 -1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.056 14.905 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.910 16.144 -2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.880 14.811 -3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.137 15.438 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.819 13.862 -2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.848 15.154 -1.736 1.00 0.00 H new ATOM 1461 N THR A 95 4.507 14.002 -1.824 1.00 0.00 N ATOM 1462 CA THR A 95 5.653 14.433 -1.042 1.00 0.00 C ATOM 1463 C THR A 95 6.886 13.600 -1.399 1.00 0.00 C ATOM 1464 O THR A 95 8.016 14.044 -1.205 1.00 0.00 O ATOM 1465 CB THR A 95 5.272 14.353 0.438 1.00 0.00 C ATOM 1466 OG1 THR A 95 5.194 12.954 0.701 1.00 0.00 O ATOM 1467 CG2 THR A 95 3.855 14.861 0.707 1.00 0.00 C ATOM 0 H THR A 95 3.887 13.347 -1.347 1.00 0.00 H new ATOM 0 HA THR A 95 5.921 15.465 -1.268 1.00 0.00 H new ATOM 0 HB THR A 95 5.983 14.932 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.389 12.586 0.280 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.636 14.782 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.777 15.903 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.140 14.261 0.144 1.00 0.00 H new ATOM 1475 N ARG A 96 6.625 12.407 -1.915 1.00 0.00 N ATOM 1476 CA ARG A 96 7.700 11.509 -2.300 1.00 0.00 C ATOM 1477 C ARG A 96 8.712 11.371 -1.161 1.00 0.00 C ATOM 1478 O ARG A 96 9.919 11.361 -1.395 1.00 0.00 O ATOM 1479 CB ARG A 96 8.418 12.014 -3.553 1.00 0.00 C ATOM 1480 CG ARG A 96 7.416 12.499 -4.602 1.00 0.00 C ATOM 1481 CD ARG A 96 6.667 11.322 -5.230 1.00 0.00 C ATOM 1482 NE ARG A 96 7.520 10.664 -6.245 1.00 0.00 N ATOM 1483 CZ ARG A 96 7.194 9.529 -6.878 1.00 0.00 C ATOM 1484 NH1 ARG A 96 6.032 8.919 -6.604 1.00 0.00 N ATOM 1485 NH2 ARG A 96 8.029 9.003 -7.783 1.00 0.00 N ATOM 0 H ARG A 96 5.686 12.042 -2.075 1.00 0.00 H new ATOM 0 HA ARG A 96 7.257 10.537 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.093 12.827 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.031 11.216 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.704 13.183 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.939 13.058 -5.378 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.387 10.605 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.743 11.672 -5.691 1.00 0.00 H new ATOM 0 HE ARG A 96 8.412 11.102 -6.477 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.396 9.319 -5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.784 8.055 -7.086 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.914 9.466 -7.991 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.780 8.139 -8.265 1.00 0.00 H new ATOM 1499 N VAL A 97 8.182 11.267 0.049 1.00 0.00 N ATOM 1500 CA VAL A 97 9.023 11.130 1.226 1.00 0.00 C ATOM 1501 C VAL A 97 8.179 10.616 2.394 1.00 0.00 C ATOM 1502 O VAL A 97 7.388 11.363 2.968 1.00 0.00 O ATOM 1503 CB VAL A 97 9.719 12.459 1.529 1.00 0.00 C ATOM 1504 CG1 VAL A 97 8.707 13.519 1.970 1.00 0.00 C ATOM 1505 CG2 VAL A 97 10.815 12.277 2.581 1.00 0.00 C ATOM 0 H VAL A 97 7.180 11.275 0.240 1.00 0.00 H new ATOM 0 HA VAL A 97 9.812 10.399 1.049 1.00 0.00 H new ATOM 0 HB VAL A 97 10.191 12.807 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.227 14.454 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.978 13.679 1.175 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.194 13.180 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.293 13.236 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 97 10.375 11.895 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.558 11.570 2.213 1.00 0.00 H new ATOM 1515 N VAL A 98 8.378 9.345 2.712 1.00 0.00 N ATOM 1516 CA VAL A 98 7.645 8.723 3.801 1.00 0.00 C ATOM 1517 C VAL A 98 7.987 9.435 5.112 1.00 0.00 C ATOM 1518 O VAL A 98 8.981 10.155 5.191 1.00 0.00 O ATOM 1519 CB VAL A 98 7.941 7.222 3.842 1.00 0.00 C ATOM 1520 CG1 VAL A 98 6.983 6.451 2.933 1.00 0.00 C ATOM 1521 CG2 VAL A 98 9.398 6.941 3.469 1.00 0.00 C ATOM 0 H VAL A 98 9.036 8.729 2.234 1.00 0.00 H new ATOM 0 HA VAL A 98 6.571 8.825 3.645 1.00 0.00 H new ATOM 0 HB VAL A 98 7.785 6.876 4.864 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.214 5.387 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.957 6.614 3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.094 6.801 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.582 5.867 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.593 7.308 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.058 7.447 4.174 1.00 0.00 H new ATOM 1531 N PRO A 99 7.121 9.203 6.135 1.00 0.00 N ATOM 1532 CA PRO A 99 7.321 9.814 7.438 1.00 0.00 C ATOM 1533 C PRO A 99 8.457 9.126 8.197 1.00 0.00 C ATOM 1534 O PRO A 99 8.758 7.960 7.947 1.00 0.00 O ATOM 1535 CB PRO A 99 5.977 9.693 8.139 1.00 0.00 C ATOM 1536 CG PRO A 99 5.213 8.613 7.392 1.00 0.00 C ATOM 1537 CD PRO A 99 5.932 8.356 6.078 1.00 0.00 C ATOM 0 HA PRO A 99 7.627 10.858 7.372 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.106 9.426 9.188 1.00 0.00 H new ATOM 0 HB3 PRO A 99 5.438 10.640 8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 99 5.165 7.700 7.985 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.186 8.929 7.209 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.199 7.305 5.972 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.303 8.613 5.226 1.00 0.00 H new ATOM 1545 N ASP A 100 9.056 9.876 9.110 1.00 0.00 N ATOM 1546 CA ASP A 100 10.152 9.353 9.907 1.00 0.00 C ATOM 1547 C ASP A 100 9.767 7.977 10.454 1.00 0.00 C ATOM 1548 O ASP A 100 10.595 7.068 10.494 1.00 0.00 O ATOM 1549 CB ASP A 100 10.452 10.267 11.097 1.00 0.00 C ATOM 1550 CG ASP A 100 11.617 11.236 10.891 1.00 0.00 C ATOM 1551 OD1 ASP A 100 12.221 11.173 9.798 1.00 0.00 O ATOM 1552 OD2 ASP A 100 11.876 12.020 11.830 1.00 0.00 O ATOM 0 H ASP A 100 8.803 10.842 9.316 1.00 0.00 H new ATOM 0 HA ASP A 100 11.033 9.290 9.269 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.556 10.844 11.328 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.665 9.647 11.968 1.00 0.00 H new ATOM 1557 N ASN A 101 8.511 7.866 10.860 1.00 0.00 N ATOM 1558 CA ASN A 101 8.007 6.616 11.402 1.00 0.00 C ATOM 1559 C ASN A 101 8.397 5.466 10.470 1.00 0.00 C ATOM 1560 O ASN A 101 8.519 4.323 10.905 1.00 0.00 O ATOM 1561 CB ASN A 101 6.481 6.638 11.512 1.00 0.00 C ATOM 1562 CG ASN A 101 6.039 6.973 12.937 1.00 0.00 C ATOM 1563 OD1 ASN A 101 6.819 6.960 13.876 1.00 0.00 O ATOM 1564 ND2 ASN A 101 4.747 7.272 13.047 1.00 0.00 N ATOM 0 H ASN A 101 7.827 8.622 10.824 1.00 0.00 H new ATOM 0 HA ASN A 101 8.438 6.481 12.394 1.00 0.00 H new ATOM 0 HB2 ASN A 101 6.073 7.374 10.819 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.078 5.668 11.221 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.354 7.509 13.958 1.00 0.00 H new ATOM 0 HD22 ASN A 101 4.150 7.264 12.220 1.00 0.00 H new ATOM 1571 N TRP A 102 8.582 5.812 9.203 1.00 0.00 N ATOM 1572 CA TRP A 102 8.955 4.824 8.205 1.00 0.00 C ATOM 1573 C TRP A 102 10.482 4.795 8.117 1.00 0.00 C ATOM 1574 O TRP A 102 11.102 3.763 8.368 1.00 0.00 O ATOM 1575 CB TRP A 102 8.283 5.119 6.863 1.00 0.00 C ATOM 1576 CG TRP A 102 6.762 4.953 6.877 1.00 0.00 C ATOM 1577 CD1 TRP A 102 5.897 5.364 7.813 1.00 0.00 C ATOM 1578 CD2 TRP A 102 5.959 4.308 5.867 1.00 0.00 C ATOM 1579 NE1 TRP A 102 4.598 5.034 7.480 1.00 0.00 N ATOM 1580 CE2 TRP A 102 4.638 4.372 6.259 1.00 0.00 C ATOM 1581 CE3 TRP A 102 6.335 3.693 4.660 1.00 0.00 C ATOM 1582 CZ2 TRP A 102 3.586 3.839 5.503 1.00 0.00 C ATOM 1583 CZ3 TRP A 102 5.274 3.166 3.915 1.00 0.00 C ATOM 1584 CH2 TRP A 102 3.939 3.221 4.298 1.00 0.00 C ATOM 0 H TRP A 102 8.480 6.762 8.846 1.00 0.00 H new ATOM 0 HA TRP A 102 8.604 3.833 8.493 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.524 6.139 6.565 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.703 4.458 6.105 1.00 0.00 H new ATOM 0 HD1 TRP A 102 6.180 5.887 8.714 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.763 5.239 8.029 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.363 3.632 4.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.559 3.902 5.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.509 2.683 2.978 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.176 2.788 3.668 1.00 0.00 H new