USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 THR OG1 : rot -118:sc= 0.113! USER MOD Set 1.2: A 20 SER OG : rot -169:sc= 1.06 USER MOD Single : A 12 CYS SG : rot 80:sc= -7.32! USER MOD Single : A 13 HIS : no HD1:sc= -0.0661 X(o=-0.066,f=0.0031) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -2.18 K(o=-2.2,f=-1.7) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 56:sc= 0.959 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -51:sc= 0.454 USER MOD Single : A 30 SER OG : rot 180:sc= -0.101 USER MOD Single : A 33 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 149:sc= -0.0816 (180deg=-0.582) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 58:sc= -0.0578! USER MOD Single : A 58 SER OG : rot 61:sc= 0.492 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= 1.15 K(o=1.2,f=-4.1!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.279 K(o=-0.28,f=-1.9) USER MOD Single : A 82 TYR OH : rot 54:sc= 0.00524 USER MOD Single : A 84 TYR OH : rot 30:sc= -1.38 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -5.386 -15.348 -2.557 1.00 0.00 N ATOM 97 CA ILE A 10 -4.087 -14.706 -2.448 1.00 0.00 C ATOM 98 C ILE A 10 -4.192 -13.511 -1.498 1.00 0.00 C ATOM 99 O ILE A 10 -5.289 -13.134 -1.087 1.00 0.00 O ATOM 100 CB ILE A 10 -3.550 -14.345 -3.834 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.034 -14.541 -3.902 1.00 0.00 C ATOM 102 CG2 ILE A 10 -3.963 -12.926 -4.230 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.627 -15.217 -5.213 1.00 0.00 C ATOM 0 HA ILE A 10 -3.357 -15.392 -2.018 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.996 -15.024 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.535 -13.576 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.704 -15.147 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.568 -12.695 -5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.051 -12.855 -4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.565 -12.216 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.545 -15.345 -5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.109 -16.192 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.937 -14.597 -6.054 1.00 0.00 H new ATOM 115 N PHE A 11 -3.037 -12.948 -1.177 1.00 0.00 N ATOM 116 CA PHE A 11 -2.985 -11.803 -0.284 1.00 0.00 C ATOM 117 C PHE A 11 -2.254 -10.629 -0.938 1.00 0.00 C ATOM 118 O PHE A 11 -1.466 -10.822 -1.863 1.00 0.00 O ATOM 119 CB PHE A 11 -2.209 -12.242 0.960 1.00 0.00 C ATOM 120 CG PHE A 11 -3.099 -12.668 2.130 1.00 0.00 C ATOM 121 CD1 PHE A 11 -3.749 -11.728 2.867 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.239 -13.987 2.432 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.575 -12.124 3.953 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.065 -14.382 3.517 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.715 -13.443 4.255 1.00 0.00 C ATOM 0 H PHE A 11 -2.129 -13.263 -1.519 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.996 -11.476 -0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.555 -13.072 0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.568 -11.422 1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.637 -10.681 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.722 -14.733 1.847 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.092 -11.378 4.539 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.177 -15.429 3.756 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.342 -13.744 5.081 1.00 0.00 H new ATOM 135 N CYS A 12 -2.541 -9.439 -0.433 1.00 0.00 N ATOM 136 CA CYS A 12 -1.921 -8.234 -0.957 1.00 0.00 C ATOM 137 C CYS A 12 -1.149 -7.558 0.178 1.00 0.00 C ATOM 138 O CYS A 12 -1.746 -6.929 1.051 1.00 0.00 O ATOM 139 CB CYS A 12 -2.952 -7.294 -1.585 1.00 0.00 C ATOM 140 SG CYS A 12 -2.179 -5.679 -1.962 1.00 0.00 S ATOM 0 H CYS A 12 -3.195 -9.283 0.334 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.231 -8.497 -1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.352 -7.737 -2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.791 -7.154 -0.904 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.506 -5.768 -3.071 1.00 0.00 H new ATOM 146 N HIS A 13 0.166 -7.710 0.130 1.00 0.00 N ATOM 147 CA HIS A 13 1.025 -7.122 1.144 1.00 0.00 C ATOM 148 C HIS A 13 1.189 -5.625 0.872 1.00 0.00 C ATOM 149 O HIS A 13 1.878 -5.233 -0.068 1.00 0.00 O ATOM 150 CB HIS A 13 2.363 -7.861 1.218 1.00 0.00 C ATOM 151 CG HIS A 13 2.272 -9.236 1.836 1.00 0.00 C ATOM 152 ND1 HIS A 13 2.577 -10.392 1.141 1.00 0.00 N ATOM 153 CD2 HIS A 13 1.907 -9.626 3.092 1.00 0.00 C ATOM 154 CE1 HIS A 13 2.401 -11.426 1.951 1.00 0.00 C ATOM 155 NE2 HIS A 13 1.985 -10.949 3.159 1.00 0.00 N ATOM 0 H HIS A 13 0.658 -8.232 -0.595 1.00 0.00 H new ATOM 0 HA HIS A 13 0.562 -7.230 2.125 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.772 -7.953 0.212 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.067 -7.261 1.795 1.00 0.00 H new ATOM 0 HD2 HIS A 13 1.606 -8.969 3.895 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.559 -12.464 1.699 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.769 -11.516 3.979 1.00 0.00 H new ATOM 163 N VAL A 14 0.544 -4.830 1.713 1.00 0.00 N ATOM 164 CA VAL A 14 0.609 -3.385 1.576 1.00 0.00 C ATOM 165 C VAL A 14 1.349 -2.796 2.779 1.00 0.00 C ATOM 166 O VAL A 14 0.818 -2.773 3.888 1.00 0.00 O ATOM 167 CB VAL A 14 -0.799 -2.812 1.400 1.00 0.00 C ATOM 168 CG1 VAL A 14 -0.889 -1.395 1.970 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.222 -2.840 -0.070 1.00 0.00 C ATOM 0 H VAL A 14 -0.026 -5.159 2.492 1.00 0.00 H new ATOM 0 HA VAL A 14 1.170 -3.111 0.683 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.490 -3.442 1.959 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.900 -1.011 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.650 -1.415 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.181 -0.748 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.226 -2.427 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.526 -2.244 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.216 -3.869 -0.431 1.00 0.00 H new ATOM 179 N TYR A 15 2.563 -2.333 2.518 1.00 0.00 N ATOM 180 CA TYR A 15 3.380 -1.746 3.565 1.00 0.00 C ATOM 181 C TYR A 15 3.018 -0.275 3.784 1.00 0.00 C ATOM 182 O TYR A 15 2.964 0.502 2.832 1.00 0.00 O ATOM 183 CB TYR A 15 4.826 -1.834 3.072 1.00 0.00 C ATOM 184 CG TYR A 15 5.485 -3.193 3.318 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.789 -4.356 3.057 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.776 -3.256 3.802 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.409 -5.634 3.289 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.397 -4.534 4.034 1.00 0.00 C ATOM 189 CZ TYR A 15 6.683 -5.660 3.766 1.00 0.00 C ATOM 190 OH TYR A 15 7.269 -6.868 3.986 1.00 0.00 O ATOM 0 H TYR A 15 3.000 -2.353 1.596 1.00 0.00 H new ATOM 0 HA TYR A 15 3.227 -2.269 4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.849 -1.619 2.004 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.415 -1.061 3.566 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.779 -4.307 2.679 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.321 -2.346 4.007 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.875 -6.551 3.089 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.407 -4.597 4.412 1.00 0.00 H new ATOM 0 HH TYR A 15 8.178 -6.733 4.325 1.00 0.00 H new ATOM 200 N ILE A 16 2.779 0.062 5.043 1.00 0.00 N ATOM 201 CA ILE A 16 2.423 1.425 5.398 1.00 0.00 C ATOM 202 C ILE A 16 3.699 2.231 5.651 1.00 0.00 C ATOM 203 O ILE A 16 3.921 3.263 5.019 1.00 0.00 O ATOM 204 CB ILE A 16 1.447 1.434 6.576 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.296 0.454 6.341 1.00 0.00 C ATOM 206 CG2 ILE A 16 0.944 2.851 6.860 1.00 0.00 C ATOM 207 CD1 ILE A 16 -0.341 0.029 7.666 1.00 0.00 C ATOM 0 H ILE A 16 2.825 -0.586 5.830 1.00 0.00 H new ATOM 0 HA ILE A 16 1.898 1.908 4.574 1.00 0.00 H new ATOM 0 HB ILE A 16 1.981 1.097 7.465 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.457 0.918 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.664 -0.425 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.252 2.830 7.702 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.789 3.496 7.102 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.432 3.239 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.156 -0.668 7.471 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.409 -0.456 8.291 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.730 0.907 8.181 1.00 0.00 H new ATOM 219 N THR A 17 4.504 1.729 6.576 1.00 0.00 N ATOM 220 CA THR A 17 5.752 2.390 6.920 1.00 0.00 C ATOM 221 C THR A 17 6.944 1.516 6.525 1.00 0.00 C ATOM 222 O THR A 17 6.946 0.909 5.455 1.00 0.00 O ATOM 223 CB THR A 17 5.713 2.727 8.412 1.00 0.00 C ATOM 224 OG1 THR A 17 6.062 1.503 9.053 1.00 0.00 O ATOM 225 CG2 THR A 17 4.296 3.017 8.910 1.00 0.00 C ATOM 0 H THR A 17 4.317 0.873 7.098 1.00 0.00 H new ATOM 0 HA THR A 17 5.873 3.320 6.365 1.00 0.00 H new ATOM 0 HB THR A 17 6.350 3.590 8.606 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.314 1.200 9.609 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.325 3.250 9.974 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.885 3.866 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.667 2.142 8.747 1.00 0.00 H new ATOM 233 N GLU A 18 7.930 1.481 7.410 1.00 0.00 N ATOM 234 CA GLU A 18 9.125 0.692 7.167 1.00 0.00 C ATOM 235 C GLU A 18 8.956 -0.718 7.737 1.00 0.00 C ATOM 236 O GLU A 18 9.497 -1.680 7.195 1.00 0.00 O ATOM 237 CB GLU A 18 10.362 1.375 7.754 1.00 0.00 C ATOM 238 CG GLU A 18 11.645 0.695 7.272 1.00 0.00 C ATOM 239 CD GLU A 18 12.049 1.205 5.887 1.00 0.00 C ATOM 240 OE1 GLU A 18 11.127 1.428 5.073 1.00 0.00 O ATOM 241 OE2 GLU A 18 13.271 1.361 5.674 1.00 0.00 O ATOM 0 H GLU A 18 7.925 1.986 8.296 1.00 0.00 H new ATOM 0 HA GLU A 18 9.271 0.612 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.373 2.426 7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.317 1.344 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.450 0.884 7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.498 -0.384 7.237 1.00 0.00 H new ATOM 248 N HIS A 19 8.201 -0.796 8.824 1.00 0.00 N ATOM 249 CA HIS A 19 7.954 -2.072 9.473 1.00 0.00 C ATOM 250 C HIS A 19 6.459 -2.217 9.765 1.00 0.00 C ATOM 251 O HIS A 19 6.075 -2.737 10.811 1.00 0.00 O ATOM 252 CB HIS A 19 8.820 -2.221 10.726 1.00 0.00 C ATOM 253 CG HIS A 19 10.131 -1.475 10.658 1.00 0.00 C ATOM 254 ND1 HIS A 19 10.549 -0.603 11.648 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.112 -1.481 9.711 1.00 0.00 C ATOM 256 CE1 HIS A 19 11.730 -0.112 11.301 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.076 -0.657 10.100 1.00 0.00 N ATOM 0 H HIS A 19 7.753 0.004 9.271 1.00 0.00 H new ATOM 0 HA HIS A 19 8.240 -2.885 8.806 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.256 -1.867 11.589 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.024 -3.279 10.891 1.00 0.00 H new ATOM 0 HD1 HIS A 19 10.035 -0.377 12.500 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.105 -2.059 8.799 1.00 0.00 H new ATOM 0 HE1 HIS A 19 12.315 0.595 11.870 1.00 0.00 H new ATOM 265 N SER A 20 5.656 -1.749 8.821 1.00 0.00 N ATOM 266 CA SER A 20 4.212 -1.821 8.963 1.00 0.00 C ATOM 267 C SER A 20 3.572 -2.199 7.626 1.00 0.00 C ATOM 268 O SER A 20 4.002 -1.730 6.573 1.00 0.00 O ATOM 269 CB SER A 20 3.642 -0.494 9.467 1.00 0.00 C ATOM 270 OG SER A 20 4.549 0.182 10.334 1.00 0.00 O ATOM 0 H SER A 20 5.978 -1.318 7.954 1.00 0.00 H new ATOM 0 HA SER A 20 3.979 -2.590 9.700 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.408 0.146 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.706 -0.678 9.994 1.00 0.00 H new ATOM 0 HG SER A 20 4.089 0.930 10.770 1.00 0.00 H new ATOM 276 N TYR A 21 2.555 -3.045 7.711 1.00 0.00 N ATOM 277 CA TYR A 21 1.852 -3.492 6.520 1.00 0.00 C ATOM 278 C TYR A 21 0.453 -4.004 6.870 1.00 0.00 C ATOM 279 O TYR A 21 0.052 -3.979 8.032 1.00 0.00 O ATOM 280 CB TYR A 21 2.678 -4.647 5.952 1.00 0.00 C ATOM 281 CG TYR A 21 2.392 -5.999 6.609 1.00 0.00 C ATOM 282 CD1 TYR A 21 2.660 -6.185 7.950 1.00 0.00 C ATOM 283 CD2 TYR A 21 1.867 -7.032 5.860 1.00 0.00 C ATOM 284 CE1 TYR A 21 2.391 -7.457 8.568 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.597 -8.305 6.478 1.00 0.00 C ATOM 286 CZ TYR A 21 1.873 -8.454 7.802 1.00 0.00 C ATOM 287 OH TYR A 21 1.619 -9.656 8.386 1.00 0.00 O ATOM 0 H TYR A 21 2.201 -3.432 8.586 1.00 0.00 H new ATOM 0 HA TYR A 21 1.737 -2.672 5.811 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.485 -4.726 4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.737 -4.415 6.068 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.072 -5.376 8.536 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.658 -6.886 4.810 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.596 -7.616 9.616 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.185 -9.122 5.904 1.00 0.00 H new ATOM 0 HH TYR A 21 1.250 -10.272 7.719 1.00 0.00 H new ATOM 297 N VAL A 22 -0.250 -4.456 5.842 1.00 0.00 N ATOM 298 CA VAL A 22 -1.595 -4.974 6.026 1.00 0.00 C ATOM 299 C VAL A 22 -1.805 -6.175 5.102 1.00 0.00 C ATOM 300 O VAL A 22 -1.514 -6.104 3.909 1.00 0.00 O ATOM 301 CB VAL A 22 -2.620 -3.860 5.800 1.00 0.00 C ATOM 302 CG1 VAL A 22 -2.322 -3.095 4.509 1.00 0.00 C ATOM 303 CG2 VAL A 22 -4.044 -4.419 5.790 1.00 0.00 C ATOM 0 H VAL A 22 0.086 -4.474 4.879 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.733 -5.323 7.049 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.542 -3.159 6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.065 -2.309 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.329 -2.649 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.359 -3.781 3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.753 -3.607 5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.142 -5.151 4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.254 -4.898 6.747 1.00 0.00 H new ATOM 313 N SER A 23 -2.310 -7.251 5.689 1.00 0.00 N ATOM 314 CA SER A 23 -2.562 -8.466 4.933 1.00 0.00 C ATOM 315 C SER A 23 -3.997 -8.463 4.402 1.00 0.00 C ATOM 316 O SER A 23 -4.918 -8.902 5.090 1.00 0.00 O ATOM 317 CB SER A 23 -2.317 -9.709 5.791 1.00 0.00 C ATOM 318 OG SER A 23 -3.413 -9.984 6.659 1.00 0.00 O ATOM 0 H SER A 23 -2.551 -7.306 6.679 1.00 0.00 H new ATOM 0 HA SER A 23 -1.869 -8.496 4.092 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.144 -10.568 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.413 -9.568 6.383 1.00 0.00 H new ATOM 0 HG SER A 23 -4.233 -10.078 6.131 1.00 0.00 H new ATOM 324 N VAL A 24 -4.142 -7.965 3.183 1.00 0.00 N ATOM 325 CA VAL A 24 -5.449 -7.899 2.552 1.00 0.00 C ATOM 326 C VAL A 24 -5.621 -9.099 1.619 1.00 0.00 C ATOM 327 O VAL A 24 -4.711 -9.438 0.863 1.00 0.00 O ATOM 328 CB VAL A 24 -5.618 -6.557 1.837 1.00 0.00 C ATOM 329 CG1 VAL A 24 -6.995 -6.457 1.177 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.385 -5.390 2.799 1.00 0.00 C ATOM 0 H VAL A 24 -3.376 -7.603 2.615 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.238 -7.954 3.302 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.865 -6.499 1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.089 -5.494 0.676 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.108 -7.258 0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.770 -6.548 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.511 -4.448 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.104 -5.443 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.374 -5.446 3.201 1.00 0.00 H new ATOM 340 N LYS A 25 -6.793 -9.710 1.702 1.00 0.00 N ATOM 341 CA LYS A 25 -7.096 -10.865 0.874 1.00 0.00 C ATOM 342 C LYS A 25 -7.469 -10.395 -0.534 1.00 0.00 C ATOM 343 O LYS A 25 -8.605 -9.990 -0.776 1.00 0.00 O ATOM 344 CB LYS A 25 -8.167 -11.734 1.536 1.00 0.00 C ATOM 345 CG LYS A 25 -8.036 -13.194 1.101 1.00 0.00 C ATOM 346 CD LYS A 25 -8.578 -14.138 2.176 1.00 0.00 C ATOM 347 CE LYS A 25 -7.908 -15.510 2.091 1.00 0.00 C ATOM 348 NZ LYS A 25 -7.555 -16.001 3.442 1.00 0.00 N ATOM 0 H LYS A 25 -7.545 -9.427 2.330 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.218 -11.503 0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.077 -11.665 2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.157 -11.360 1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.579 -13.349 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.989 -13.426 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.408 -13.707 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.656 -14.248 2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.578 -16.219 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.011 -15.445 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.101 -16.934 3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.898 -15.333 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.417 -16.082 4.018 1.00 0.00 H new ATOM 362 N ALA A 26 -6.491 -10.465 -1.425 1.00 0.00 N ATOM 363 CA ALA A 26 -6.703 -10.051 -2.802 1.00 0.00 C ATOM 364 C ALA A 26 -6.959 -11.287 -3.667 1.00 0.00 C ATOM 365 O ALA A 26 -6.952 -12.411 -3.168 1.00 0.00 O ATOM 366 CB ALA A 26 -5.497 -9.242 -3.283 1.00 0.00 C ATOM 0 H ALA A 26 -5.550 -10.802 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.579 -9.407 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.656 -8.931 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.376 -8.360 -2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.599 -9.857 -3.223 1.00 0.00 H new ATOM 372 N LYS A 27 -7.179 -11.036 -4.949 1.00 0.00 N ATOM 373 CA LYS A 27 -7.437 -12.114 -5.889 1.00 0.00 C ATOM 374 C LYS A 27 -6.318 -12.154 -6.932 1.00 0.00 C ATOM 375 O LYS A 27 -5.425 -11.308 -6.923 1.00 0.00 O ATOM 376 CB LYS A 27 -8.836 -11.976 -6.492 1.00 0.00 C ATOM 377 CG LYS A 27 -9.871 -11.663 -5.410 1.00 0.00 C ATOM 378 CD LYS A 27 -10.077 -12.865 -4.485 1.00 0.00 C ATOM 379 CE LYS A 27 -11.498 -13.418 -4.614 1.00 0.00 C ATOM 380 NZ LYS A 27 -12.071 -13.692 -3.277 1.00 0.00 N ATOM 0 H LYS A 27 -7.184 -10.102 -5.359 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.430 -13.076 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.837 -11.184 -7.241 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.108 -12.899 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.544 -10.802 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.818 -11.391 -5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.356 -13.645 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.890 -12.570 -3.452 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.126 -12.703 -5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.486 -14.333 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.035 -14.067 -3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.480 -14.391 -2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.100 -12.811 -2.725 1.00 0.00 H new ATOM 394 N VAL A 28 -6.404 -13.146 -7.807 1.00 0.00 N ATOM 395 CA VAL A 28 -5.410 -13.307 -8.855 1.00 0.00 C ATOM 396 C VAL A 28 -5.621 -12.231 -9.921 1.00 0.00 C ATOM 397 O VAL A 28 -4.771 -12.038 -10.790 1.00 0.00 O ATOM 398 CB VAL A 28 -5.470 -14.728 -9.419 1.00 0.00 C ATOM 399 CG1 VAL A 28 -6.577 -14.855 -10.468 1.00 0.00 C ATOM 400 CG2 VAL A 28 -4.117 -15.147 -9.996 1.00 0.00 C ATOM 0 H VAL A 28 -7.146 -13.846 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.406 -13.174 -8.453 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.707 -15.404 -8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.598 -15.875 -10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.539 -14.619 -10.012 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.384 -14.162 -11.287 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.188 -16.161 -10.390 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.837 -14.465 -10.798 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.361 -15.115 -9.211 1.00 0.00 H new ATOM 410 N SER A 29 -6.758 -11.558 -9.821 1.00 0.00 N ATOM 411 CA SER A 29 -7.091 -10.506 -10.767 1.00 0.00 C ATOM 412 C SER A 29 -7.865 -9.392 -10.059 1.00 0.00 C ATOM 413 O SER A 29 -8.866 -8.901 -10.578 1.00 0.00 O ATOM 414 CB SER A 29 -7.906 -11.057 -11.939 1.00 0.00 C ATOM 415 OG SER A 29 -8.134 -10.070 -12.940 1.00 0.00 O ATOM 0 H SER A 29 -7.460 -11.721 -9.099 1.00 0.00 H new ATOM 0 HA SER A 29 -6.162 -10.098 -11.166 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.381 -11.905 -12.379 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.863 -11.429 -11.572 1.00 0.00 H new ATOM 0 HG SER A 29 -8.500 -9.262 -12.525 1.00 0.00 H new ATOM 421 N SER A 30 -7.371 -9.026 -8.885 1.00 0.00 N ATOM 422 CA SER A 30 -8.004 -7.979 -8.101 1.00 0.00 C ATOM 423 C SER A 30 -7.284 -6.649 -8.326 1.00 0.00 C ATOM 424 O SER A 30 -6.075 -6.623 -8.551 1.00 0.00 O ATOM 425 CB SER A 30 -8.011 -8.334 -6.613 1.00 0.00 C ATOM 426 OG SER A 30 -8.682 -7.348 -5.832 1.00 0.00 O ATOM 0 H SER A 30 -6.540 -9.436 -8.458 1.00 0.00 H new ATOM 0 HA SER A 30 -9.039 -7.884 -8.429 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.497 -9.300 -6.473 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.985 -8.439 -6.261 1.00 0.00 H new ATOM 0 HG SER A 30 -8.666 -7.612 -4.888 1.00 0.00 H new ATOM 432 N ILE A 31 -8.057 -5.575 -8.258 1.00 0.00 N ATOM 433 CA ILE A 31 -7.508 -4.244 -8.452 1.00 0.00 C ATOM 434 C ILE A 31 -6.949 -3.729 -7.124 1.00 0.00 C ATOM 435 O ILE A 31 -7.223 -4.298 -6.069 1.00 0.00 O ATOM 436 CB ILE A 31 -8.553 -3.319 -9.080 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.858 -3.344 -8.282 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.776 -3.664 -10.554 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.737 -2.141 -8.629 1.00 0.00 C ATOM 0 H ILE A 31 -9.059 -5.600 -8.071 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.678 -4.274 -9.158 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.172 -2.298 -9.042 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.399 -4.267 -8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.636 -3.341 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.523 -2.992 -10.976 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.839 -3.553 -11.099 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.125 -4.693 -10.638 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.658 -2.184 -8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.203 -1.220 -8.395 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.978 -2.161 -9.692 1.00 0.00 H new ATOM 451 N ALA A 32 -6.177 -2.656 -7.220 1.00 0.00 N ATOM 452 CA ALA A 32 -5.578 -2.058 -6.039 1.00 0.00 C ATOM 453 C ALA A 32 -6.682 -1.507 -5.135 1.00 0.00 C ATOM 454 O ALA A 32 -6.639 -1.682 -3.918 1.00 0.00 O ATOM 455 CB ALA A 32 -4.579 -0.979 -6.464 1.00 0.00 C ATOM 0 H ALA A 32 -5.953 -2.186 -8.097 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.027 -2.805 -5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.129 -0.530 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.799 -1.427 -7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.096 -0.210 -7.038 1.00 0.00 H new ATOM 461 N GLN A 33 -7.646 -0.852 -5.765 1.00 0.00 N ATOM 462 CA GLN A 33 -8.761 -0.274 -5.033 1.00 0.00 C ATOM 463 C GLN A 33 -9.321 -1.287 -4.033 1.00 0.00 C ATOM 464 O GLN A 33 -9.609 -0.940 -2.888 1.00 0.00 O ATOM 465 CB GLN A 33 -9.851 0.213 -5.989 1.00 0.00 C ATOM 466 CG GLN A 33 -11.094 0.665 -5.219 1.00 0.00 C ATOM 467 CD GLN A 33 -11.166 2.192 -5.144 1.00 0.00 C ATOM 468 OE1 GLN A 33 -11.958 2.835 -5.814 1.00 0.00 O ATOM 469 NE2 GLN A 33 -10.299 2.733 -4.294 1.00 0.00 N ATOM 0 H GLN A 33 -7.678 -0.709 -6.774 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.397 0.591 -4.479 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.470 1.039 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.118 -0.587 -6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.989 0.278 -5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.074 0.248 -4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.664 2.136 -3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.269 3.745 -4.171 1.00 0.00 H new ATOM 478 N GLU A 34 -9.458 -2.519 -4.500 1.00 0.00 N ATOM 479 CA GLU A 34 -9.979 -3.585 -3.661 1.00 0.00 C ATOM 480 C GLU A 34 -9.128 -3.729 -2.398 1.00 0.00 C ATOM 481 O GLU A 34 -9.609 -4.206 -1.372 1.00 0.00 O ATOM 482 CB GLU A 34 -10.046 -4.905 -4.430 1.00 0.00 C ATOM 483 CG GLU A 34 -11.161 -4.873 -5.478 1.00 0.00 C ATOM 484 CD GLU A 34 -12.235 -5.917 -5.167 1.00 0.00 C ATOM 485 OE1 GLU A 34 -11.846 -7.016 -4.715 1.00 0.00 O ATOM 486 OE2 GLU A 34 -13.422 -5.594 -5.389 1.00 0.00 O ATOM 0 H GLU A 34 -9.217 -2.803 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.995 -3.324 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.090 -5.095 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.219 -5.727 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.611 -3.880 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.742 -5.061 -6.466 1.00 0.00 H new ATOM 493 N ILE A 35 -7.877 -3.307 -2.514 1.00 0.00 N ATOM 494 CA ILE A 35 -6.954 -3.384 -1.394 1.00 0.00 C ATOM 495 C ILE A 35 -6.898 -2.026 -0.692 1.00 0.00 C ATOM 496 O ILE A 35 -7.015 -1.950 0.531 1.00 0.00 O ATOM 497 CB ILE A 35 -5.588 -3.892 -1.859 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.741 -5.062 -2.833 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.702 -4.253 -0.665 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.467 -6.235 -2.172 1.00 0.00 C ATOM 0 H ILE A 35 -7.481 -2.911 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.305 -4.109 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.089 -3.087 -2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.295 -4.737 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.758 -5.385 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.737 -4.611 -1.023 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.553 -3.371 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.184 -5.035 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.562 -7.053 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.898 -6.574 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.459 -5.915 -1.852 1.00 0.00 H new ATOM 512 N LEU A 36 -6.720 -0.987 -1.494 1.00 0.00 N ATOM 513 CA LEU A 36 -6.647 0.364 -0.965 1.00 0.00 C ATOM 514 C LEU A 36 -7.896 0.647 -0.127 1.00 0.00 C ATOM 515 O LEU A 36 -7.808 1.254 0.939 1.00 0.00 O ATOM 516 CB LEU A 36 -6.423 1.371 -2.095 1.00 0.00 C ATOM 517 CG LEU A 36 -6.109 2.805 -1.663 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.660 2.930 -1.188 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.433 3.798 -2.781 1.00 0.00 C ATOM 0 H LEU A 36 -6.624 -1.054 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.788 0.468 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.603 1.012 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.315 1.388 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.748 3.054 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.463 3.959 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.497 2.266 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.986 2.654 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.201 4.810 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.837 3.560 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.492 3.732 -3.030 1.00 0.00 H new ATOM 531 N LYS A 37 -9.030 0.195 -0.642 1.00 0.00 N ATOM 532 CA LYS A 37 -10.295 0.392 0.045 1.00 0.00 C ATOM 533 C LYS A 37 -10.241 -0.297 1.410 1.00 0.00 C ATOM 534 O LYS A 37 -10.847 0.175 2.371 1.00 0.00 O ATOM 535 CB LYS A 37 -11.459 -0.072 -0.833 1.00 0.00 C ATOM 536 CG LYS A 37 -11.379 -1.577 -1.099 1.00 0.00 C ATOM 537 CD LYS A 37 -12.448 -2.331 -0.305 1.00 0.00 C ATOM 538 CE LYS A 37 -12.668 -3.733 -0.877 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.718 -4.445 -0.115 1.00 0.00 N ATOM 0 H LYS A 37 -9.099 -0.307 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.468 1.452 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.404 0.165 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.444 0.469 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.509 -1.769 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.390 -1.946 -0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.146 -2.404 0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.384 -1.774 -0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.956 -3.663 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.737 -4.298 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.855 -5.395 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.428 -4.528 0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.610 -3.913 -0.173 1.00 0.00 H new ATOM 553 N VAL A 38 -9.511 -1.401 1.452 1.00 0.00 N ATOM 554 CA VAL A 38 -9.370 -2.159 2.683 1.00 0.00 C ATOM 555 C VAL A 38 -8.316 -1.494 3.570 1.00 0.00 C ATOM 556 O VAL A 38 -8.619 -1.051 4.676 1.00 0.00 O ATOM 557 CB VAL A 38 -9.047 -3.621 2.364 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.149 -4.491 3.619 1.00 0.00 C ATOM 559 CG2 VAL A 38 -9.954 -4.153 1.253 1.00 0.00 C ATOM 0 H VAL A 38 -9.010 -1.789 0.653 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.308 -2.161 3.239 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.018 -3.667 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.915 -5.525 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.443 -4.133 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.162 -4.436 4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.704 -5.193 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.995 -4.086 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.811 -3.559 0.351 1.00 0.00 H new ATOM 569 N VAL A 39 -7.098 -1.444 3.050 1.00 0.00 N ATOM 570 CA VAL A 39 -5.997 -0.840 3.780 1.00 0.00 C ATOM 571 C VAL A 39 -6.471 0.466 4.422 1.00 0.00 C ATOM 572 O VAL A 39 -6.339 0.651 5.630 1.00 0.00 O ATOM 573 CB VAL A 39 -4.796 -0.647 2.851 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.682 0.134 3.550 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.282 -1.992 2.334 1.00 0.00 C ATOM 0 H VAL A 39 -6.850 -1.812 2.132 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.667 -1.497 4.585 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.127 -0.062 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.841 0.257 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.055 1.114 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.355 -0.412 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.429 -1.827 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.976 -2.613 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.074 -2.496 1.781 1.00 0.00 H new ATOM 585 N ALA A 40 -7.014 1.337 3.584 1.00 0.00 N ATOM 586 CA ALA A 40 -7.509 2.619 4.054 1.00 0.00 C ATOM 587 C ALA A 40 -8.222 2.425 5.394 1.00 0.00 C ATOM 588 O ALA A 40 -8.030 3.209 6.323 1.00 0.00 O ATOM 589 CB ALA A 40 -8.421 3.236 2.992 1.00 0.00 C ATOM 0 H ALA A 40 -7.122 1.180 2.582 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.684 3.312 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.792 4.198 3.345 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.859 3.381 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.263 2.570 2.803 1.00 0.00 H new ATOM 595 N GLU A 41 -9.031 1.377 5.451 1.00 0.00 N ATOM 596 CA GLU A 41 -9.774 1.071 6.661 1.00 0.00 C ATOM 597 C GLU A 41 -8.835 0.516 7.735 1.00 0.00 C ATOM 598 O GLU A 41 -8.929 0.893 8.902 1.00 0.00 O ATOM 599 CB GLU A 41 -10.914 0.093 6.372 1.00 0.00 C ATOM 600 CG GLU A 41 -11.630 0.455 5.069 1.00 0.00 C ATOM 601 CD GLU A 41 -13.108 0.761 5.322 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.367 1.757 6.033 1.00 0.00 O ATOM 603 OE2 GLU A 41 -13.944 -0.007 4.800 1.00 0.00 O ATOM 0 H GLU A 41 -9.188 0.729 4.679 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.217 1.994 7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.520 -0.921 6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.626 0.104 7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.149 1.320 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.542 -0.368 4.360 1.00 0.00 H new ATOM 610 N LYS A 42 -7.951 -0.371 7.301 1.00 0.00 N ATOM 611 CA LYS A 42 -6.996 -0.981 8.210 1.00 0.00 C ATOM 612 C LYS A 42 -6.198 0.116 8.917 1.00 0.00 C ATOM 613 O LYS A 42 -5.654 -0.105 9.998 1.00 0.00 O ATOM 614 CB LYS A 42 -6.123 -1.995 7.469 1.00 0.00 C ATOM 615 CG LYS A 42 -6.440 -3.423 7.917 1.00 0.00 C ATOM 616 CD LYS A 42 -7.874 -3.809 7.545 1.00 0.00 C ATOM 617 CE LYS A 42 -7.888 -4.843 6.417 1.00 0.00 C ATOM 618 NZ LYS A 42 -7.239 -6.098 6.856 1.00 0.00 N ATOM 0 H LYS A 42 -7.876 -0.681 6.332 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.515 -1.547 8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.284 -1.903 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.071 -1.777 7.653 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.740 -4.118 7.452 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.305 -3.508 8.995 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.384 -4.213 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.425 -2.921 7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.915 -5.045 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.370 -4.445 5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.678 -6.905 6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.225 -6.064 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.357 -6.209 7.883 1.00 0.00 H new ATOM 632 N ILE A 43 -6.154 1.276 8.278 1.00 0.00 N ATOM 633 CA ILE A 43 -5.432 2.409 8.833 1.00 0.00 C ATOM 634 C ILE A 43 -6.431 3.485 9.262 1.00 0.00 C ATOM 635 O ILE A 43 -6.093 4.377 10.039 1.00 0.00 O ATOM 636 CB ILE A 43 -4.378 2.909 7.842 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.966 3.961 6.900 1.00 0.00 C ATOM 638 CG2 ILE A 43 -3.747 1.743 7.078 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.874 4.595 6.036 1.00 0.00 C ATOM 0 H ILE A 43 -6.606 1.456 7.382 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.882 2.110 9.726 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.581 3.393 8.406 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.719 3.501 6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.470 4.734 7.481 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.002 2.126 6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.269 1.063 7.783 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.520 1.209 6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.319 5.339 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.135 5.075 6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.389 3.823 5.438 1.00 0.00 H new ATOM 651 N GLN A 44 -7.642 3.365 8.738 1.00 0.00 N ATOM 652 CA GLN A 44 -8.693 4.317 9.058 1.00 0.00 C ATOM 653 C GLN A 44 -8.452 5.639 8.327 1.00 0.00 C ATOM 654 O GLN A 44 -8.333 6.688 8.958 1.00 0.00 O ATOM 655 CB GLN A 44 -8.793 4.536 10.569 1.00 0.00 C ATOM 656 CG GLN A 44 -8.797 3.201 11.317 1.00 0.00 C ATOM 657 CD GLN A 44 -9.235 3.389 12.771 1.00 0.00 C ATOM 658 OE1 GLN A 44 -9.263 4.488 13.301 1.00 0.00 O ATOM 659 NE2 GLN A 44 -9.574 2.259 13.385 1.00 0.00 N ATOM 0 H GLN A 44 -7.919 2.624 8.094 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.644 3.906 8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.955 5.145 10.908 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.703 5.090 10.801 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.469 2.503 10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.800 2.760 11.288 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.528 1.372 12.883 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.880 2.279 14.358 1.00 0.00 H new ATOM 668 N TYR A 45 -8.388 5.545 7.007 1.00 0.00 N ATOM 669 CA TYR A 45 -8.164 6.721 6.183 1.00 0.00 C ATOM 670 C TYR A 45 -9.126 6.750 4.994 1.00 0.00 C ATOM 671 O TYR A 45 -10.162 6.087 5.014 1.00 0.00 O ATOM 672 CB TYR A 45 -6.730 6.604 5.661 1.00 0.00 C ATOM 673 CG TYR A 45 -5.803 7.725 6.133 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.143 7.613 7.340 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.626 8.848 5.351 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.269 8.669 7.783 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.752 9.904 5.794 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.117 9.762 6.988 1.00 0.00 C ATOM 679 OH TYR A 45 -3.292 10.759 7.407 1.00 0.00 O ATOM 0 H TYR A 45 -8.487 4.673 6.488 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.326 7.631 6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.316 5.647 5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.750 6.598 4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.282 6.734 7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.143 8.935 4.407 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.746 8.594 8.725 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.604 10.788 5.192 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.279 11.476 6.739 1.00 0.00 H new ATOM 689 N ALA A 46 -8.749 7.524 3.987 1.00 0.00 N ATOM 690 CA ALA A 46 -9.566 7.647 2.791 1.00 0.00 C ATOM 691 C ALA A 46 -8.825 7.024 1.606 1.00 0.00 C ATOM 692 O ALA A 46 -7.922 7.640 1.041 1.00 0.00 O ATOM 693 CB ALA A 46 -9.908 9.119 2.556 1.00 0.00 C ATOM 0 H ALA A 46 -7.889 8.072 3.974 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.506 7.109 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.521 9.212 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.459 9.506 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.989 9.690 2.428 1.00 0.00 H new ATOM 699 N GLU A 47 -9.233 5.811 1.265 1.00 0.00 N ATOM 700 CA GLU A 47 -8.619 5.098 0.158 1.00 0.00 C ATOM 701 C GLU A 47 -8.404 6.042 -1.027 1.00 0.00 C ATOM 702 O GLU A 47 -7.366 5.992 -1.685 1.00 0.00 O ATOM 703 CB GLU A 47 -9.462 3.889 -0.251 1.00 0.00 C ATOM 704 CG GLU A 47 -10.909 4.299 -0.531 1.00 0.00 C ATOM 705 CD GLU A 47 -11.751 3.090 -0.945 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.666 2.720 -2.136 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.460 2.562 -0.061 1.00 0.00 O ATOM 0 H GLU A 47 -9.982 5.303 1.736 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.647 4.728 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.033 3.426 -1.140 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.439 3.141 0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.339 4.759 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.932 5.050 -1.321 1.00 0.00 H new ATOM 714 N GLU A 48 -9.403 6.881 -1.263 1.00 0.00 N ATOM 715 CA GLU A 48 -9.336 7.835 -2.357 1.00 0.00 C ATOM 716 C GLU A 48 -8.139 8.770 -2.173 1.00 0.00 C ATOM 717 O GLU A 48 -7.464 9.117 -3.141 1.00 0.00 O ATOM 718 CB GLU A 48 -10.639 8.628 -2.472 1.00 0.00 C ATOM 719 CG GLU A 48 -10.965 9.342 -1.159 1.00 0.00 C ATOM 720 CD GLU A 48 -12.471 9.332 -0.888 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.020 8.215 -0.779 1.00 0.00 O ATOM 722 OE2 GLU A 48 -13.038 10.442 -0.796 1.00 0.00 O ATOM 0 H GLU A 48 -10.263 6.920 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.201 7.283 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.554 9.359 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.455 7.956 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.441 8.855 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.606 10.370 -1.202 1.00 0.00 H new ATOM 729 N ASP A 49 -7.913 9.152 -0.925 1.00 0.00 N ATOM 730 CA ASP A 49 -6.809 10.040 -0.602 1.00 0.00 C ATOM 731 C ASP A 49 -5.512 9.231 -0.535 1.00 0.00 C ATOM 732 O ASP A 49 -4.434 9.794 -0.346 1.00 0.00 O ATOM 733 CB ASP A 49 -7.020 10.709 0.758 1.00 0.00 C ATOM 734 CG ASP A 49 -8.225 11.648 0.836 1.00 0.00 C ATOM 735 OD1 ASP A 49 -9.303 11.228 0.365 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.040 12.765 1.367 1.00 0.00 O ATOM 0 H ASP A 49 -8.476 8.863 -0.125 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.755 10.806 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.134 9.932 1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.122 11.272 1.012 1.00 0.00 H new ATOM 741 N LEU A 50 -5.658 7.924 -0.694 1.00 0.00 N ATOM 742 CA LEU A 50 -4.512 7.032 -0.654 1.00 0.00 C ATOM 743 C LEU A 50 -4.208 6.535 -2.069 1.00 0.00 C ATOM 744 O LEU A 50 -4.894 6.904 -3.021 1.00 0.00 O ATOM 745 CB LEU A 50 -4.743 5.907 0.357 1.00 0.00 C ATOM 746 CG LEU A 50 -4.991 6.344 1.802 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.135 5.132 2.724 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.899 7.302 2.280 1.00 0.00 C ATOM 0 H LEU A 50 -6.553 7.461 -0.851 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.627 7.565 -0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.597 5.317 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.875 5.248 0.342 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.934 6.889 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.311 5.470 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.976 4.522 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.221 4.539 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.099 7.597 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.930 6.805 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.888 8.187 1.644 1.00 0.00 H new ATOM 760 N ALA A 51 -3.179 5.706 -2.162 1.00 0.00 N ATOM 761 CA ALA A 51 -2.776 5.155 -3.445 1.00 0.00 C ATOM 762 C ALA A 51 -1.655 4.136 -3.228 1.00 0.00 C ATOM 763 O ALA A 51 -0.762 4.355 -2.410 1.00 0.00 O ATOM 764 CB ALA A 51 -2.358 6.291 -4.380 1.00 0.00 C ATOM 0 H ALA A 51 -2.612 5.402 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.609 4.634 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.056 5.878 -5.342 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.198 6.971 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.522 6.835 -3.940 1.00 0.00 H new ATOM 770 N LEU A 52 -1.738 3.045 -3.974 1.00 0.00 N ATOM 771 CA LEU A 52 -0.742 1.992 -3.874 1.00 0.00 C ATOM 772 C LEU A 52 0.472 2.360 -4.730 1.00 0.00 C ATOM 773 O LEU A 52 0.375 2.427 -5.955 1.00 0.00 O ATOM 774 CB LEU A 52 -1.356 0.637 -4.229 1.00 0.00 C ATOM 775 CG LEU A 52 -2.473 0.144 -3.306 1.00 0.00 C ATOM 776 CD1 LEU A 52 -3.085 -1.155 -3.832 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.971 0.000 -1.868 1.00 0.00 C ATOM 0 H LEU A 52 -2.480 2.867 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.391 1.897 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.749 0.693 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.561 -0.109 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.265 0.893 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.876 -1.484 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.502 -0.985 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.314 -1.924 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.784 -0.352 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.151 -0.718 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.620 0.967 -1.507 1.00 0.00 H new ATOM 789 N VAL A 53 1.587 2.590 -4.052 1.00 0.00 N ATOM 790 CA VAL A 53 2.817 2.950 -4.736 1.00 0.00 C ATOM 791 C VAL A 53 3.837 1.822 -4.568 1.00 0.00 C ATOM 792 O VAL A 53 4.287 1.546 -3.457 1.00 0.00 O ATOM 793 CB VAL A 53 3.327 4.298 -4.221 1.00 0.00 C ATOM 794 CG1 VAL A 53 2.225 5.051 -3.473 1.00 0.00 C ATOM 795 CG2 VAL A 53 4.563 4.115 -3.337 1.00 0.00 C ATOM 0 H VAL A 53 1.664 2.534 -3.036 1.00 0.00 H new ATOM 0 HA VAL A 53 2.639 3.071 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 53 3.618 4.898 -5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.613 6.005 -3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.385 5.229 -4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.890 4.456 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.905 5.088 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.309 3.488 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.356 3.639 -3.914 1.00 0.00 H new ATOM 805 N ALA A 54 4.173 1.200 -5.689 1.00 0.00 N ATOM 806 CA ALA A 54 5.131 0.108 -5.681 1.00 0.00 C ATOM 807 C ALA A 54 6.541 0.671 -5.872 1.00 0.00 C ATOM 808 O ALA A 54 6.723 1.682 -6.548 1.00 0.00 O ATOM 809 CB ALA A 54 4.757 -0.908 -6.762 1.00 0.00 C ATOM 0 H ALA A 54 3.798 1.432 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 54 5.111 -0.413 -4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.476 -1.727 -6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.759 -1.299 -6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.769 -0.422 -7.738 1.00 0.00 H new ATOM 815 N ILE A 55 7.502 -0.009 -5.263 1.00 0.00 N ATOM 816 CA ILE A 55 8.890 0.411 -5.358 1.00 0.00 C ATOM 817 C ILE A 55 9.747 -0.772 -5.813 1.00 0.00 C ATOM 818 O ILE A 55 9.373 -1.927 -5.611 1.00 0.00 O ATOM 819 CB ILE A 55 9.353 1.034 -4.040 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.316 2.026 -3.508 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.734 1.675 -4.191 1.00 0.00 C ATOM 822 CD1 ILE A 55 8.963 3.045 -2.568 1.00 0.00 C ATOM 0 H ILE A 55 7.347 -0.847 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 55 9.000 1.193 -6.110 1.00 0.00 H new ATOM 0 HB ILE A 55 9.447 0.238 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.843 2.545 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.529 1.487 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.039 2.110 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.457 0.916 -4.491 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.692 2.456 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.204 3.738 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.414 2.525 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.732 3.599 -3.106 1.00 0.00 H new ATOM 834 N THR A 56 10.879 -0.445 -6.418 1.00 0.00 N ATOM 835 CA THR A 56 11.791 -1.466 -6.903 1.00 0.00 C ATOM 836 C THR A 56 13.059 -1.499 -6.048 1.00 0.00 C ATOM 837 O THR A 56 13.147 -0.805 -5.036 1.00 0.00 O ATOM 838 CB THR A 56 12.064 -1.192 -8.384 1.00 0.00 C ATOM 839 OG1 THR A 56 12.988 -2.209 -8.760 1.00 0.00 O ATOM 840 CG2 THR A 56 12.834 0.111 -8.606 1.00 0.00 C ATOM 0 H THR A 56 11.186 0.514 -6.583 1.00 0.00 H new ATOM 0 HA THR A 56 11.353 -2.460 -6.817 1.00 0.00 H new ATOM 0 HB THR A 56 11.119 -1.152 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.594 -3.089 -8.586 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.001 0.257 -9.673 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.256 0.947 -8.211 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.794 0.058 -8.092 1.00 0.00 H new ATOM 848 N PHE A 57 14.009 -2.312 -6.485 1.00 0.00 N ATOM 849 CA PHE A 57 15.268 -2.444 -5.772 1.00 0.00 C ATOM 850 C PHE A 57 16.108 -1.172 -5.903 1.00 0.00 C ATOM 851 O PHE A 57 16.662 -0.686 -4.918 1.00 0.00 O ATOM 852 CB PHE A 57 16.024 -3.610 -6.412 1.00 0.00 C ATOM 853 CG PHE A 57 16.741 -3.246 -7.714 1.00 0.00 C ATOM 854 CD1 PHE A 57 18.012 -2.764 -7.679 1.00 0.00 C ATOM 855 CD2 PHE A 57 16.106 -3.406 -8.906 1.00 0.00 C ATOM 856 CE1 PHE A 57 18.676 -2.427 -8.888 1.00 0.00 C ATOM 857 CE2 PHE A 57 16.771 -3.069 -10.115 1.00 0.00 C ATOM 858 CZ PHE A 57 18.042 -2.586 -10.080 1.00 0.00 C ATOM 0 H PHE A 57 13.932 -2.886 -7.324 1.00 0.00 H new ATOM 0 HA PHE A 57 15.080 -2.615 -4.712 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.756 -3.990 -5.700 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.322 -4.420 -6.610 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.516 -2.638 -6.732 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.097 -3.789 -8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.685 -2.044 -8.861 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.267 -3.196 -11.062 1.00 0.00 H new ATOM 0 HZ PHE A 57 18.548 -2.329 -10.999 1.00 0.00 H new ATOM 868 N SER A 58 16.177 -0.671 -7.127 1.00 0.00 N ATOM 869 CA SER A 58 16.941 0.535 -7.400 1.00 0.00 C ATOM 870 C SER A 58 16.563 1.631 -6.401 1.00 0.00 C ATOM 871 O SER A 58 17.398 2.457 -6.035 1.00 0.00 O ATOM 872 CB SER A 58 16.711 1.020 -8.833 1.00 0.00 C ATOM 873 OG SER A 58 17.851 0.800 -9.660 1.00 0.00 O ATOM 0 H SER A 58 15.717 -1.078 -7.941 1.00 0.00 H new ATOM 0 HA SER A 58 18.000 0.302 -7.290 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.850 0.503 -9.257 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.471 2.083 -8.822 1.00 0.00 H new ATOM 0 HG SER A 58 18.046 -0.160 -9.699 1.00 0.00 H new ATOM 879 N GLY A 59 15.304 1.603 -5.989 1.00 0.00 N ATOM 880 CA GLY A 59 14.805 2.584 -5.041 1.00 0.00 C ATOM 881 C GLY A 59 14.072 3.719 -5.759 1.00 0.00 C ATOM 882 O GLY A 59 14.530 4.860 -5.753 1.00 0.00 O ATOM 0 H GLY A 59 14.615 0.916 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.131 2.101 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.635 2.991 -4.463 1.00 0.00 H new ATOM 886 N GLU A 60 12.946 3.365 -6.362 1.00 0.00 N ATOM 887 CA GLU A 60 12.145 4.339 -7.083 1.00 0.00 C ATOM 888 C GLU A 60 10.658 4.118 -6.799 1.00 0.00 C ATOM 889 O GLU A 60 10.169 2.992 -6.872 1.00 0.00 O ATOM 890 CB GLU A 60 12.432 4.280 -8.585 1.00 0.00 C ATOM 891 CG GLU A 60 11.495 3.291 -9.283 1.00 0.00 C ATOM 892 CD GLU A 60 11.867 3.132 -10.759 1.00 0.00 C ATOM 893 OE1 GLU A 60 12.021 4.181 -11.421 1.00 0.00 O ATOM 894 OE2 GLU A 60 11.989 1.966 -11.191 1.00 0.00 O ATOM 0 H GLU A 60 12.570 2.417 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 60 12.417 5.335 -6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.311 5.271 -9.021 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.468 3.984 -8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.546 2.323 -8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.465 3.639 -9.199 1.00 0.00 H new ATOM 901 N LYS A 61 9.980 5.212 -6.482 1.00 0.00 N ATOM 902 CA LYS A 61 8.559 5.152 -6.187 1.00 0.00 C ATOM 903 C LYS A 61 7.774 5.063 -7.497 1.00 0.00 C ATOM 904 O LYS A 61 8.191 5.616 -8.514 1.00 0.00 O ATOM 905 CB LYS A 61 8.145 6.329 -5.301 1.00 0.00 C ATOM 906 CG LYS A 61 8.262 5.967 -3.819 1.00 0.00 C ATOM 907 CD LYS A 61 7.809 7.130 -2.934 1.00 0.00 C ATOM 908 CE LYS A 61 8.806 7.376 -1.800 1.00 0.00 C ATOM 909 NZ LYS A 61 9.536 8.645 -2.018 1.00 0.00 N ATOM 0 H LYS A 61 10.389 6.145 -6.423 1.00 0.00 H new ATOM 0 HA LYS A 61 8.327 4.254 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.774 7.192 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.119 6.617 -5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.656 5.086 -3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.294 5.707 -3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.708 8.033 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.825 6.913 -2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.279 7.412 -0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.513 6.548 -1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.209 8.797 -1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.054 8.597 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.859 9.434 -2.049 1.00 0.00 H new ATOM 923 N HIS A 62 6.651 4.363 -7.431 1.00 0.00 N ATOM 924 CA HIS A 62 5.804 4.194 -8.599 1.00 0.00 C ATOM 925 C HIS A 62 4.348 4.029 -8.158 1.00 0.00 C ATOM 926 O HIS A 62 3.987 3.014 -7.564 1.00 0.00 O ATOM 927 CB HIS A 62 6.296 3.033 -9.464 1.00 0.00 C ATOM 928 CG HIS A 62 6.915 3.461 -10.773 1.00 0.00 C ATOM 929 ND1 HIS A 62 7.960 4.367 -10.848 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.628 3.099 -12.056 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.277 4.535 -12.123 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.450 3.749 -12.870 1.00 0.00 N ATOM 0 H HIS A 62 6.308 3.906 -6.586 1.00 0.00 H new ATOM 0 HA HIS A 62 5.859 5.085 -9.224 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.029 2.457 -8.899 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.458 2.367 -9.671 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.409 4.827 -10.056 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.861 2.401 -12.359 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.054 5.181 -12.504 1.00 0.00 H new ATOM 940 N GLU A 63 3.551 5.042 -8.465 1.00 0.00 N ATOM 941 CA GLU A 63 2.143 5.022 -8.108 1.00 0.00 C ATOM 942 C GLU A 63 1.318 4.399 -9.236 1.00 0.00 C ATOM 943 O GLU A 63 1.383 4.850 -10.379 1.00 0.00 O ATOM 944 CB GLU A 63 1.642 6.428 -7.774 1.00 0.00 C ATOM 945 CG GLU A 63 1.747 6.706 -6.273 1.00 0.00 C ATOM 946 CD GLU A 63 2.874 7.697 -5.977 1.00 0.00 C ATOM 947 OE1 GLU A 63 2.715 8.873 -6.371 1.00 0.00 O ATOM 948 OE2 GLU A 63 3.870 7.257 -5.362 1.00 0.00 O ATOM 0 H GLU A 63 3.854 5.882 -8.957 1.00 0.00 H new ATOM 0 HA GLU A 63 2.023 4.408 -7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.224 7.166 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.606 6.535 -8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.801 7.105 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.928 5.773 -5.739 1.00 0.00 H new ATOM 955 N LEU A 64 0.562 3.373 -8.876 1.00 0.00 N ATOM 956 CA LEU A 64 -0.275 2.684 -9.844 1.00 0.00 C ATOM 957 C LEU A 64 -1.616 3.411 -9.961 1.00 0.00 C ATOM 958 O LEU A 64 -1.654 4.611 -10.227 1.00 0.00 O ATOM 959 CB LEU A 64 -0.407 1.204 -9.480 1.00 0.00 C ATOM 960 CG LEU A 64 0.902 0.418 -9.379 1.00 0.00 C ATOM 961 CD1 LEU A 64 1.798 0.688 -10.590 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.618 0.711 -8.060 1.00 0.00 C ATOM 0 H LEU A 64 0.511 3.002 -7.927 1.00 0.00 H new ATOM 0 HA LEU A 64 0.187 2.706 -10.831 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.926 1.130 -8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.040 0.722 -10.225 1.00 0.00 H new ATOM 0 HG LEU A 64 0.663 -0.645 -9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.722 0.117 -10.494 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.279 0.388 -11.500 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.032 1.751 -10.640 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.545 0.139 -8.014 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.844 1.775 -7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.976 0.427 -7.226 1.00 0.00 H new ATOM 974 N GLN A 65 -2.683 2.653 -9.757 1.00 0.00 N ATOM 975 CA GLN A 65 -4.023 3.209 -9.836 1.00 0.00 C ATOM 976 C GLN A 65 -5.003 2.352 -9.033 1.00 0.00 C ATOM 977 O GLN A 65 -4.649 1.270 -8.568 1.00 0.00 O ATOM 978 CB GLN A 65 -4.476 3.342 -11.292 1.00 0.00 C ATOM 979 CG GLN A 65 -3.762 4.504 -11.985 1.00 0.00 C ATOM 980 CD GLN A 65 -4.671 5.165 -13.023 1.00 0.00 C ATOM 981 OE1 GLN A 65 -4.828 4.695 -14.138 1.00 0.00 O ATOM 982 NE2 GLN A 65 -5.259 6.279 -12.596 1.00 0.00 N ATOM 0 H GLN A 65 -2.647 1.658 -9.537 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.006 4.209 -9.402 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.271 2.414 -11.826 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.554 3.499 -11.328 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.455 5.241 -11.243 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.855 4.142 -12.469 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.084 6.618 -11.650 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.885 6.795 -13.215 1.00 0.00 H new ATOM 991 N PRO A 66 -6.247 2.882 -8.890 1.00 0.00 N ATOM 992 CA PRO A 66 -7.281 2.177 -8.151 1.00 0.00 C ATOM 993 C PRO A 66 -7.835 1.006 -8.965 1.00 0.00 C ATOM 994 O PRO A 66 -8.853 0.420 -8.601 1.00 0.00 O ATOM 995 CB PRO A 66 -8.329 3.232 -7.838 1.00 0.00 C ATOM 996 CG PRO A 66 -8.073 4.375 -8.807 1.00 0.00 C ATOM 997 CD PRO A 66 -6.702 4.161 -9.427 1.00 0.00 C ATOM 0 HA PRO A 66 -6.907 1.722 -7.234 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.335 2.832 -7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.246 3.570 -6.805 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.842 4.400 -9.579 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.112 5.332 -8.287 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.759 4.136 -10.515 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.018 4.967 -9.163 1.00 0.00 H new ATOM 1005 N ASN A 67 -7.140 0.700 -10.051 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.550 -0.390 -10.919 1.00 0.00 C ATOM 1007 C ASN A 67 -6.367 -1.337 -11.135 1.00 0.00 C ATOM 1008 O ASN A 67 -6.543 -2.553 -11.193 1.00 0.00 O ATOM 1009 CB ASN A 67 -7.994 0.132 -12.287 1.00 0.00 C ATOM 1010 CG ASN A 67 -7.271 1.434 -12.638 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -7.613 2.509 -12.173 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -6.255 1.277 -13.482 1.00 0.00 N ATOM 0 H ASN A 67 -6.296 1.188 -10.349 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.384 -0.905 -10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.790 -0.619 -13.050 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.071 0.299 -12.284 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.708 2.086 -13.778 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.023 0.348 -13.833 1.00 0.00 H new ATOM 1019 N ASP A 68 -5.189 -0.743 -11.248 1.00 0.00 N ATOM 1020 CA ASP A 68 -3.977 -1.518 -11.457 1.00 0.00 C ATOM 1021 C ASP A 68 -3.982 -2.726 -10.518 1.00 0.00 C ATOM 1022 O ASP A 68 -4.090 -2.572 -9.303 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.731 -0.685 -11.149 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.931 -0.241 -12.375 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -2.286 0.822 -12.930 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.983 -0.973 -12.730 1.00 0.00 O ATOM 0 H ASP A 68 -5.047 0.266 -11.199 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.952 -1.831 -12.501 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.034 0.201 -10.591 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.077 -1.264 -10.497 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.863 -3.901 -11.118 1.00 0.00 N ATOM 1032 CA LEU A 69 -3.853 -5.135 -10.351 1.00 0.00 C ATOM 1033 C LEU A 69 -2.783 -5.044 -9.260 1.00 0.00 C ATOM 1034 O LEU A 69 -1.747 -4.410 -9.454 1.00 0.00 O ATOM 1035 CB LEU A 69 -3.684 -6.341 -11.277 1.00 0.00 C ATOM 1036 CG LEU A 69 -4.744 -7.437 -11.151 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -6.141 -6.885 -11.441 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -4.405 -8.633 -12.043 1.00 0.00 C ATOM 0 H LEU A 69 -3.773 -4.025 -12.126 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.810 -5.279 -9.850 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.679 -5.985 -12.307 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.707 -6.785 -11.088 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.745 -7.793 -10.121 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.875 -7.685 -11.345 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.373 -6.091 -10.731 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.171 -6.485 -12.455 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.174 -9.397 -11.934 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.359 -8.310 -13.083 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.440 -9.045 -11.748 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.072 -5.685 -8.138 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.148 -5.684 -7.016 1.00 0.00 C ATOM 1052 C VAL A 70 -1.532 -7.077 -6.867 1.00 0.00 C ATOM 1053 O VAL A 70 -1.362 -7.568 -5.753 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.862 -5.208 -5.750 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.378 -3.816 -5.338 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.381 -5.227 -5.937 1.00 0.00 C ATOM 0 H VAL A 70 -3.933 -6.209 -7.981 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.331 -4.984 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.615 -5.901 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.901 -3.501 -4.435 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.306 -3.846 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.581 -3.108 -6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.865 -4.884 -5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.654 -4.568 -6.761 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.707 -6.243 -6.161 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.214 -7.673 -8.007 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.620 -8.999 -8.017 1.00 0.00 C ATOM 1068 C ILE A 71 0.492 -9.047 -9.067 1.00 0.00 C ATOM 1069 O ILE A 71 1.604 -9.488 -8.779 1.00 0.00 O ATOM 1070 CB ILE A 71 -1.698 -10.067 -8.214 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -1.084 -11.468 -8.236 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -2.527 -9.785 -9.469 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -1.914 -12.444 -7.399 1.00 0.00 C ATOM 0 H ILE A 71 -1.356 -7.262 -8.930 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.159 -9.217 -7.054 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.378 -10.027 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.023 -11.826 -9.264 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.065 -11.428 -7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.286 -10.559 -9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.012 -8.813 -9.374 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.875 -9.782 -10.343 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.456 -13.432 -7.432 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.953 -12.096 -6.367 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.925 -12.500 -7.802 1.00 0.00 H new ATOM 1191 N ARG A 80 7.317 -4.866 -2.575 1.00 0.00 N ATOM 1192 CA ARG A 80 6.294 -4.603 -1.578 1.00 0.00 C ATOM 1193 C ARG A 80 5.521 -3.331 -1.934 1.00 0.00 C ATOM 1194 O ARG A 80 6.115 -2.266 -2.103 1.00 0.00 O ATOM 1195 CB ARG A 80 6.909 -4.445 -0.186 1.00 0.00 C ATOM 1196 CG ARG A 80 7.247 -5.808 0.421 1.00 0.00 C ATOM 1197 CD ARG A 80 8.755 -5.952 0.637 1.00 0.00 C ATOM 1198 NE ARG A 80 9.142 -7.379 0.566 1.00 0.00 N ATOM 1199 CZ ARG A 80 10.375 -7.837 0.823 1.00 0.00 C ATOM 1200 NH1 ARG A 80 11.348 -6.983 1.169 1.00 0.00 N ATOM 1201 NH2 ARG A 80 10.635 -9.148 0.735 1.00 0.00 N ATOM 0 HA ARG A 80 5.614 -5.455 -1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.812 -3.837 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.214 -3.915 0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.727 -5.926 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.893 -6.601 -0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.295 -5.382 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.033 -5.539 1.607 1.00 0.00 H new ATOM 0 HE ARG A 80 8.425 -8.056 0.305 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.150 -5.985 1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.287 -7.331 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.894 -9.798 0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.574 -9.496 0.931 1.00 0.00 H new ATOM 1215 N ILE A 81 4.209 -3.483 -2.039 1.00 0.00 N ATOM 1216 CA ILE A 81 3.350 -2.360 -2.372 1.00 0.00 C ATOM 1217 C ILE A 81 3.186 -1.466 -1.141 1.00 0.00 C ATOM 1218 O ILE A 81 3.031 -1.961 -0.026 1.00 0.00 O ATOM 1219 CB ILE A 81 2.024 -2.854 -2.954 1.00 0.00 C ATOM 1220 CG1 ILE A 81 2.249 -3.616 -4.261 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.036 -1.699 -3.126 1.00 0.00 C ATOM 1222 CD1 ILE A 81 3.071 -2.783 -5.246 1.00 0.00 C ATOM 0 H ILE A 81 3.720 -4.367 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 81 3.806 -1.750 -3.151 1.00 0.00 H new ATOM 0 HB ILE A 81 1.580 -3.554 -2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.763 -4.555 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.288 -3.871 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.102 -2.078 -3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.842 -1.239 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.459 -0.956 -3.802 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.217 -3.348 -6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.542 -1.856 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.041 -2.551 -4.806 1.00 0.00 H new ATOM 1234 N TYR A 82 3.226 -0.164 -1.385 1.00 0.00 N ATOM 1235 CA TYR A 82 3.084 0.803 -0.310 1.00 0.00 C ATOM 1236 C TYR A 82 1.899 1.736 -0.565 1.00 0.00 C ATOM 1237 O TYR A 82 1.420 1.844 -1.694 1.00 0.00 O ATOM 1238 CB TYR A 82 4.374 1.626 -0.310 1.00 0.00 C ATOM 1239 CG TYR A 82 5.590 0.877 0.239 1.00 0.00 C ATOM 1240 CD1 TYR A 82 5.776 0.769 1.602 1.00 0.00 C ATOM 1241 CD2 TYR A 82 6.501 0.309 -0.629 1.00 0.00 C ATOM 1242 CE1 TYR A 82 6.920 0.063 2.119 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.645 -0.397 -0.112 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.798 -0.484 1.236 1.00 0.00 C ATOM 1245 OH TYR A 82 8.879 -1.150 1.724 1.00 0.00 O ATOM 0 H TYR A 82 3.355 0.243 -2.311 1.00 0.00 H new ATOM 0 HA TYR A 82 2.910 0.298 0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.588 1.947 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.218 2.528 0.282 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.064 1.214 2.281 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.356 0.394 -1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.077 -0.030 3.183 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.365 -0.847 -0.780 1.00 0.00 H new ATOM 0 HH TYR A 82 8.581 -1.843 2.350 1.00 0.00 H new ATOM 1255 N VAL A 83 1.459 2.387 0.501 1.00 0.00 N ATOM 1256 CA VAL A 83 0.338 3.307 0.407 1.00 0.00 C ATOM 1257 C VAL A 83 0.733 4.649 1.027 1.00 0.00 C ATOM 1258 O VAL A 83 1.289 4.691 2.123 1.00 0.00 O ATOM 1259 CB VAL A 83 -0.902 2.690 1.057 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.556 2.057 2.406 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.016 3.728 1.208 1.00 0.00 C ATOM 0 H VAL A 83 1.859 2.296 1.435 1.00 0.00 H new ATOM 0 HA VAL A 83 0.083 3.493 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.267 1.900 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.455 1.626 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.188 1.274 2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.155 2.820 3.073 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.886 3.263 1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.666 4.549 1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.291 4.112 0.226 1.00 0.00 H new ATOM 1271 N TYR A 84 0.429 5.713 0.298 1.00 0.00 N ATOM 1272 CA TYR A 84 0.744 7.054 0.763 1.00 0.00 C ATOM 1273 C TYR A 84 -0.523 7.899 0.899 1.00 0.00 C ATOM 1274 O TYR A 84 -1.512 7.659 0.208 1.00 0.00 O ATOM 1275 CB TYR A 84 1.642 7.671 -0.311 1.00 0.00 C ATOM 1276 CG TYR A 84 3.081 7.152 -0.293 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.328 5.799 -0.403 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.132 8.038 -0.167 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.683 5.311 -0.387 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.487 7.549 -0.151 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.695 6.210 -0.261 1.00 0.00 C ATOM 1282 OH TYR A 84 6.975 5.749 -0.245 1.00 0.00 O ATOM 0 H TYR A 84 -0.032 5.674 -0.611 1.00 0.00 H new ATOM 0 HA TYR A 84 1.224 7.019 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.208 7.473 -1.291 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.655 8.753 -0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.505 5.106 -0.501 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.939 9.097 -0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.890 4.255 -0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.319 8.231 -0.054 1.00 0.00 H new ATOM 0 HH TYR A 84 7.034 4.929 -0.779 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.453 8.873 1.796 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.582 9.755 2.032 1.00 0.00 C ATOM 1294 C ARG A 85 -1.427 11.045 1.223 1.00 0.00 C ATOM 1295 O ARG A 85 -0.431 11.753 1.364 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.708 10.104 3.516 1.00 0.00 C ATOM 1297 CG ARG A 85 -0.384 10.639 4.068 1.00 0.00 C ATOM 1298 CD ARG A 85 -0.595 11.956 4.819 1.00 0.00 C ATOM 1299 NE ARG A 85 0.607 12.280 5.619 1.00 0.00 N ATOM 1300 CZ ARG A 85 0.838 11.808 6.851 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -0.048 10.988 7.432 1.00 0.00 N ATOM 1302 NH2 ARG A 85 1.957 12.155 7.503 1.00 0.00 N ATOM 0 H ARG A 85 0.369 9.070 2.367 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.484 9.230 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.491 10.850 3.653 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -2.009 9.219 4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.060 9.902 4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.320 10.791 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.798 12.759 4.111 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.465 11.877 5.470 1.00 0.00 H new ATOM 0 HE ARG A 85 1.303 12.901 5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.899 10.723 6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.128 10.629 8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.632 12.778 7.061 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.133 11.796 8.441 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.425 11.310 0.394 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.412 12.502 -0.437 1.00 0.00 C ATOM 1318 C LYS A 86 -2.452 13.743 0.458 1.00 0.00 C ATOM 1319 O LYS A 86 -2.980 13.695 1.567 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.542 12.450 -1.467 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.239 11.425 -2.562 1.00 0.00 C ATOM 1322 CD LYS A 86 -4.128 11.651 -3.786 1.00 0.00 C ATOM 1323 CE LYS A 86 -3.328 12.256 -4.941 1.00 0.00 C ATOM 1324 NZ LYS A 86 -4.005 12.001 -6.231 1.00 0.00 N ATOM 0 H LYS A 86 -3.249 10.719 0.280 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.489 12.554 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.478 12.193 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.678 13.435 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.191 11.496 -2.852 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.395 10.418 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.568 10.704 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.952 12.314 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.215 13.329 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.325 11.829 -4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.448 12.419 -7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.091 10.975 -6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.953 12.429 -6.216 1.00 0.00 H new ATOM 1424 N ASN A 93 3.843 11.351 0.390 1.00 0.00 N ATOM 1425 CA ASN A 93 4.807 11.301 1.476 1.00 0.00 C ATOM 1426 C ASN A 93 4.676 9.963 2.207 1.00 0.00 C ATOM 1427 O ASN A 93 3.573 9.442 2.363 1.00 0.00 O ATOM 1428 CB ASN A 93 4.556 12.419 2.489 1.00 0.00 C ATOM 1429 CG ASN A 93 3.980 13.660 1.804 1.00 0.00 C ATOM 1430 OD1 ASN A 93 2.807 13.976 1.916 1.00 0.00 O ATOM 1431 ND2 ASN A 93 4.869 14.345 1.090 1.00 0.00 N ATOM 0 HA ASN A 93 5.802 11.420 1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.866 12.070 3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.489 12.676 2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.583 15.190 0.595 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.836 14.026 1.038 1.00 0.00 H new ATOM 1438 N PRO A 94 5.848 9.430 2.646 1.00 0.00 N ATOM 1439 CA PRO A 94 5.875 8.163 3.356 1.00 0.00 C ATOM 1440 C PRO A 94 5.372 8.328 4.791 1.00 0.00 C ATOM 1441 O PRO A 94 5.807 9.231 5.505 1.00 0.00 O ATOM 1442 CB PRO A 94 7.321 7.701 3.282 1.00 0.00 C ATOM 1443 CG PRO A 94 8.137 8.938 2.942 1.00 0.00 C ATOM 1444 CD PRO A 94 7.174 10.018 2.478 1.00 0.00 C ATOM 0 HA PRO A 94 5.211 7.420 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.642 7.270 4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.446 6.930 2.522 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.699 9.276 3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.864 8.713 2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.282 10.926 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.357 10.292 1.439 1.00 0.00 H new ATOM 1452 N PHE A 95 4.464 7.442 5.172 1.00 0.00 N ATOM 1453 CA PHE A 95 3.897 7.479 6.510 1.00 0.00 C ATOM 1454 C PHE A 95 4.995 7.396 7.572 1.00 0.00 C ATOM 1455 O PHE A 95 6.161 7.174 7.249 1.00 0.00 O ATOM 1456 CB PHE A 95 2.983 6.259 6.642 1.00 0.00 C ATOM 1457 CG PHE A 95 1.535 6.519 6.222 1.00 0.00 C ATOM 1458 CD1 PHE A 95 0.777 7.414 6.911 1.00 0.00 C ATOM 1459 CD2 PHE A 95 1.005 5.854 5.160 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.567 7.655 6.521 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.339 6.095 4.771 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.096 6.991 5.459 1.00 0.00 C ATOM 0 H PHE A 95 4.107 6.694 4.578 1.00 0.00 H new ATOM 0 HA PHE A 95 3.354 8.412 6.659 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.387 5.448 6.036 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.995 5.919 7.678 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.197 7.941 7.755 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.606 5.143 4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.169 8.366 7.068 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.760 5.567 3.929 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.118 7.175 5.162 1.00 0.00 H new