USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 533 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 16 ASN : amide:sc= 1.07 K(o=2,f=-4.3!) USER MOD Set 1.2: A 51 THR OG1 : rot -73:sc= 0.896 USER MOD Set 2.1: A 42 SER OG : rot -95:sc= 1.37 USER MOD Set 2.2: A 44 THR OG1 : rot 75:sc= 0.867 USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.695 (180deg=0.0382) USER MOD Single : A 21 ASN : amide:sc= -2.34! K(o=-2.3!,f=-0.41) USER MOD Single : A 24 SER OG : rot 56:sc= 1.18 USER MOD Single : A 27 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.0011) USER MOD Single : A 31 SER OG : rot 87:sc= 1.04 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 34 GLN : amide:sc= -0.475 X(o=-0.47,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= -2.31! (180deg=-7.11!) USER MOD Single : A 45 GLN : amide:sc= -3.13! K(o=-3.1!,f=-1.1) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -1.02 K(o=-1,f=-4.6!) USER MOD Single : A 50 SER OG : rot 68:sc= 0.436 USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0.725 (180deg=0.504) USER MOD Single : A 70 GLN : amide:sc= -0.641 K(o=-0.64,f=-0.024) USER MOD Single : A 71 ASN : amide:sc= 0.411 X(o=0.41,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.488 K(o=0.49,f=-0.11) USER MOD Single : A 75 TYR OH : rot -141:sc= 0.858 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 11 -0.396 4.752 -11.567 1.00 2.87 N ATOM 145 CA LYS A 11 -0.321 3.278 -11.357 1.00 2.83 C ATOM 146 C LYS A 11 -1.379 2.882 -10.333 1.00 2.25 C ATOM 147 O LYS A 11 -1.710 3.666 -9.456 1.00 2.06 O ATOM 148 CB LYS A 11 1.059 2.904 -10.806 1.00 3.15 C ATOM 149 CG LYS A 11 2.165 3.279 -11.806 1.00 3.58 C ATOM 150 CD LYS A 11 2.195 2.255 -12.948 1.00 3.23 C ATOM 151 CE LYS A 11 3.253 2.653 -13.979 1.00 3.44 C ATOM 152 NZ LYS A 11 4.599 2.775 -13.341 1.00 4.48 N ATOM 0 HA LYS A 11 -0.487 2.763 -12.303 1.00 2.83 H new ATOM 0 HB2 LYS A 11 1.229 3.417 -9.859 1.00 3.15 H new ATOM 0 HB3 LYS A 11 1.096 1.834 -10.600 1.00 3.15 H new ATOM 0 HG2 LYS A 11 1.986 4.278 -12.204 1.00 3.58 H new ATOM 0 HG3 LYS A 11 3.131 3.305 -11.302 1.00 3.58 H new ATOM 0 HD2 LYS A 11 2.415 1.263 -12.553 1.00 3.23 H new ATOM 0 HD3 LYS A 11 1.216 2.199 -13.423 1.00 3.23 H new ATOM 0 HE2 LYS A 11 3.289 1.909 -14.775 1.00 3.44 H new ATOM 0 HE3 LYS A 11 2.978 3.601 -14.441 1.00 3.44 H new ATOM 0 HZ1 LYS A 11 5.335 2.741 -14.075 1.00 4.48 H new ATOM 0 HZ2 LYS A 11 4.660 3.679 -12.830 1.00 4.48 H new ATOM 0 HZ3 LYS A 11 4.739 1.990 -12.674 1.00 4.48 H new ATOM 166 N VAL A 12 -1.869 1.677 -10.443 1.00 2.11 N ATOM 167 CA VAL A 12 -2.903 1.208 -9.480 1.00 1.64 C ATOM 168 C VAL A 12 -2.374 -0.088 -8.886 1.00 1.48 C ATOM 169 O VAL A 12 -1.834 -0.902 -9.615 1.00 1.84 O ATOM 170 CB VAL A 12 -4.232 0.950 -10.219 1.00 1.72 C ATOM 171 CG1 VAL A 12 -5.351 0.720 -9.189 1.00 2.08 C ATOM 172 CG2 VAL A 12 -4.586 2.165 -11.094 1.00 2.57 C ATOM 0 H VAL A 12 -1.598 1.000 -11.156 1.00 2.11 H new ATOM 0 HA VAL A 12 -3.093 1.950 -8.705 1.00 1.64 H new ATOM 0 HB VAL A 12 -4.127 0.069 -10.852 1.00 1.72 H new ATOM 0 HG11 VAL A 12 -6.292 0.537 -9.708 1.00 2.08 H new ATOM 0 HG12 VAL A 12 -5.104 -0.143 -8.571 1.00 2.08 H new ATOM 0 HG13 VAL A 12 -5.451 1.603 -8.557 1.00 2.08 H new ATOM 0 HG21 VAL A 12 -5.526 1.978 -11.614 1.00 2.57 H new ATOM 0 HG22 VAL A 12 -4.690 3.049 -10.465 1.00 2.57 H new ATOM 0 HG23 VAL A 12 -3.794 2.330 -11.824 1.00 2.57 H new ATOM 182 N PHE A 13 -2.532 -0.274 -7.605 1.00 1.30 N ATOM 183 CA PHE A 13 -2.010 -1.529 -6.990 1.00 1.32 C ATOM 184 C PHE A 13 -3.048 -2.190 -6.087 1.00 1.06 C ATOM 185 O PHE A 13 -3.765 -1.526 -5.347 1.00 1.16 O ATOM 186 CB PHE A 13 -0.759 -1.201 -6.162 1.00 1.79 C ATOM 187 CG PHE A 13 0.307 -0.555 -7.062 1.00 1.49 C ATOM 188 CD1 PHE A 13 0.887 -1.265 -8.098 1.00 1.48 C ATOM 189 CD2 PHE A 13 0.694 0.755 -6.854 1.00 2.19 C ATOM 190 CE1 PHE A 13 1.834 -0.673 -8.910 1.00 1.54 C ATOM 191 CE2 PHE A 13 1.643 1.348 -7.668 1.00 2.23 C ATOM 192 CZ PHE A 13 2.212 0.633 -8.697 1.00 1.62 C ATOM 0 H PHE A 13 -2.991 0.375 -6.966 1.00 1.30 H new ATOM 0 HA PHE A 13 -1.769 -2.225 -7.794 1.00 1.32 H new ATOM 0 HB2 PHE A 13 -1.018 -0.525 -5.347 1.00 1.79 H new ATOM 0 HB3 PHE A 13 -0.363 -2.110 -5.709 1.00 1.79 H new ATOM 0 HD1 PHE A 13 0.597 -2.290 -8.273 1.00 1.48 H new ATOM 0 HD2 PHE A 13 0.251 1.322 -6.048 1.00 2.19 H new ATOM 0 HE1 PHE A 13 2.280 -1.237 -9.716 1.00 1.54 H new ATOM 0 HE2 PHE A 13 1.937 2.373 -7.496 1.00 2.23 H new ATOM 0 HZ PHE A 13 2.952 1.095 -9.334 1.00 1.62 H new ATOM 202 N ARG A 14 -3.102 -3.488 -6.180 1.00 1.08 N ATOM 203 CA ARG A 14 -4.048 -4.253 -5.334 1.00 1.32 C ATOM 204 C ARG A 14 -3.213 -5.164 -4.477 1.00 1.66 C ATOM 205 O ARG A 14 -3.071 -6.352 -4.696 1.00 2.71 O ATOM 206 CB ARG A 14 -5.041 -5.023 -6.218 1.00 1.43 C ATOM 207 CG ARG A 14 -6.270 -5.424 -5.393 1.00 1.81 C ATOM 208 CD ARG A 14 -7.249 -6.228 -6.267 1.00 1.92 C ATOM 209 NE ARG A 14 -6.488 -7.291 -6.990 1.00 2.17 N ATOM 210 CZ ARG A 14 -6.433 -8.487 -6.496 1.00 3.22 C ATOM 211 NH1 ARG A 14 -5.918 -8.610 -5.312 1.00 4.26 N ATOM 212 NH2 ARG A 14 -6.833 -9.497 -7.206 1.00 4.19 N ATOM 0 H ARG A 14 -2.529 -4.051 -6.808 1.00 1.08 H new ATOM 0 HA ARG A 14 -4.650 -3.603 -4.700 1.00 1.32 H new ATOM 0 HB2 ARG A 14 -5.345 -4.405 -7.063 1.00 1.43 H new ATOM 0 HB3 ARG A 14 -4.562 -5.912 -6.629 1.00 1.43 H new ATOM 0 HG2 ARG A 14 -5.963 -6.020 -4.533 1.00 1.81 H new ATOM 0 HG3 ARG A 14 -6.764 -4.534 -5.004 1.00 1.81 H new ATOM 0 HD2 ARG A 14 -8.027 -6.675 -5.648 1.00 1.92 H new ATOM 0 HD3 ARG A 14 -7.747 -5.570 -6.979 1.00 1.92 H new ATOM 0 HE ARG A 14 -6.015 -7.076 -7.868 1.00 2.17 H new ATOM 0 HH11 ARG A 14 -5.580 -7.786 -4.815 1.00 4.26 H new ATOM 0 HH12 ARG A 14 -5.851 -9.531 -4.878 1.00 4.26 H new ATOM 0 HH21 ARG A 14 -7.189 -9.348 -8.150 1.00 4.19 H new ATOM 0 HH22 ARG A 14 -6.791 -10.440 -6.820 1.00 4.19 H new ATOM 226 N VAL A 15 -2.604 -4.475 -3.584 1.00 1.00 N ATOM 227 CA VAL A 15 -1.707 -5.063 -2.589 1.00 1.02 C ATOM 228 C VAL A 15 -2.477 -6.026 -1.678 1.00 0.88 C ATOM 229 O VAL A 15 -3.675 -5.861 -1.464 1.00 1.05 O ATOM 230 CB VAL A 15 -1.173 -3.860 -1.809 1.00 1.15 C ATOM 231 CG1 VAL A 15 -2.296 -3.231 -0.976 1.00 2.73 C ATOM 232 CG2 VAL A 15 -0.058 -4.299 -0.897 1.00 2.34 C ATOM 0 H VAL A 15 -2.700 -3.463 -3.500 1.00 1.00 H new ATOM 0 HA VAL A 15 -0.903 -5.650 -3.034 1.00 1.02 H new ATOM 0 HB VAL A 15 -0.796 -3.121 -2.516 1.00 1.15 H new ATOM 0 HG11 VAL A 15 -1.905 -2.376 -0.425 1.00 2.73 H new ATOM 0 HG12 VAL A 15 -3.098 -2.901 -1.636 1.00 2.73 H new ATOM 0 HG13 VAL A 15 -2.685 -3.968 -0.274 1.00 2.73 H new ATOM 0 HG21 VAL A 15 0.319 -3.439 -0.344 1.00 2.34 H new ATOM 0 HG22 VAL A 15 -0.433 -5.045 -0.197 1.00 2.34 H new ATOM 0 HG23 VAL A 15 0.748 -4.731 -1.490 1.00 2.34 H new ATOM 242 N ASN A 16 -1.779 -6.979 -1.126 1.00 0.76 N ATOM 243 CA ASN A 16 -2.448 -7.944 -0.207 1.00 0.78 C ATOM 244 C ASN A 16 -1.737 -7.836 1.138 1.00 0.74 C ATOM 245 O ASN A 16 -0.672 -7.271 1.198 1.00 1.35 O ATOM 246 CB ASN A 16 -2.335 -9.372 -0.748 1.00 1.03 C ATOM 247 CG ASN A 16 -3.381 -10.227 -0.038 1.00 2.36 C ATOM 248 OD1 ASN A 16 -4.548 -10.194 -0.382 1.00 2.80 O ATOM 249 ND2 ASN A 16 -3.027 -10.975 0.964 1.00 3.84 N ATOM 0 H ASN A 16 -0.781 -7.132 -1.269 1.00 0.76 H new ATOM 0 HA ASN A 16 -3.509 -7.714 -0.113 1.00 0.78 H new ATOM 0 HB2 ASN A 16 -2.499 -9.386 -1.826 1.00 1.03 H new ATOM 0 HB3 ASN A 16 -1.335 -9.769 -0.572 1.00 1.03 H new ATOM 0 HD21 ASN A 16 -3.726 -11.530 1.458 1.00 3.84 H new ATOM 0 HD22 ASN A 16 -2.050 -11.007 1.257 1.00 3.84 H new ATOM 256 N VAL A 17 -2.315 -8.371 2.171 1.00 0.76 N ATOM 257 CA VAL A 17 -1.666 -8.288 3.510 1.00 0.74 C ATOM 258 C VAL A 17 -1.606 -9.681 4.103 1.00 0.82 C ATOM 259 O VAL A 17 -2.597 -10.389 4.077 1.00 0.94 O ATOM 260 CB VAL A 17 -2.496 -7.393 4.449 1.00 0.85 C ATOM 261 CG1 VAL A 17 -1.602 -6.910 5.597 1.00 1.52 C ATOM 262 CG2 VAL A 17 -3.047 -6.180 3.684 1.00 1.22 C ATOM 0 H VAL A 17 -3.208 -8.863 2.150 1.00 0.76 H new ATOM 0 HA VAL A 17 -0.667 -7.867 3.400 1.00 0.74 H new ATOM 0 HB VAL A 17 -3.334 -7.968 4.843 1.00 0.85 H new ATOM 0 HG11 VAL A 17 -2.182 -6.275 6.267 1.00 1.52 H new ATOM 0 HG12 VAL A 17 -1.223 -7.770 6.149 1.00 1.52 H new ATOM 0 HG13 VAL A 17 -0.765 -6.341 5.192 1.00 1.52 H new ATOM 0 HG21 VAL A 17 -3.631 -5.557 4.361 1.00 1.22 H new ATOM 0 HG22 VAL A 17 -2.219 -5.598 3.280 1.00 1.22 H new ATOM 0 HG23 VAL A 17 -3.682 -6.523 2.867 1.00 1.22 H new ATOM 272 N GLU A 18 -0.469 -10.019 4.651 1.00 1.08 N ATOM 273 CA GLU A 18 -0.310 -11.353 5.268 1.00 1.27 C ATOM 274 C GLU A 18 -0.519 -11.245 6.777 1.00 1.22 C ATOM 275 O GLU A 18 -1.389 -11.898 7.332 1.00 1.27 O ATOM 276 CB GLU A 18 1.107 -11.840 4.953 1.00 1.59 C ATOM 277 CG GLU A 18 1.286 -11.944 3.428 1.00 1.94 C ATOM 278 CD GLU A 18 0.086 -12.683 2.818 1.00 2.14 C ATOM 279 OE1 GLU A 18 -0.057 -13.855 3.134 1.00 2.65 O ATOM 280 OE2 GLU A 18 -0.643 -12.021 2.093 1.00 2.89 O ATOM 0 H GLU A 18 0.356 -9.421 4.694 1.00 1.08 H new ATOM 0 HA GLU A 18 -1.043 -12.058 4.875 1.00 1.27 H new ATOM 0 HB2 GLU A 18 1.841 -11.151 5.370 1.00 1.59 H new ATOM 0 HB3 GLU A 18 1.281 -12.811 5.417 1.00 1.59 H new ATOM 0 HG2 GLU A 18 1.372 -10.948 2.993 1.00 1.94 H new ATOM 0 HG3 GLU A 18 2.209 -12.475 3.195 1.00 1.94 H new ATOM 287 N ASP A 19 0.272 -10.415 7.390 1.00 1.21 N ATOM 288 CA ASP A 19 0.172 -10.208 8.858 1.00 1.31 C ATOM 289 C ASP A 19 0.339 -8.715 9.120 1.00 1.12 C ATOM 290 O ASP A 19 0.046 -7.907 8.253 1.00 1.03 O ATOM 291 CB ASP A 19 1.258 -11.020 9.594 1.00 1.63 C ATOM 292 CG ASP A 19 2.636 -10.371 9.415 1.00 2.09 C ATOM 293 OD1 ASP A 19 3.022 -10.194 8.272 1.00 2.56 O ATOM 294 OD2 ASP A 19 3.216 -10.053 10.436 1.00 3.16 O ATOM 0 H ASP A 19 0.995 -9.863 6.929 1.00 1.21 H new ATOM 0 HA ASP A 19 -0.793 -10.552 9.230 1.00 1.31 H new ATOM 0 HB2 ASP A 19 1.015 -11.083 10.655 1.00 1.63 H new ATOM 0 HB3 ASP A 19 1.279 -12.040 9.211 1.00 1.63 H new ATOM 299 N GLU A 20 0.831 -8.391 10.275 1.00 1.24 N ATOM 300 CA GLU A 20 1.020 -6.977 10.634 1.00 1.16 C ATOM 301 C GLU A 20 2.265 -6.435 9.926 1.00 1.01 C ATOM 302 O GLU A 20 2.319 -5.268 9.605 1.00 0.95 O ATOM 303 CB GLU A 20 1.155 -6.913 12.162 1.00 1.42 C ATOM 304 CG GLU A 20 -0.203 -7.226 12.843 1.00 1.65 C ATOM 305 CD GLU A 20 -0.072 -7.122 14.378 1.00 2.76 C ATOM 306 OE1 GLU A 20 0.749 -7.861 14.900 1.00 3.82 O ATOM 307 OE2 GLU A 20 -0.804 -6.319 14.950 1.00 3.55 O ATOM 0 H GLU A 20 1.113 -9.059 10.992 1.00 1.24 H new ATOM 0 HA GLU A 20 0.178 -6.361 10.319 1.00 1.16 H new ATOM 0 HB2 GLU A 20 1.909 -7.626 12.496 1.00 1.42 H new ATOM 0 HB3 GLU A 20 1.498 -5.923 12.461 1.00 1.42 H new ATOM 0 HG2 GLU A 20 -0.964 -6.530 12.489 1.00 1.65 H new ATOM 0 HG3 GLU A 20 -0.533 -8.227 12.567 1.00 1.65 H new ATOM 314 N ASN A 21 3.234 -7.289 9.701 1.00 1.06 N ATOM 315 CA ASN A 21 4.492 -6.855 9.005 1.00 1.02 C ATOM 316 C ASN A 21 4.182 -5.956 7.801 1.00 0.95 C ATOM 317 O ASN A 21 4.574 -4.817 7.783 1.00 1.00 O ATOM 318 CB ASN A 21 5.264 -8.095 8.528 1.00 1.14 C ATOM 319 CG ASN A 21 6.630 -7.721 7.928 1.00 1.46 C ATOM 320 OD1 ASN A 21 7.422 -8.585 7.617 1.00 2.03 O ATOM 321 ND2 ASN A 21 6.968 -6.475 7.734 1.00 2.40 N ATOM 0 H ASN A 21 3.210 -8.273 9.970 1.00 1.06 H new ATOM 0 HA ASN A 21 5.094 -6.284 9.712 1.00 1.02 H new ATOM 0 HB2 ASN A 21 5.409 -8.777 9.366 1.00 1.14 H new ATOM 0 HB3 ASN A 21 4.673 -8.627 7.783 1.00 1.14 H new ATOM 0 HD21 ASN A 21 7.877 -6.250 7.331 1.00 2.40 H new ATOM 0 HD22 ASN A 21 6.323 -5.726 7.986 1.00 2.40 H new ATOM 328 N ASP A 22 3.505 -6.474 6.811 1.00 0.91 N ATOM 329 CA ASP A 22 3.196 -5.609 5.622 1.00 1.01 C ATOM 330 C ASP A 22 2.590 -4.285 6.090 1.00 1.08 C ATOM 331 O ASP A 22 3.027 -3.214 5.706 1.00 1.39 O ATOM 332 CB ASP A 22 2.201 -6.321 4.703 1.00 1.03 C ATOM 333 CG ASP A 22 1.959 -5.439 3.472 1.00 2.17 C ATOM 334 OD1 ASP A 22 1.128 -4.553 3.618 1.00 3.38 O ATOM 335 OD2 ASP A 22 2.654 -5.664 2.479 1.00 2.97 O ATOM 0 H ASP A 22 3.158 -7.432 6.767 1.00 0.91 H new ATOM 0 HA ASP A 22 4.120 -5.416 5.076 1.00 1.01 H new ATOM 0 HB2 ASP A 22 2.592 -7.293 4.402 1.00 1.03 H new ATOM 0 HB3 ASP A 22 1.264 -6.504 5.228 1.00 1.03 H new ATOM 340 N ILE A 23 1.597 -4.394 6.930 1.00 0.90 N ATOM 341 CA ILE A 23 0.937 -3.168 7.449 1.00 0.99 C ATOM 342 C ILE A 23 1.994 -2.160 7.940 1.00 1.06 C ATOM 343 O ILE A 23 1.888 -0.981 7.637 1.00 1.12 O ATOM 344 CB ILE A 23 -0.044 -3.573 8.563 1.00 1.03 C ATOM 345 CG1 ILE A 23 -1.065 -4.554 7.946 1.00 1.03 C ATOM 346 CG2 ILE A 23 -0.760 -2.320 9.087 1.00 1.18 C ATOM 347 CD1 ILE A 23 -2.071 -5.050 8.985 1.00 1.13 C ATOM 0 H ILE A 23 1.218 -5.275 7.276 1.00 0.90 H new ATOM 0 HA ILE A 23 0.375 -2.672 6.658 1.00 0.99 H new ATOM 0 HB ILE A 23 0.477 -4.046 9.395 1.00 1.03 H new ATOM 0 HG12 ILE A 23 -1.596 -4.062 7.131 1.00 1.03 H new ATOM 0 HG13 ILE A 23 -0.538 -5.405 7.515 1.00 1.03 H new ATOM 0 HG21 ILE A 23 -1.456 -2.602 9.877 1.00 1.18 H new ATOM 0 HG22 ILE A 23 -0.025 -1.620 9.484 1.00 1.18 H new ATOM 0 HG23 ILE A 23 -1.308 -1.847 8.272 1.00 1.18 H new ATOM 0 HD11 ILE A 23 -2.773 -5.738 8.513 1.00 1.13 H new ATOM 0 HD12 ILE A 23 -1.542 -5.565 9.787 1.00 1.13 H new ATOM 0 HD13 ILE A 23 -2.617 -4.201 9.397 1.00 1.13 H new ATOM 359 N SER A 24 2.986 -2.615 8.678 1.00 1.14 N ATOM 360 CA SER A 24 4.022 -1.635 9.133 1.00 1.25 C ATOM 361 C SER A 24 4.752 -1.073 7.904 1.00 1.18 C ATOM 362 O SER A 24 5.003 0.120 7.828 1.00 1.43 O ATOM 363 CB SER A 24 5.038 -2.285 10.098 1.00 1.42 C ATOM 364 OG SER A 24 4.990 -3.676 9.840 1.00 2.09 O ATOM 0 H SER A 24 3.119 -3.582 8.973 1.00 1.14 H new ATOM 0 HA SER A 24 3.523 -0.832 9.675 1.00 1.25 H new ATOM 0 HB2 SER A 24 6.041 -1.892 9.931 1.00 1.42 H new ATOM 0 HB3 SER A 24 4.781 -2.072 11.136 1.00 1.42 H new ATOM 0 HG SER A 24 5.164 -3.839 8.889 1.00 2.09 H new ATOM 370 N GLU A 25 5.046 -1.930 6.958 1.00 0.95 N ATOM 371 CA GLU A 25 5.757 -1.467 5.726 1.00 0.97 C ATOM 372 C GLU A 25 4.940 -0.391 4.980 1.00 1.06 C ATOM 373 O GLU A 25 5.461 0.644 4.594 1.00 1.31 O ATOM 374 CB GLU A 25 5.980 -2.670 4.788 1.00 0.91 C ATOM 375 CG GLU A 25 6.438 -3.924 5.559 1.00 1.27 C ATOM 376 CD GLU A 25 7.448 -3.580 6.658 1.00 1.80 C ATOM 377 OE1 GLU A 25 8.546 -3.205 6.281 1.00 2.64 O ATOM 378 OE2 GLU A 25 7.062 -3.722 7.815 1.00 2.86 O ATOM 0 H GLU A 25 4.826 -2.926 6.985 1.00 0.95 H new ATOM 0 HA GLU A 25 6.711 -1.032 6.023 1.00 0.97 H new ATOM 0 HB2 GLU A 25 5.056 -2.890 4.254 1.00 0.91 H new ATOM 0 HB3 GLU A 25 6.728 -2.412 4.038 1.00 0.91 H new ATOM 0 HG2 GLU A 25 5.571 -4.414 6.003 1.00 1.27 H new ATOM 0 HG3 GLU A 25 6.885 -4.635 4.864 1.00 1.27 H new ATOM 385 N LEU A 26 3.669 -0.647 4.799 1.00 0.97 N ATOM 386 CA LEU A 26 2.800 0.319 4.077 1.00 1.08 C ATOM 387 C LEU A 26 2.588 1.581 4.925 1.00 1.14 C ATOM 388 O LEU A 26 2.715 2.692 4.423 1.00 1.26 O ATOM 389 CB LEU A 26 1.465 -0.390 3.795 1.00 1.14 C ATOM 390 CG LEU A 26 0.400 0.626 3.373 1.00 1.30 C ATOM 391 CD1 LEU A 26 0.776 1.259 2.027 1.00 2.25 C ATOM 392 CD2 LEU A 26 -0.963 -0.075 3.250 1.00 1.52 C ATOM 0 H LEU A 26 3.197 -1.491 5.124 1.00 0.97 H new ATOM 0 HA LEU A 26 3.262 0.635 3.142 1.00 1.08 H new ATOM 0 HB2 LEU A 26 1.599 -1.133 3.009 1.00 1.14 H new ATOM 0 HB3 LEU A 26 1.134 -0.924 4.686 1.00 1.14 H new ATOM 0 HG LEU A 26 0.340 1.409 4.129 1.00 1.30 H new ATOM 0 HD11 LEU A 26 0.011 1.980 1.738 1.00 2.25 H new ATOM 0 HD12 LEU A 26 1.736 1.766 2.119 1.00 2.25 H new ATOM 0 HD13 LEU A 26 0.848 0.481 1.267 1.00 2.25 H new ATOM 0 HD21 LEU A 26 -1.719 0.650 2.950 1.00 1.52 H new ATOM 0 HD22 LEU A 26 -0.900 -0.865 2.501 1.00 1.52 H new ATOM 0 HD23 LEU A 26 -1.237 -0.508 4.212 1.00 1.52 H new ATOM 404 N HIS A 27 2.228 1.379 6.174 1.00 1.09 N ATOM 405 CA HIS A 27 2.009 2.550 7.081 1.00 1.21 C ATOM 406 C HIS A 27 3.098 3.589 6.836 1.00 1.22 C ATOM 407 O HIS A 27 2.789 4.744 6.632 1.00 1.34 O ATOM 408 CB HIS A 27 2.012 2.097 8.547 1.00 1.28 C ATOM 409 CG HIS A 27 0.604 1.780 9.063 1.00 1.10 C ATOM 410 ND1 HIS A 27 0.101 2.396 10.101 1.00 1.45 N ATOM 411 CD2 HIS A 27 -0.367 0.923 8.613 1.00 1.45 C ATOM 412 CE1 HIS A 27 -1.122 1.958 10.300 1.00 1.43 C ATOM 413 NE2 HIS A 27 -1.401 1.060 9.389 1.00 1.33 N ATOM 0 H HIS A 27 2.078 0.464 6.599 1.00 1.09 H new ATOM 0 HA HIS A 27 1.038 2.996 6.868 1.00 1.21 H new ATOM 0 HB2 HIS A 27 2.641 1.213 8.650 1.00 1.28 H new ATOM 0 HB3 HIS A 27 2.455 2.878 9.165 1.00 1.28 H new ATOM 0 HD2 HIS A 27 -0.287 0.256 7.768 1.00 1.45 H new ATOM 0 HE1 HIS A 27 -1.787 2.285 11.086 1.00 1.43 H new ATOM 0 HE2 HIS A 27 -2.282 0.553 9.303 1.00 1.33 H new ATOM 421 N GLU A 28 4.334 3.152 6.898 1.00 1.18 N ATOM 422 CA GLU A 28 5.494 4.075 6.631 1.00 1.26 C ATOM 423 C GLU A 28 5.174 5.045 5.478 1.00 1.24 C ATOM 424 O GLU A 28 5.210 6.259 5.616 1.00 1.34 O ATOM 425 CB GLU A 28 6.703 3.194 6.246 1.00 1.28 C ATOM 426 CG GLU A 28 7.824 3.989 5.525 1.00 2.47 C ATOM 427 CD GLU A 28 8.601 4.923 6.465 1.00 3.27 C ATOM 428 OE1 GLU A 28 8.374 4.837 7.656 1.00 3.18 O ATOM 429 OE2 GLU A 28 9.389 5.684 5.909 1.00 4.68 O ATOM 0 H GLU A 28 4.594 2.192 7.123 1.00 1.18 H new ATOM 0 HA GLU A 28 5.705 4.673 7.518 1.00 1.26 H new ATOM 0 HB2 GLU A 28 7.112 2.734 7.145 1.00 1.28 H new ATOM 0 HB3 GLU A 28 6.365 2.384 5.599 1.00 1.28 H new ATOM 0 HG2 GLU A 28 8.519 3.288 5.063 1.00 2.47 H new ATOM 0 HG3 GLU A 28 7.384 4.578 4.720 1.00 2.47 H new ATOM 436 N LEU A 29 4.847 4.469 4.359 1.00 1.21 N ATOM 437 CA LEU A 29 4.553 5.286 3.159 1.00 1.23 C ATOM 438 C LEU A 29 3.293 6.133 3.353 1.00 1.23 C ATOM 439 O LEU A 29 3.340 7.361 3.319 1.00 1.58 O ATOM 440 CB LEU A 29 4.355 4.336 1.956 1.00 1.38 C ATOM 441 CG LEU A 29 4.831 4.993 0.650 1.00 1.93 C ATOM 442 CD1 LEU A 29 4.283 6.424 0.540 1.00 1.56 C ATOM 443 CD2 LEU A 29 6.364 5.008 0.621 1.00 3.64 C ATOM 0 H LEU A 29 4.771 3.461 4.225 1.00 1.21 H new ATOM 0 HA LEU A 29 5.387 5.965 2.983 1.00 1.23 H new ATOM 0 HB2 LEU A 29 4.907 3.411 2.124 1.00 1.38 H new ATOM 0 HB3 LEU A 29 3.302 4.068 1.869 1.00 1.38 H new ATOM 0 HG LEU A 29 4.458 4.419 -0.198 1.00 1.93 H new ATOM 0 HD11 LEU A 29 4.629 6.876 -0.390 1.00 1.56 H new ATOM 0 HD12 LEU A 29 3.193 6.398 0.547 1.00 1.56 H new ATOM 0 HD13 LEU A 29 4.637 7.015 1.384 1.00 1.56 H new ATOM 0 HD21 LEU A 29 6.706 5.473 -0.304 1.00 3.64 H new ATOM 0 HD22 LEU A 29 6.738 5.576 1.473 1.00 3.64 H new ATOM 0 HD23 LEU A 29 6.739 3.986 0.673 1.00 3.64 H new ATOM 455 N ALA A 30 2.213 5.456 3.626 1.00 1.33 N ATOM 456 CA ALA A 30 0.909 6.166 3.787 1.00 1.57 C ATOM 457 C ALA A 30 0.910 7.168 4.941 1.00 1.46 C ATOM 458 O ALA A 30 0.082 8.054 4.965 1.00 1.67 O ATOM 459 CB ALA A 30 -0.190 5.134 4.033 1.00 2.21 C ATOM 0 H ALA A 30 2.174 4.444 3.745 1.00 1.33 H new ATOM 0 HA ALA A 30 0.734 6.728 2.870 1.00 1.57 H new ATOM 0 HB1 ALA A 30 -1.147 5.643 4.152 1.00 2.21 H new ATOM 0 HB2 ALA A 30 -0.245 4.452 3.185 1.00 2.21 H new ATOM 0 HB3 ALA A 30 0.036 4.570 4.938 1.00 2.21 H new ATOM 465 N SER A 31 1.845 7.037 5.846 1.00 1.64 N ATOM 466 CA SER A 31 1.872 7.969 7.019 1.00 2.09 C ATOM 467 C SER A 31 2.949 9.035 6.885 1.00 2.09 C ATOM 468 O SER A 31 3.356 9.635 7.860 1.00 2.86 O ATOM 469 CB SER A 31 2.147 7.152 8.275 1.00 2.82 C ATOM 470 OG SER A 31 1.139 6.155 8.240 1.00 3.41 O ATOM 0 H SER A 31 2.584 6.334 5.827 1.00 1.64 H new ATOM 0 HA SER A 31 0.908 8.476 7.070 1.00 2.09 H new ATOM 0 HB2 SER A 31 3.146 6.716 8.261 1.00 2.82 H new ATOM 0 HB3 SER A 31 2.079 7.762 9.175 1.00 2.82 H new ATOM 0 HG SER A 31 1.449 5.395 7.705 1.00 3.41 H new ATOM 476 N THR A 32 3.402 9.249 5.700 1.00 1.77 N ATOM 477 CA THR A 32 4.441 10.293 5.492 1.00 2.25 C ATOM 478 C THR A 32 4.315 10.834 4.078 1.00 2.23 C ATOM 479 O THR A 32 4.037 11.993 3.869 1.00 2.83 O ATOM 480 CB THR A 32 5.833 9.677 5.683 1.00 2.67 C ATOM 481 OG1 THR A 32 5.903 9.236 7.037 1.00 3.78 O ATOM 482 CG2 THR A 32 6.943 10.718 5.546 1.00 2.98 C ATOM 0 H THR A 32 3.105 8.752 4.860 1.00 1.77 H new ATOM 0 HA THR A 32 4.305 11.100 6.212 1.00 2.25 H new ATOM 0 HB THR A 32 5.967 8.893 4.938 1.00 2.67 H new ATOM 0 HG1 THR A 32 6.780 8.832 7.204 1.00 3.78 H new ATOM 0 HG21 THR A 32 7.911 10.238 5.689 1.00 2.98 H new ATOM 0 HG22 THR A 32 6.902 11.165 4.553 1.00 2.98 H new ATOM 0 HG23 THR A 32 6.808 11.495 6.299 1.00 2.98 H new ATOM 490 N ARG A 33 4.473 9.951 3.137 1.00 2.38 N ATOM 491 CA ARG A 33 4.401 10.352 1.709 1.00 3.01 C ATOM 492 C ARG A 33 3.025 9.903 1.204 1.00 1.93 C ATOM 493 O ARG A 33 2.893 8.953 0.450 1.00 2.84 O ATOM 494 CB ARG A 33 5.573 9.664 0.977 1.00 4.82 C ATOM 495 CG ARG A 33 6.902 10.043 1.674 1.00 6.57 C ATOM 496 CD ARG A 33 7.895 8.862 1.680 1.00 8.31 C ATOM 497 NE ARG A 33 7.333 7.719 2.476 1.00 8.75 N ATOM 498 CZ ARG A 33 8.011 7.193 3.479 1.00 10.31 C ATOM 499 NH1 ARG A 33 9.242 6.804 3.295 1.00 11.60 N ATOM 500 NH2 ARG A 33 7.431 7.046 4.630 1.00 10.90 N ATOM 0 H ARG A 33 4.651 8.960 3.298 1.00 2.38 H new ATOM 0 HA ARG A 33 4.497 11.425 1.541 1.00 3.01 H new ATOM 0 HB2 ARG A 33 5.439 8.582 0.987 1.00 4.82 H new ATOM 0 HB3 ARG A 33 5.596 9.973 -0.068 1.00 4.82 H new ATOM 0 HG2 ARG A 33 7.351 10.895 1.164 1.00 6.57 H new ATOM 0 HG3 ARG A 33 6.700 10.355 2.699 1.00 6.57 H new ATOM 0 HD2 ARG A 33 8.095 8.540 0.658 1.00 8.31 H new ATOM 0 HD3 ARG A 33 8.847 9.179 2.106 1.00 8.31 H new ATOM 0 HE ARG A 33 6.415 7.344 2.238 1.00 8.75 H new ATOM 0 HH11 ARG A 33 9.678 6.907 2.378 1.00 11.60 H new ATOM 0 HH12 ARG A 33 9.769 6.397 4.068 1.00 11.60 H new ATOM 0 HH21 ARG A 33 6.461 7.336 4.753 1.00 10.90 H new ATOM 0 HH22 ARG A 33 7.945 6.641 5.412 1.00 10.90 H new ATOM 514 N GLN A 34 2.037 10.578 1.753 1.00 2.07 N ATOM 515 CA GLN A 34 0.594 10.305 1.443 1.00 2.63 C ATOM 516 C GLN A 34 0.329 9.792 0.020 1.00 2.09 C ATOM 517 O GLN A 34 0.924 10.240 -0.947 1.00 2.34 O ATOM 518 CB GLN A 34 -0.244 11.586 1.682 1.00 4.14 C ATOM 519 CG GLN A 34 0.031 12.647 0.594 1.00 4.04 C ATOM 520 CD GLN A 34 -0.921 13.845 0.751 1.00 5.59 C ATOM 521 OE1 GLN A 34 -1.262 14.508 -0.207 1.00 6.31 O ATOM 522 NE2 GLN A 34 -1.360 14.176 1.929 1.00 6.80 N ATOM 0 H GLN A 34 2.179 11.332 2.425 1.00 2.07 H new ATOM 0 HA GLN A 34 0.299 9.501 2.117 1.00 2.63 H new ATOM 0 HB2 GLN A 34 -1.304 11.334 1.687 1.00 4.14 H new ATOM 0 HB3 GLN A 34 -0.010 11.999 2.663 1.00 4.14 H new ATOM 0 HG2 GLN A 34 1.065 12.986 0.662 1.00 4.04 H new ATOM 0 HG3 GLN A 34 -0.094 12.203 -0.394 1.00 4.04 H new ATOM 0 HE21 GLN A 34 -1.085 13.632 2.747 1.00 6.80 H new ATOM 0 HE22 GLN A 34 -1.979 14.980 2.035 1.00 6.80 H new ATOM 531 N ILE A 35 -0.597 8.878 -0.039 1.00 1.74 N ATOM 532 CA ILE A 35 -1.018 8.272 -1.329 1.00 1.33 C ATOM 533 C ILE A 35 -2.548 8.303 -1.312 1.00 1.06 C ATOM 534 O ILE A 35 -3.120 8.803 -0.363 1.00 1.32 O ATOM 535 CB ILE A 35 -0.538 6.808 -1.433 1.00 1.34 C ATOM 536 CG1 ILE A 35 0.758 6.587 -0.627 1.00 1.69 C ATOM 537 CG2 ILE A 35 -0.271 6.488 -2.910 1.00 1.73 C ATOM 538 CD1 ILE A 35 1.121 5.093 -0.640 1.00 2.08 C ATOM 0 H ILE A 35 -1.092 8.517 0.776 1.00 1.74 H new ATOM 0 HA ILE A 35 -0.595 8.814 -2.175 1.00 1.33 H new ATOM 0 HB ILE A 35 -1.309 6.155 -1.025 1.00 1.34 H new ATOM 0 HG12 ILE A 35 1.570 7.173 -1.056 1.00 1.69 H new ATOM 0 HG13 ILE A 35 0.624 6.931 0.399 1.00 1.69 H new ATOM 0 HG21 ILE A 35 0.069 5.457 -3.003 1.00 1.73 H new ATOM 0 HG22 ILE A 35 -1.189 6.620 -3.483 1.00 1.73 H new ATOM 0 HG23 ILE A 35 0.497 7.159 -3.295 1.00 1.73 H new ATOM 0 HD11 ILE A 35 2.037 4.936 -0.070 1.00 2.08 H new ATOM 0 HD12 ILE A 35 0.311 4.518 -0.191 1.00 2.08 H new ATOM 0 HD13 ILE A 35 1.272 4.764 -1.668 1.00 2.08 H new ATOM 550 N ASP A 36 -3.183 7.756 -2.311 1.00 1.02 N ATOM 551 CA ASP A 36 -4.679 7.747 -2.322 1.00 1.16 C ATOM 552 C ASP A 36 -5.150 6.331 -1.975 1.00 0.88 C ATOM 553 O ASP A 36 -4.350 5.414 -1.953 1.00 0.99 O ATOM 554 CB ASP A 36 -5.179 8.182 -3.713 1.00 1.72 C ATOM 555 CG ASP A 36 -6.531 7.529 -4.010 1.00 2.64 C ATOM 556 OD1 ASP A 36 -7.511 8.091 -3.557 1.00 3.12 O ATOM 557 OD2 ASP A 36 -6.501 6.473 -4.627 1.00 4.03 O ATOM 0 H ASP A 36 -2.738 7.317 -3.117 1.00 1.02 H new ATOM 0 HA ASP A 36 -5.083 8.445 -1.588 1.00 1.16 H new ATOM 0 HB2 ASP A 36 -5.273 9.267 -3.752 1.00 1.72 H new ATOM 0 HB3 ASP A 36 -4.453 7.898 -4.475 1.00 1.72 H new ATOM 562 N PHE A 37 -6.425 6.181 -1.705 1.00 1.16 N ATOM 563 CA PHE A 37 -6.969 4.832 -1.337 1.00 0.97 C ATOM 564 C PHE A 37 -8.405 4.680 -1.858 1.00 1.01 C ATOM 565 O PHE A 37 -9.167 5.624 -1.798 1.00 1.38 O ATOM 566 CB PHE A 37 -6.931 4.686 0.196 1.00 1.12 C ATOM 567 CG PHE A 37 -5.472 4.482 0.651 1.00 1.06 C ATOM 568 CD1 PHE A 37 -4.802 3.309 0.346 1.00 1.26 C ATOM 569 CD2 PHE A 37 -4.790 5.481 1.333 1.00 1.44 C ATOM 570 CE1 PHE A 37 -3.480 3.137 0.702 1.00 1.46 C ATOM 571 CE2 PHE A 37 -3.465 5.306 1.691 1.00 1.56 C ATOM 572 CZ PHE A 37 -2.811 4.136 1.375 1.00 1.42 C ATOM 0 H PHE A 37 -7.113 6.933 -1.723 1.00 1.16 H new ATOM 0 HA PHE A 37 -6.361 4.050 -1.792 1.00 0.97 H new ATOM 0 HB2 PHE A 37 -7.351 5.574 0.668 1.00 1.12 H new ATOM 0 HB3 PHE A 37 -7.543 3.840 0.508 1.00 1.12 H new ATOM 0 HD1 PHE A 37 -5.321 2.519 -0.177 1.00 1.26 H new ATOM 0 HD2 PHE A 37 -5.297 6.400 1.586 1.00 1.44 H new ATOM 0 HE1 PHE A 37 -2.969 2.219 0.453 1.00 1.46 H new ATOM 0 HE2 PHE A 37 -2.942 6.089 2.220 1.00 1.56 H new ATOM 0 HZ PHE A 37 -1.776 4.002 1.654 1.00 1.42 H new ATOM 582 N TRP A 38 -8.759 3.505 -2.341 1.00 0.91 N ATOM 583 CA TRP A 38 -10.154 3.316 -2.866 1.00 1.01 C ATOM 584 C TRP A 38 -10.900 2.234 -2.073 1.00 0.97 C ATOM 585 O TRP A 38 -11.990 2.468 -1.588 1.00 1.11 O ATOM 586 CB TRP A 38 -10.088 2.926 -4.356 1.00 1.12 C ATOM 587 CG TRP A 38 -11.409 3.023 -5.132 1.00 1.88 C ATOM 588 CD1 TRP A 38 -12.595 3.505 -4.651 1.00 2.79 C ATOM 589 CD2 TRP A 38 -11.693 2.680 -6.439 1.00 2.32 C ATOM 590 NE1 TRP A 38 -13.510 3.457 -5.575 1.00 3.65 N ATOM 591 CE2 TRP A 38 -13.026 2.964 -6.693 1.00 3.40 C ATOM 592 CE3 TRP A 38 -10.881 2.139 -7.423 1.00 2.14 C ATOM 593 CZ2 TRP A 38 -13.580 2.709 -7.920 1.00 4.09 C ATOM 594 CZ3 TRP A 38 -11.454 1.887 -8.665 1.00 2.86 C ATOM 595 CH2 TRP A 38 -12.791 2.169 -8.911 1.00 3.76 C ATOM 0 H TRP A 38 -8.155 2.685 -2.393 1.00 0.91 H new ATOM 0 HA TRP A 38 -10.700 4.252 -2.753 1.00 1.01 H new ATOM 0 HB2 TRP A 38 -9.353 3.564 -4.847 1.00 1.12 H new ATOM 0 HB3 TRP A 38 -9.721 1.902 -4.428 1.00 1.12 H new ATOM 0 HD1 TRP A 38 -12.750 3.873 -3.648 1.00 2.79 H new ATOM 0 HE1 TRP A 38 -14.475 3.762 -5.448 1.00 3.65 H new ATOM 0 HE3 TRP A 38 -9.841 1.921 -7.232 1.00 2.14 H new ATOM 0 HZ2 TRP A 38 -14.621 2.928 -8.107 1.00 4.09 H new ATOM 0 HZ3 TRP A 38 -10.848 1.464 -9.453 1.00 2.86 H new ATOM 0 HH2 TRP A 38 -13.214 1.964 -9.883 1.00 3.76 H new ATOM 606 N LYS A 39 -10.325 1.058 -1.998 1.00 0.91 N ATOM 607 CA LYS A 39 -10.986 -0.052 -1.231 1.00 0.97 C ATOM 608 C LYS A 39 -9.968 -0.619 -0.229 1.00 0.90 C ATOM 609 O LYS A 39 -8.781 -0.561 -0.482 1.00 0.98 O ATOM 610 CB LYS A 39 -11.426 -1.167 -2.198 1.00 1.12 C ATOM 611 CG LYS A 39 -12.243 -0.559 -3.353 1.00 1.95 C ATOM 612 CD LYS A 39 -12.101 -1.432 -4.612 1.00 2.59 C ATOM 613 CE LYS A 39 -12.038 -0.516 -5.843 1.00 3.62 C ATOM 614 NZ LYS A 39 -11.228 -1.134 -6.935 1.00 4.32 N ATOM 0 H LYS A 39 -9.433 0.817 -2.430 1.00 0.91 H new ATOM 0 HA LYS A 39 -11.864 0.329 -0.708 1.00 0.97 H new ATOM 0 HB2 LYS A 39 -10.552 -1.686 -2.592 1.00 1.12 H new ATOM 0 HB3 LYS A 39 -12.024 -1.907 -1.667 1.00 1.12 H new ATOM 0 HG2 LYS A 39 -13.292 -0.485 -3.068 1.00 1.95 H new ATOM 0 HG3 LYS A 39 -11.897 0.453 -3.561 1.00 1.95 H new ATOM 0 HD2 LYS A 39 -11.200 -2.042 -4.549 1.00 2.59 H new ATOM 0 HD3 LYS A 39 -12.945 -2.117 -4.694 1.00 2.59 H new ATOM 0 HE2 LYS A 39 -13.047 -0.317 -6.203 1.00 3.62 H new ATOM 0 HE3 LYS A 39 -11.604 0.444 -5.563 1.00 3.62 H new ATOM 0 HZ1 LYS A 39 -10.482 -0.472 -7.231 1.00 4.32 H new ATOM 0 HZ2 LYS A 39 -10.793 -2.013 -6.590 1.00 4.32 H new ATOM 0 HZ3 LYS A 39 -11.844 -1.347 -7.746 1.00 4.32 H new ATOM 628 N PRO A 40 -10.429 -1.179 0.871 1.00 1.13 N ATOM 629 CA PRO A 40 -11.863 -1.410 1.169 1.00 1.96 C ATOM 630 C PRO A 40 -12.522 -0.117 1.653 1.00 2.56 C ATOM 631 O PRO A 40 -13.386 0.418 0.995 1.00 3.74 O ATOM 632 CB PRO A 40 -11.860 -2.481 2.277 1.00 2.43 C ATOM 633 CG PRO A 40 -10.379 -2.811 2.587 1.00 1.86 C ATOM 634 CD PRO A 40 -9.530 -1.728 1.908 1.00 1.32 C ATOM 0 HA PRO A 40 -12.428 -1.731 0.294 1.00 1.96 H new ATOM 0 HB2 PRO A 40 -12.368 -2.114 3.169 1.00 2.43 H new ATOM 0 HB3 PRO A 40 -12.394 -3.374 1.951 1.00 2.43 H new ATOM 0 HG2 PRO A 40 -10.203 -2.822 3.663 1.00 1.86 H new ATOM 0 HG3 PRO A 40 -10.117 -3.800 2.211 1.00 1.86 H new ATOM 0 HD2 PRO A 40 -9.219 -0.960 2.616 1.00 1.32 H new ATOM 0 HD3 PRO A 40 -8.623 -2.145 1.472 1.00 1.32 H new ATOM 642 N ASP A 41 -12.100 0.350 2.787 1.00 2.31 N ATOM 643 CA ASP A 41 -12.674 1.609 3.346 1.00 3.12 C ATOM 644 C ASP A 41 -11.529 2.579 3.612 1.00 2.66 C ATOM 645 O ASP A 41 -11.361 3.561 2.916 1.00 3.10 O ATOM 646 CB ASP A 41 -13.425 1.258 4.641 1.00 4.08 C ATOM 647 CG ASP A 41 -13.592 2.492 5.531 1.00 3.99 C ATOM 648 OD1 ASP A 41 -14.510 3.238 5.263 1.00 4.79 O ATOM 649 OD2 ASP A 41 -12.791 2.602 6.452 1.00 4.06 O ATOM 0 H ASP A 41 -11.377 -0.085 3.359 1.00 2.31 H new ATOM 0 HA ASP A 41 -13.372 2.079 2.653 1.00 3.12 H new ATOM 0 HB2 ASP A 41 -14.404 0.846 4.397 1.00 4.08 H new ATOM 0 HB3 ASP A 41 -12.880 0.485 5.183 1.00 4.08 H new ATOM 654 N SER A 42 -10.751 2.247 4.598 1.00 2.21 N ATOM 655 CA SER A 42 -9.581 3.085 4.965 1.00 2.05 C ATOM 656 C SER A 42 -8.366 2.178 5.155 1.00 1.89 C ATOM 657 O SER A 42 -8.417 0.993 4.859 1.00 2.55 O ATOM 658 CB SER A 42 -9.898 3.818 6.277 1.00 2.00 C ATOM 659 OG SER A 42 -10.122 2.770 7.221 1.00 3.01 O ATOM 0 H SER A 42 -10.878 1.416 5.175 1.00 2.21 H new ATOM 0 HA SER A 42 -9.368 3.813 4.182 1.00 2.05 H new ATOM 0 HB2 SER A 42 -9.072 4.460 6.584 1.00 2.00 H new ATOM 0 HB3 SER A 42 -10.776 4.456 6.174 1.00 2.00 H new ATOM 0 HG SER A 42 -11.082 2.582 7.279 1.00 3.01 H new ATOM 665 N VAL A 43 -7.312 2.749 5.669 1.00 1.52 N ATOM 666 CA VAL A 43 -6.078 1.950 5.919 1.00 1.40 C ATOM 667 C VAL A 43 -5.966 1.785 7.443 1.00 1.33 C ATOM 668 O VAL A 43 -4.899 1.645 8.008 1.00 1.63 O ATOM 669 CB VAL A 43 -4.875 2.709 5.304 1.00 1.69 C ATOM 670 CG1 VAL A 43 -4.623 4.026 6.054 1.00 2.03 C ATOM 671 CG2 VAL A 43 -3.608 1.836 5.354 1.00 1.79 C ATOM 0 H VAL A 43 -7.251 3.734 5.927 1.00 1.52 H new ATOM 0 HA VAL A 43 -6.101 0.962 5.459 1.00 1.40 H new ATOM 0 HB VAL A 43 -5.114 2.935 4.265 1.00 1.69 H new ATOM 0 HG11 VAL A 43 -3.774 4.543 5.606 1.00 2.03 H new ATOM 0 HG12 VAL A 43 -5.509 4.658 5.988 1.00 2.03 H new ATOM 0 HG13 VAL A 43 -4.407 3.813 7.101 1.00 2.03 H new ATOM 0 HG21 VAL A 43 -2.772 2.383 4.918 1.00 1.79 H new ATOM 0 HG22 VAL A 43 -3.378 1.587 6.390 1.00 1.79 H new ATOM 0 HG23 VAL A 43 -3.775 0.919 4.789 1.00 1.79 H new ATOM 681 N THR A 44 -7.123 1.795 8.063 1.00 1.70 N ATOM 682 CA THR A 44 -7.211 1.648 9.548 1.00 1.78 C ATOM 683 C THR A 44 -7.998 0.381 9.911 1.00 1.80 C ATOM 684 O THR A 44 -7.555 -0.404 10.725 1.00 2.06 O ATOM 685 CB THR A 44 -7.916 2.877 10.146 1.00 1.99 C ATOM 686 OG1 THR A 44 -8.232 3.727 9.044 1.00 1.87 O ATOM 687 CG2 THR A 44 -6.960 3.718 10.998 1.00 2.17 C ATOM 0 H THR A 44 -8.022 1.901 7.594 1.00 1.70 H new ATOM 0 HA THR A 44 -6.203 1.568 9.955 1.00 1.78 H new ATOM 0 HB THR A 44 -8.763 2.537 10.741 1.00 1.99 H new ATOM 0 HG1 THR A 44 -8.988 3.351 8.547 1.00 1.87 H new ATOM 0 HG21 THR A 44 -7.494 4.577 11.403 1.00 2.17 H new ATOM 0 HG22 THR A 44 -6.573 3.112 11.817 1.00 2.17 H new ATOM 0 HG23 THR A 44 -6.131 4.064 10.380 1.00 2.17 H new ATOM 695 N GLN A 45 -9.133 0.178 9.281 1.00 1.92 N ATOM 696 CA GLN A 45 -9.931 -1.048 9.609 1.00 2.06 C ATOM 697 C GLN A 45 -9.482 -2.219 8.721 1.00 1.80 C ATOM 698 O GLN A 45 -10.277 -2.910 8.100 1.00 2.06 O ATOM 699 CB GLN A 45 -11.433 -0.763 9.410 1.00 2.49 C ATOM 700 CG GLN A 45 -11.715 -0.257 7.984 1.00 3.75 C ATOM 701 CD GLN A 45 -13.117 -0.710 7.577 1.00 4.76 C ATOM 702 OE1 GLN A 45 -13.402 -1.883 7.535 1.00 5.76 O ATOM 703 NE2 GLN A 45 -14.024 0.167 7.285 1.00 5.14 N ATOM 0 H GLN A 45 -9.533 0.791 8.571 1.00 1.92 H new ATOM 0 HA GLN A 45 -9.762 -1.319 10.651 1.00 2.06 H new ATOM 0 HB2 GLN A 45 -12.007 -1.671 9.598 1.00 2.49 H new ATOM 0 HB3 GLN A 45 -11.765 -0.020 10.135 1.00 2.49 H new ATOM 0 HG2 GLN A 45 -11.642 0.830 7.946 1.00 3.75 H new ATOM 0 HG3 GLN A 45 -10.973 -0.650 7.289 1.00 3.75 H new ATOM 0 HE21 GLN A 45 -13.800 1.162 7.315 1.00 5.14 H new ATOM 0 HE22 GLN A 45 -14.962 -0.137 7.025 1.00 5.14 H new ATOM 712 N ILE A 46 -8.193 -2.419 8.706 1.00 1.50 N ATOM 713 CA ILE A 46 -7.601 -3.521 7.893 1.00 1.26 C ATOM 714 C ILE A 46 -6.880 -4.485 8.834 1.00 1.09 C ATOM 715 O ILE A 46 -6.518 -4.116 9.934 1.00 1.30 O ATOM 716 CB ILE A 46 -6.624 -2.907 6.872 1.00 1.20 C ATOM 717 CG1 ILE A 46 -7.451 -2.075 5.872 1.00 1.61 C ATOM 718 CG2 ILE A 46 -5.830 -4.007 6.141 1.00 1.32 C ATOM 719 CD1 ILE A 46 -6.586 -1.633 4.691 1.00 1.70 C ATOM 0 H ILE A 46 -7.517 -1.861 9.227 1.00 1.50 H new ATOM 0 HA ILE A 46 -8.371 -4.071 7.352 1.00 1.26 H new ATOM 0 HB ILE A 46 -5.898 -2.273 7.382 1.00 1.20 H new ATOM 0 HG12 ILE A 46 -8.294 -2.664 5.511 1.00 1.61 H new ATOM 0 HG13 ILE A 46 -7.865 -1.200 6.374 1.00 1.61 H new ATOM 0 HG21 ILE A 46 -5.147 -3.549 5.426 1.00 1.32 H new ATOM 0 HG22 ILE A 46 -5.260 -4.587 6.866 1.00 1.32 H new ATOM 0 HG23 ILE A 46 -6.521 -4.665 5.613 1.00 1.32 H new ATOM 0 HD11 ILE A 46 -7.189 -1.047 3.997 1.00 1.70 H new ATOM 0 HD12 ILE A 46 -5.758 -1.025 5.054 1.00 1.70 H new ATOM 0 HD13 ILE A 46 -6.194 -2.511 4.178 1.00 1.70 H new ATOM 731 N LYS A 47 -6.681 -5.694 8.390 1.00 0.97 N ATOM 732 CA LYS A 47 -5.990 -6.696 9.250 1.00 1.04 C ATOM 733 C LYS A 47 -4.981 -7.498 8.418 1.00 1.07 C ATOM 734 O LYS A 47 -4.851 -7.296 7.221 1.00 1.15 O ATOM 735 CB LYS A 47 -7.071 -7.606 9.871 1.00 1.33 C ATOM 736 CG LYS A 47 -7.996 -8.156 8.776 1.00 2.55 C ATOM 737 CD LYS A 47 -9.263 -8.723 9.416 1.00 3.86 C ATOM 738 CE LYS A 47 -10.049 -9.498 8.353 1.00 5.74 C ATOM 739 NZ LYS A 47 -11.410 -9.847 8.855 1.00 7.16 N ATOM 0 H LYS A 47 -6.966 -6.032 7.471 1.00 0.97 H new ATOM 0 HA LYS A 47 -5.428 -6.208 10.046 1.00 1.04 H new ATOM 0 HB2 LYS A 47 -6.599 -8.430 10.406 1.00 1.33 H new ATOM 0 HB3 LYS A 47 -7.654 -7.044 10.601 1.00 1.33 H new ATOM 0 HG2 LYS A 47 -8.254 -7.365 8.072 1.00 2.55 H new ATOM 0 HG3 LYS A 47 -7.484 -8.933 8.209 1.00 2.55 H new ATOM 0 HD2 LYS A 47 -9.005 -9.379 10.247 1.00 3.86 H new ATOM 0 HD3 LYS A 47 -9.873 -7.917 9.824 1.00 3.86 H new ATOM 0 HE2 LYS A 47 -10.133 -8.899 7.446 1.00 5.74 H new ATOM 0 HE3 LYS A 47 -9.510 -10.407 8.086 1.00 5.74 H new ATOM 0 HZ1 LYS A 47 -11.927 -10.372 8.121 1.00 7.16 H new ATOM 0 HZ2 LYS A 47 -11.325 -10.437 9.707 1.00 7.16 H new ATOM 0 HZ3 LYS A 47 -11.928 -8.976 9.088 1.00 7.16 H new ATOM 753 N PRO A 48 -4.246 -8.364 9.081 1.00 1.22 N ATOM 754 CA PRO A 48 -3.690 -9.583 8.458 1.00 1.30 C ATOM 755 C PRO A 48 -4.596 -10.150 7.356 1.00 1.25 C ATOM 756 O PRO A 48 -5.768 -9.845 7.299 1.00 1.25 O ATOM 757 CB PRO A 48 -3.570 -10.540 9.642 1.00 1.42 C ATOM 758 CG PRO A 48 -3.375 -9.644 10.891 1.00 1.47 C ATOM 759 CD PRO A 48 -3.936 -8.255 10.531 1.00 1.44 C ATOM 0 HA PRO A 48 -2.744 -9.401 7.948 1.00 1.30 H new ATOM 0 HB2 PRO A 48 -4.464 -11.156 9.739 1.00 1.42 H new ATOM 0 HB3 PRO A 48 -2.727 -11.219 9.512 1.00 1.42 H new ATOM 0 HG2 PRO A 48 -3.897 -10.061 11.752 1.00 1.47 H new ATOM 0 HG3 PRO A 48 -2.321 -9.578 11.159 1.00 1.47 H new ATOM 0 HD2 PRO A 48 -4.826 -8.020 11.114 1.00 1.44 H new ATOM 0 HD3 PRO A 48 -3.209 -7.467 10.727 1.00 1.44 H new ATOM 767 N HIS A 49 -4.019 -10.984 6.533 1.00 1.45 N ATOM 768 CA HIS A 49 -4.775 -11.633 5.407 1.00 1.56 C ATOM 769 C HIS A 49 -5.897 -10.713 4.869 1.00 1.50 C ATOM 770 O HIS A 49 -7.066 -11.059 4.870 1.00 1.65 O ATOM 771 CB HIS A 49 -5.355 -12.966 5.924 1.00 1.71 C ATOM 772 CG HIS A 49 -4.710 -13.482 7.221 1.00 1.93 C ATOM 773 ND1 HIS A 49 -3.413 -13.537 7.376 1.00 3.30 N ATOM 774 CD2 HIS A 49 -5.259 -13.943 8.389 1.00 2.00 C ATOM 775 CE1 HIS A 49 -3.149 -14.008 8.574 1.00 3.55 C ATOM 776 NE2 HIS A 49 -4.280 -14.253 9.186 1.00 2.60 N ATOM 0 H HIS A 49 -3.036 -11.252 6.590 1.00 1.45 H new ATOM 0 HA HIS A 49 -4.098 -11.817 4.573 1.00 1.56 H new ATOM 0 HB2 HIS A 49 -6.425 -12.842 6.090 1.00 1.71 H new ATOM 0 HB3 HIS A 49 -5.238 -13.723 5.149 1.00 1.71 H new ATOM 0 HD1 HIS A 49 -2.720 -13.260 6.681 1.00 3.30 H new ATOM 0 HD2 HIS A 49 -6.313 -14.032 8.607 1.00 2.00 H new ATOM 0 HE1 HIS A 49 -2.163 -14.167 8.985 1.00 3.55 H new ATOM 784 N SER A 50 -5.494 -9.547 4.429 1.00 1.40 N ATOM 785 CA SER A 50 -6.462 -8.545 3.874 1.00 1.45 C ATOM 786 C SER A 50 -5.971 -8.098 2.491 1.00 1.30 C ATOM 787 O SER A 50 -4.928 -8.531 2.045 1.00 1.99 O ATOM 788 CB SER A 50 -6.538 -7.321 4.799 1.00 1.60 C ATOM 789 OG SER A 50 -7.120 -7.792 6.015 1.00 2.30 O ATOM 0 H SER A 50 -4.521 -9.241 4.430 1.00 1.40 H new ATOM 0 HA SER A 50 -7.450 -8.998 3.798 1.00 1.45 H new ATOM 0 HB2 SER A 50 -5.548 -6.901 4.976 1.00 1.60 H new ATOM 0 HB3 SER A 50 -7.144 -6.531 4.355 1.00 1.60 H new ATOM 0 HG SER A 50 -6.493 -8.396 6.465 1.00 2.30 H new ATOM 795 N THR A 51 -6.724 -7.253 1.837 1.00 1.07 N ATOM 796 CA THR A 51 -6.303 -6.768 0.488 1.00 0.97 C ATOM 797 C THR A 51 -6.723 -5.299 0.342 1.00 0.93 C ATOM 798 O THR A 51 -7.713 -4.903 0.925 1.00 1.18 O ATOM 799 CB THR A 51 -6.997 -7.639 -0.567 1.00 1.34 C ATOM 800 OG1 THR A 51 -6.983 -8.954 -0.018 1.00 2.39 O ATOM 801 CG2 THR A 51 -6.175 -7.743 -1.855 1.00 1.42 C ATOM 0 H THR A 51 -7.610 -6.878 2.177 1.00 1.07 H new ATOM 0 HA THR A 51 -5.223 -6.837 0.359 1.00 0.97 H new ATOM 0 HB THR A 51 -7.979 -7.223 -0.795 1.00 1.34 H new ATOM 0 HG1 THR A 51 -6.075 -9.319 -0.067 1.00 2.39 H new ATOM 0 HG21 THR A 51 -6.703 -8.369 -2.574 1.00 1.42 H new ATOM 0 HG22 THR A 51 -6.031 -6.748 -2.276 1.00 1.42 H new ATOM 0 HG23 THR A 51 -5.204 -8.187 -1.632 1.00 1.42 H new ATOM 809 N VAL A 52 -5.991 -4.519 -0.419 1.00 0.89 N ATOM 810 CA VAL A 52 -6.375 -3.075 -0.572 1.00 1.03 C ATOM 811 C VAL A 52 -6.377 -2.688 -2.050 1.00 1.13 C ATOM 812 O VAL A 52 -5.647 -3.266 -2.824 1.00 1.40 O ATOM 813 CB VAL A 52 -5.373 -2.219 0.225 1.00 1.22 C ATOM 814 CG1 VAL A 52 -5.696 -0.724 0.092 1.00 2.32 C ATOM 815 CG2 VAL A 52 -5.446 -2.620 1.700 1.00 1.47 C ATOM 0 H VAL A 52 -5.159 -4.810 -0.933 1.00 0.89 H new ATOM 0 HA VAL A 52 -7.380 -2.906 -0.185 1.00 1.03 H new ATOM 0 HB VAL A 52 -4.372 -2.391 -0.171 1.00 1.22 H new ATOM 0 HG11 VAL A 52 -4.973 -0.143 0.665 1.00 2.32 H new ATOM 0 HG12 VAL A 52 -5.646 -0.433 -0.957 1.00 2.32 H new ATOM 0 HG13 VAL A 52 -6.699 -0.533 0.474 1.00 2.32 H new ATOM 0 HG21 VAL A 52 -4.741 -2.021 2.275 1.00 1.47 H new ATOM 0 HG22 VAL A 52 -6.456 -2.450 2.074 1.00 1.47 H new ATOM 0 HG23 VAL A 52 -5.194 -3.675 1.803 1.00 1.47 H new ATOM 825 N ASP A 53 -7.174 -1.702 -2.380 1.00 1.02 N ATOM 826 CA ASP A 53 -7.292 -1.224 -3.792 1.00 1.28 C ATOM 827 C ASP A 53 -7.045 0.286 -3.827 1.00 1.32 C ATOM 828 O ASP A 53 -7.860 1.046 -3.317 1.00 1.51 O ATOM 829 CB ASP A 53 -8.717 -1.505 -4.264 1.00 1.47 C ATOM 830 CG ASP A 53 -8.825 -1.364 -5.776 1.00 2.03 C ATOM 831 OD1 ASP A 53 -8.806 -0.232 -6.230 1.00 3.11 O ATOM 832 OD2 ASP A 53 -8.991 -2.396 -6.400 1.00 2.80 O ATOM 0 H ASP A 53 -7.760 -1.198 -1.715 1.00 1.02 H new ATOM 0 HA ASP A 53 -6.568 -1.729 -4.432 1.00 1.28 H new ATOM 0 HB2 ASP A 53 -9.011 -2.511 -3.966 1.00 1.47 H new ATOM 0 HB3 ASP A 53 -9.408 -0.815 -3.780 1.00 1.47 H new ATOM 837 N PHE A 54 -5.920 0.702 -4.354 1.00 1.23 N ATOM 838 CA PHE A 54 -5.655 2.173 -4.402 1.00 1.37 C ATOM 839 C PHE A 54 -4.775 2.578 -5.585 1.00 1.14 C ATOM 840 O PHE A 54 -4.323 1.744 -6.357 1.00 1.65 O ATOM 841 CB PHE A 54 -4.983 2.611 -3.098 1.00 1.91 C ATOM 842 CG PHE A 54 -3.555 2.063 -2.946 1.00 1.39 C ATOM 843 CD1 PHE A 54 -3.323 0.711 -2.758 1.00 1.59 C ATOM 844 CD2 PHE A 54 -2.484 2.936 -2.928 1.00 1.65 C ATOM 845 CE1 PHE A 54 -2.039 0.245 -2.550 1.00 1.83 C ATOM 846 CE2 PHE A 54 -1.202 2.472 -2.719 1.00 1.83 C ATOM 847 CZ PHE A 54 -0.977 1.123 -2.528 1.00 1.83 C ATOM 0 H PHE A 54 -5.191 0.105 -4.744 1.00 1.23 H new ATOM 0 HA PHE A 54 -6.617 2.670 -4.529 1.00 1.37 H new ATOM 0 HB2 PHE A 54 -4.955 3.700 -3.058 1.00 1.91 H new ATOM 0 HB3 PHE A 54 -5.587 2.277 -2.254 1.00 1.91 H new ATOM 0 HD1 PHE A 54 -4.150 0.017 -2.774 1.00 1.59 H new ATOM 0 HD2 PHE A 54 -2.652 3.992 -3.079 1.00 1.65 H new ATOM 0 HE1 PHE A 54 -1.867 -0.811 -2.404 1.00 1.83 H new ATOM 0 HE2 PHE A 54 -0.373 3.164 -2.705 1.00 1.83 H new ATOM 0 HZ PHE A 54 0.026 0.758 -2.362 1.00 1.83 H new ATOM 857 N ARG A 55 -4.548 3.865 -5.697 1.00 1.17 N ATOM 858 CA ARG A 55 -3.690 4.380 -6.801 1.00 1.57 C ATOM 859 C ARG A 55 -2.521 5.143 -6.171 1.00 1.81 C ATOM 860 O ARG A 55 -2.572 5.492 -4.997 1.00 2.21 O ATOM 861 CB ARG A 55 -4.527 5.308 -7.698 1.00 2.15 C ATOM 862 CG ARG A 55 -4.527 6.734 -7.138 1.00 2.75 C ATOM 863 CD ARG A 55 -5.801 7.464 -7.548 1.00 3.30 C ATOM 864 NE ARG A 55 -6.006 7.317 -9.021 1.00 3.94 N ATOM 865 CZ ARG A 55 -7.183 7.049 -9.488 1.00 5.00 C ATOM 866 NH1 ARG A 55 -8.217 7.497 -8.841 1.00 5.68 N ATOM 867 NH2 ARG A 55 -7.269 6.366 -10.589 1.00 6.12 N ATOM 0 H ARG A 55 -4.921 4.578 -5.070 1.00 1.17 H new ATOM 0 HA ARG A 55 -3.306 3.565 -7.415 1.00 1.57 H new ATOM 0 HB2 ARG A 55 -4.122 5.308 -8.710 1.00 2.15 H new ATOM 0 HB3 ARG A 55 -5.549 4.936 -7.763 1.00 2.15 H new ATOM 0 HG2 ARG A 55 -4.450 6.705 -6.051 1.00 2.75 H new ATOM 0 HG3 ARG A 55 -3.655 7.276 -7.505 1.00 2.75 H new ATOM 0 HD2 ARG A 55 -6.656 7.057 -7.008 1.00 3.30 H new ATOM 0 HD3 ARG A 55 -5.730 8.519 -7.283 1.00 3.30 H new ATOM 0 HE ARG A 55 -5.218 7.428 -9.659 1.00 3.94 H new ATOM 0 HH11 ARG A 55 -8.088 8.044 -7.990 1.00 5.68 H new ATOM 0 HH12 ARG A 55 -9.157 7.302 -9.185 1.00 5.68 H new ATOM 0 HH21 ARG A 55 -6.421 6.055 -11.064 1.00 6.12 H new ATOM 0 HH22 ARG A 55 -8.184 6.141 -10.979 1.00 6.12 H new ATOM 881 N VAL A 56 -1.515 5.425 -6.950 1.00 2.41 N ATOM 882 CA VAL A 56 -0.352 6.152 -6.371 1.00 3.29 C ATOM 883 C VAL A 56 -0.071 7.463 -7.108 1.00 3.07 C ATOM 884 O VAL A 56 1.065 7.804 -7.385 1.00 4.43 O ATOM 885 CB VAL A 56 0.843 5.195 -6.424 1.00 4.62 C ATOM 886 CG1 VAL A 56 2.050 5.783 -5.693 1.00 5.93 C ATOM 887 CG2 VAL A 56 0.447 3.885 -5.729 1.00 5.82 C ATOM 0 H VAL A 56 -1.447 5.190 -7.940 1.00 2.41 H new ATOM 0 HA VAL A 56 -0.560 6.443 -5.341 1.00 3.29 H new ATOM 0 HB VAL A 56 1.111 5.027 -7.467 1.00 4.62 H new ATOM 0 HG11 VAL A 56 2.884 5.083 -5.746 1.00 5.93 H new ATOM 0 HG12 VAL A 56 2.336 6.725 -6.162 1.00 5.93 H new ATOM 0 HG13 VAL A 56 1.792 5.961 -4.649 1.00 5.93 H new ATOM 0 HG21 VAL A 56 1.286 3.190 -5.757 1.00 5.82 H new ATOM 0 HG22 VAL A 56 0.179 4.090 -4.692 1.00 5.82 H new ATOM 0 HG23 VAL A 56 -0.407 3.444 -6.244 1.00 5.82 H new ATOM 897 N LYS A 57 -1.109 8.237 -7.311 1.00 2.19 N ATOM 898 CA LYS A 57 -0.940 9.536 -8.019 1.00 2.05 C ATOM 899 C LYS A 57 -0.007 9.362 -9.238 1.00 1.80 C ATOM 900 O LYS A 57 -0.019 8.314 -9.865 1.00 2.48 O ATOM 901 CB LYS A 57 -0.332 10.530 -7.020 1.00 2.54 C ATOM 902 CG LYS A 57 -1.175 10.606 -5.733 1.00 3.33 C ATOM 903 CD LYS A 57 -0.303 11.050 -4.540 1.00 4.29 C ATOM 904 CE LYS A 57 0.529 12.303 -4.873 1.00 4.47 C ATOM 905 NZ LYS A 57 -0.333 13.431 -5.329 1.00 4.43 N ATOM 0 H LYS A 57 -2.062 8.023 -7.017 1.00 2.19 H new ATOM 0 HA LYS A 57 -1.900 9.901 -8.384 1.00 2.05 H new ATOM 0 HB2 LYS A 57 0.686 10.227 -6.775 1.00 2.54 H new ATOM 0 HB3 LYS A 57 -0.270 11.518 -7.477 1.00 2.54 H new ATOM 0 HG2 LYS A 57 -1.997 11.308 -5.871 1.00 3.33 H new ATOM 0 HG3 LYS A 57 -1.619 9.633 -5.524 1.00 3.33 H new ATOM 0 HD2 LYS A 57 -0.941 11.255 -3.680 1.00 4.29 H new ATOM 0 HD3 LYS A 57 0.364 10.236 -4.255 1.00 4.29 H new ATOM 0 HE2 LYS A 57 1.094 12.609 -3.993 1.00 4.47 H new ATOM 0 HE3 LYS A 57 1.255 12.062 -5.650 1.00 4.47 H new ATOM 0 HZ1 LYS A 57 0.255 14.272 -5.495 1.00 4.43 H new ATOM 0 HZ2 LYS A 57 -0.815 13.165 -6.212 1.00 4.43 H new ATOM 0 HZ3 LYS A 57 -1.042 13.643 -4.598 1.00 4.43 H new ATOM 919 N ALA A 58 0.733 10.393 -9.572 1.00 1.94 N ATOM 920 CA ALA A 58 1.669 10.283 -10.732 1.00 1.82 C ATOM 921 C ALA A 58 2.988 11.001 -10.434 1.00 1.79 C ATOM 922 O ALA A 58 4.036 10.429 -10.641 1.00 2.07 O ATOM 923 CB ALA A 58 1.012 10.865 -11.996 1.00 2.11 C ATOM 0 H ALA A 58 0.729 11.295 -9.097 1.00 1.94 H new ATOM 0 HA ALA A 58 1.888 9.229 -10.903 1.00 1.82 H new ATOM 0 HB1 ALA A 58 1.701 10.781 -12.836 1.00 2.11 H new ATOM 0 HB2 ALA A 58 0.099 10.313 -12.219 1.00 2.11 H new ATOM 0 HB3 ALA A 58 0.770 11.915 -11.830 1.00 2.11 H new ATOM 929 N GLU A 59 2.897 12.226 -9.939 1.00 2.23 N ATOM 930 CA GLU A 59 4.125 13.046 -9.619 1.00 2.48 C ATOM 931 C GLU A 59 5.412 12.206 -9.627 1.00 2.29 C ATOM 932 O GLU A 59 6.193 12.287 -10.552 1.00 3.14 O ATOM 933 CB GLU A 59 3.946 13.714 -8.242 1.00 2.94 C ATOM 934 CG GLU A 59 2.821 14.767 -8.308 1.00 3.53 C ATOM 935 CD GLU A 59 1.623 14.323 -7.466 1.00 4.15 C ATOM 936 OE1 GLU A 59 1.037 13.313 -7.832 1.00 4.16 O ATOM 937 OE2 GLU A 59 1.340 15.008 -6.490 1.00 5.30 O ATOM 0 H GLU A 59 2.014 12.696 -9.742 1.00 2.23 H new ATOM 0 HA GLU A 59 4.230 13.801 -10.398 1.00 2.48 H new ATOM 0 HB2 GLU A 59 3.706 12.961 -7.492 1.00 2.94 H new ATOM 0 HB3 GLU A 59 4.879 14.186 -7.934 1.00 2.94 H new ATOM 0 HG2 GLU A 59 3.191 15.727 -7.947 1.00 3.53 H new ATOM 0 HG3 GLU A 59 2.512 14.913 -9.343 1.00 3.53 H new ATOM 944 N ASP A 60 5.586 11.414 -8.606 1.00 2.09 N ATOM 945 CA ASP A 60 6.788 10.537 -8.505 1.00 2.61 C ATOM 946 C ASP A 60 6.341 9.137 -8.087 1.00 2.05 C ATOM 947 O ASP A 60 6.755 8.625 -7.065 1.00 2.35 O ATOM 948 CB ASP A 60 7.759 11.124 -7.472 1.00 4.09 C ATOM 949 CG ASP A 60 8.736 12.057 -8.177 1.00 6.09 C ATOM 950 OD1 ASP A 60 8.365 13.201 -8.368 1.00 6.68 O ATOM 951 OD2 ASP A 60 9.792 11.566 -8.519 1.00 7.32 O ATOM 0 H ASP A 60 4.936 11.336 -7.824 1.00 2.09 H new ATOM 0 HA ASP A 60 7.298 10.478 -9.467 1.00 2.61 H new ATOM 0 HB2 ASP A 60 7.208 11.668 -6.705 1.00 4.09 H new ATOM 0 HB3 ASP A 60 8.301 10.323 -6.968 1.00 4.09 H new ATOM 956 N ILE A 61 5.476 8.548 -8.873 1.00 1.48 N ATOM 957 CA ILE A 61 4.989 7.173 -8.524 1.00 1.25 C ATOM 958 C ILE A 61 6.172 6.261 -8.191 1.00 1.03 C ATOM 959 O ILE A 61 6.184 5.622 -7.158 1.00 1.55 O ATOM 960 CB ILE A 61 4.216 6.524 -9.690 1.00 1.24 C ATOM 961 CG1 ILE A 61 3.275 7.519 -10.346 1.00 1.77 C ATOM 962 CG2 ILE A 61 3.397 5.356 -9.130 1.00 2.05 C ATOM 963 CD1 ILE A 61 2.554 6.851 -11.523 1.00 2.25 C ATOM 0 H ILE A 61 5.090 8.949 -9.728 1.00 1.48 H new ATOM 0 HA ILE A 61 4.326 7.284 -7.666 1.00 1.25 H new ATOM 0 HB ILE A 61 4.928 6.182 -10.441 1.00 1.24 H new ATOM 0 HG12 ILE A 61 2.547 7.880 -9.619 1.00 1.77 H new ATOM 0 HG13 ILE A 61 3.834 8.387 -10.695 1.00 1.77 H new ATOM 0 HG21 ILE A 61 2.841 4.881 -9.938 1.00 2.05 H new ATOM 0 HG22 ILE A 61 4.067 4.628 -8.674 1.00 2.05 H new ATOM 0 HG23 ILE A 61 2.700 5.728 -8.379 1.00 2.05 H new ATOM 0 HD11 ILE A 61 1.880 7.568 -11.991 1.00 2.25 H new ATOM 0 HD12 ILE A 61 3.288 6.512 -12.254 1.00 2.25 H new ATOM 0 HD13 ILE A 61 1.981 5.997 -11.161 1.00 2.25 H new ATOM 975 N LEU A 62 7.111 6.215 -9.112 1.00 0.97 N ATOM 976 CA LEU A 62 8.326 5.359 -8.951 1.00 0.95 C ATOM 977 C LEU A 62 8.669 5.099 -7.490 1.00 0.91 C ATOM 978 O LEU A 62 8.475 4.014 -7.032 1.00 1.19 O ATOM 979 CB LEU A 62 9.529 6.014 -9.643 1.00 1.27 C ATOM 980 CG LEU A 62 10.791 5.147 -9.446 1.00 2.48 C ATOM 981 CD1 LEU A 62 10.615 3.772 -10.108 1.00 3.54 C ATOM 982 CD2 LEU A 62 11.997 5.860 -10.065 1.00 3.13 C ATOM 0 H LEU A 62 7.082 6.746 -9.982 1.00 0.97 H new ATOM 0 HA LEU A 62 8.099 4.399 -9.415 1.00 0.95 H new ATOM 0 HB2 LEU A 62 9.325 6.136 -10.707 1.00 1.27 H new ATOM 0 HB3 LEU A 62 9.695 7.011 -9.234 1.00 1.27 H new ATOM 0 HG LEU A 62 10.952 5.000 -8.378 1.00 2.48 H new ATOM 0 HD11 LEU A 62 11.516 3.177 -9.957 1.00 3.54 H new ATOM 0 HD12 LEU A 62 9.763 3.260 -9.661 1.00 3.54 H new ATOM 0 HD13 LEU A 62 10.441 3.902 -11.176 1.00 3.54 H new ATOM 0 HD21 LEU A 62 12.890 5.250 -9.928 1.00 3.13 H new ATOM 0 HD22 LEU A 62 11.822 6.013 -11.130 1.00 3.13 H new ATOM 0 HD23 LEU A 62 12.138 6.825 -9.578 1.00 3.13 H new ATOM 994 N ALA A 63 9.129 6.102 -6.795 1.00 1.26 N ATOM 995 CA ALA A 63 9.504 5.913 -5.357 1.00 1.36 C ATOM 996 C ALA A 63 8.538 4.997 -4.608 1.00 1.25 C ATOM 997 O ALA A 63 8.956 4.177 -3.813 1.00 1.50 O ATOM 998 CB ALA A 63 9.546 7.279 -4.671 1.00 1.66 C ATOM 0 H ALA A 63 9.263 7.046 -7.157 1.00 1.26 H new ATOM 0 HA ALA A 63 10.482 5.433 -5.333 1.00 1.36 H new ATOM 0 HB1 ALA A 63 9.818 7.152 -3.623 1.00 1.66 H new ATOM 0 HB2 ALA A 63 10.285 7.911 -5.164 1.00 1.66 H new ATOM 0 HB3 ALA A 63 8.565 7.749 -4.736 1.00 1.66 H new ATOM 1004 N VAL A 64 7.280 5.153 -4.871 1.00 1.16 N ATOM 1005 CA VAL A 64 6.285 4.290 -4.184 1.00 1.15 C ATOM 1006 C VAL A 64 6.323 2.885 -4.796 1.00 0.86 C ATOM 1007 O VAL A 64 6.212 1.910 -4.071 1.00 0.83 O ATOM 1008 CB VAL A 64 4.901 4.904 -4.350 1.00 1.39 C ATOM 1009 CG1 VAL A 64 3.867 3.983 -3.681 1.00 1.48 C ATOM 1010 CG2 VAL A 64 4.875 6.287 -3.683 1.00 1.79 C ATOM 0 H VAL A 64 6.896 5.834 -5.526 1.00 1.16 H new ATOM 0 HA VAL A 64 6.519 4.216 -3.122 1.00 1.15 H new ATOM 0 HB VAL A 64 4.664 5.014 -5.408 1.00 1.39 H new ATOM 0 HG11 VAL A 64 2.871 4.412 -3.793 1.00 1.48 H new ATOM 0 HG12 VAL A 64 3.894 3.001 -4.154 1.00 1.48 H new ATOM 0 HG13 VAL A 64 4.101 3.882 -2.621 1.00 1.48 H new ATOM 0 HG21 VAL A 64 3.886 6.729 -3.800 1.00 1.79 H new ATOM 0 HG22 VAL A 64 5.103 6.184 -2.622 1.00 1.79 H new ATOM 0 HG23 VAL A 64 5.618 6.931 -4.153 1.00 1.79 H new ATOM 1020 N GLU A 65 6.431 2.814 -6.109 1.00 0.77 N ATOM 1021 CA GLU A 65 6.496 1.471 -6.783 1.00 0.74 C ATOM 1022 C GLU A 65 7.740 0.776 -6.231 1.00 0.69 C ATOM 1023 O GLU A 65 7.700 -0.335 -5.730 1.00 0.77 O ATOM 1024 CB GLU A 65 6.613 1.646 -8.314 1.00 0.89 C ATOM 1025 CG GLU A 65 5.500 2.589 -8.808 1.00 1.46 C ATOM 1026 CD GLU A 65 5.417 2.611 -10.346 1.00 1.78 C ATOM 1027 OE1 GLU A 65 5.138 1.562 -10.902 1.00 2.15 O ATOM 1028 OE2 GLU A 65 5.574 3.686 -10.906 1.00 3.11 O ATOM 0 H GLU A 65 6.476 3.618 -6.735 1.00 0.77 H new ATOM 0 HA GLU A 65 5.597 0.885 -6.590 1.00 0.74 H new ATOM 0 HB2 GLU A 65 7.591 2.054 -8.571 1.00 0.89 H new ATOM 0 HB3 GLU A 65 6.531 0.678 -8.809 1.00 0.89 H new ATOM 0 HG2 GLU A 65 4.543 2.270 -8.396 1.00 1.46 H new ATOM 0 HG3 GLU A 65 5.686 3.597 -8.439 1.00 1.46 H new ATOM 1035 N ASP A 66 8.819 1.507 -6.282 1.00 0.77 N ATOM 1036 CA ASP A 66 10.097 1.018 -5.771 1.00 0.98 C ATOM 1037 C ASP A 66 9.865 0.575 -4.342 1.00 0.92 C ATOM 1038 O ASP A 66 10.248 -0.505 -3.972 1.00 0.94 O ATOM 1039 CB ASP A 66 11.066 2.192 -5.826 1.00 1.21 C ATOM 1040 CG ASP A 66 12.029 2.048 -7.000 1.00 2.83 C ATOM 1041 OD1 ASP A 66 12.540 0.947 -7.151 1.00 3.98 O ATOM 1042 OD2 ASP A 66 12.227 3.054 -7.653 1.00 3.57 O ATOM 0 H ASP A 66 8.852 2.449 -6.671 1.00 0.77 H new ATOM 0 HA ASP A 66 10.500 0.183 -6.344 1.00 0.98 H new ATOM 0 HB2 ASP A 66 10.509 3.124 -5.919 1.00 1.21 H new ATOM 0 HB3 ASP A 66 11.628 2.249 -4.894 1.00 1.21 H new ATOM 1047 N PHE A 67 9.253 1.443 -3.569 1.00 0.88 N ATOM 1048 CA PHE A 67 8.948 1.091 -2.150 1.00 0.88 C ATOM 1049 C PHE A 67 8.279 -0.282 -2.095 1.00 0.81 C ATOM 1050 O PHE A 67 8.507 -1.046 -1.166 1.00 0.81 O ATOM 1051 CB PHE A 67 8.004 2.130 -1.552 1.00 0.89 C ATOM 1052 CG PHE A 67 7.861 1.875 -0.044 1.00 1.01 C ATOM 1053 CD1 PHE A 67 8.738 2.457 0.856 1.00 1.28 C ATOM 1054 CD2 PHE A 67 6.861 1.044 0.434 1.00 0.96 C ATOM 1055 CE1 PHE A 67 8.613 2.211 2.208 1.00 1.38 C ATOM 1056 CE2 PHE A 67 6.736 0.804 1.785 1.00 1.09 C ATOM 1057 CZ PHE A 67 7.612 1.384 2.671 1.00 1.26 C ATOM 0 H PHE A 67 8.954 2.374 -3.860 1.00 0.88 H new ATOM 0 HA PHE A 67 9.877 1.071 -1.581 1.00 0.88 H new ATOM 0 HB2 PHE A 67 8.391 3.134 -1.728 1.00 0.89 H new ATOM 0 HB3 PHE A 67 7.029 2.074 -2.036 1.00 0.89 H new ATOM 0 HD1 PHE A 67 9.523 3.106 0.498 1.00 1.28 H new ATOM 0 HD2 PHE A 67 6.174 0.580 -0.258 1.00 0.96 H new ATOM 0 HE1 PHE A 67 9.301 2.667 2.905 1.00 1.38 H new ATOM 0 HE2 PHE A 67 5.949 0.160 2.148 1.00 1.09 H new ATOM 0 HZ PHE A 67 7.516 1.192 3.729 1.00 1.26 H new ATOM 1067 N LEU A 68 7.410 -0.532 -3.057 1.00 0.85 N ATOM 1068 CA LEU A 68 6.734 -1.866 -3.090 1.00 0.86 C ATOM 1069 C LEU A 68 7.814 -2.914 -3.379 1.00 0.84 C ATOM 1070 O LEU A 68 8.224 -3.628 -2.489 1.00 1.19 O ATOM 1071 CB LEU A 68 5.651 -1.933 -4.201 1.00 1.02 C ATOM 1072 CG LEU A 68 4.535 -0.898 -3.973 1.00 1.21 C ATOM 1073 CD1 LEU A 68 3.567 -0.912 -5.169 1.00 1.42 C ATOM 1074 CD2 LEU A 68 3.751 -1.235 -2.703 1.00 1.27 C ATOM 0 H LEU A 68 7.149 0.116 -3.800 1.00 0.85 H new ATOM 0 HA LEU A 68 6.237 -2.044 -2.136 1.00 0.86 H new ATOM 0 HB2 LEU A 68 6.115 -1.760 -5.172 1.00 1.02 H new ATOM 0 HB3 LEU A 68 5.219 -2.933 -4.228 1.00 1.02 H new ATOM 0 HG LEU A 68 4.990 0.087 -3.869 1.00 1.21 H new ATOM 0 HD11 LEU A 68 2.777 -0.179 -5.006 1.00 1.42 H new ATOM 0 HD12 LEU A 68 4.111 -0.663 -6.080 1.00 1.42 H new ATOM 0 HD13 LEU A 68 3.126 -1.904 -5.269 1.00 1.42 H new ATOM 0 HD21 LEU A 68 2.965 -0.495 -2.554 1.00 1.27 H new ATOM 0 HD22 LEU A 68 3.304 -2.224 -2.803 1.00 1.27 H new ATOM 0 HD23 LEU A 68 4.425 -1.226 -1.846 1.00 1.27 H new ATOM 1086 N GLU A 69 8.276 -2.929 -4.609 1.00 1.11 N ATOM 1087 CA GLU A 69 9.343 -3.890 -5.052 1.00 1.14 C ATOM 1088 C GLU A 69 10.398 -4.108 -3.970 1.00 1.14 C ATOM 1089 O GLU A 69 10.633 -5.216 -3.534 1.00 1.22 O ATOM 1090 CB GLU A 69 9.996 -3.308 -6.321 1.00 1.20 C ATOM 1091 CG GLU A 69 9.220 -3.740 -7.580 1.00 2.03 C ATOM 1092 CD GLU A 69 7.710 -3.578 -7.366 1.00 3.24 C ATOM 1093 OE1 GLU A 69 7.142 -4.484 -6.783 1.00 4.10 O ATOM 1094 OE2 GLU A 69 7.204 -2.561 -7.783 1.00 4.28 O ATOM 0 H GLU A 69 7.950 -2.300 -5.343 1.00 1.11 H new ATOM 0 HA GLU A 69 8.893 -4.862 -5.252 1.00 1.14 H new ATOM 0 HB2 GLU A 69 10.019 -2.220 -6.258 1.00 1.20 H new ATOM 0 HB3 GLU A 69 11.030 -3.646 -6.391 1.00 1.20 H new ATOM 0 HG2 GLU A 69 9.538 -3.141 -8.433 1.00 2.03 H new ATOM 0 HG3 GLU A 69 9.450 -4.779 -7.817 1.00 2.03 H new ATOM 1101 N GLN A 70 11.024 -3.026 -3.589 1.00 1.12 N ATOM 1102 CA GLN A 70 12.083 -3.075 -2.534 1.00 1.21 C ATOM 1103 C GLN A 70 11.660 -3.987 -1.382 1.00 1.26 C ATOM 1104 O GLN A 70 12.465 -4.740 -0.875 1.00 1.44 O ATOM 1105 CB GLN A 70 12.344 -1.664 -1.962 1.00 1.28 C ATOM 1106 CG GLN A 70 13.797 -1.216 -2.229 1.00 1.83 C ATOM 1107 CD GLN A 70 13.985 -0.671 -3.656 1.00 3.09 C ATOM 1108 OE1 GLN A 70 15.075 -0.291 -4.032 1.00 4.24 O ATOM 1109 NE2 GLN A 70 12.974 -0.597 -4.471 1.00 3.71 N ATOM 0 H GLN A 70 10.845 -2.096 -3.969 1.00 1.12 H new ATOM 0 HA GLN A 70 12.989 -3.463 -2.999 1.00 1.21 H new ATOM 0 HB2 GLN A 70 11.652 -0.952 -2.412 1.00 1.28 H new ATOM 0 HB3 GLN A 70 12.151 -1.662 -0.889 1.00 1.28 H new ATOM 0 HG2 GLN A 70 14.076 -0.447 -1.509 1.00 1.83 H new ATOM 0 HG3 GLN A 70 14.470 -2.059 -2.072 1.00 1.83 H new ATOM 0 HE21 GLN A 70 12.052 -0.912 -4.170 1.00 3.71 H new ATOM 0 HE22 GLN A 70 13.103 -0.224 -5.411 1.00 3.71 H new ATOM 1118 N ASN A 71 10.423 -3.861 -0.973 1.00 1.20 N ATOM 1119 CA ASN A 71 9.921 -4.693 0.151 1.00 1.32 C ATOM 1120 C ASN A 71 8.817 -5.628 -0.322 1.00 1.35 C ATOM 1121 O ASN A 71 7.942 -5.959 0.457 1.00 1.53 O ATOM 1122 CB ASN A 71 9.332 -3.755 1.195 1.00 1.32 C ATOM 1123 CG ASN A 71 10.341 -2.682 1.566 1.00 1.48 C ATOM 1124 OD1 ASN A 71 11.370 -2.953 2.146 1.00 2.67 O ATOM 1125 ND2 ASN A 71 10.093 -1.451 1.232 1.00 1.58 N ATOM 0 H ASN A 71 9.742 -3.216 -1.372 1.00 1.20 H new ATOM 0 HA ASN A 71 10.741 -5.288 0.555 1.00 1.32 H new ATOM 0 HB2 ASN A 71 8.424 -3.292 0.808 1.00 1.32 H new ATOM 0 HB3 ASN A 71 9.048 -4.320 2.083 1.00 1.32 H new ATOM 0 HD21 ASN A 71 10.763 -0.716 1.458 1.00 1.58 H new ATOM 0 HD22 ASN A 71 9.228 -1.219 0.744 1.00 1.58 H new ATOM 1132 N GLU A 72 8.925 -6.062 -1.561 1.00 1.40 N ATOM 1133 CA GLU A 72 7.904 -6.969 -2.187 1.00 1.52 C ATOM 1134 C GLU A 72 6.616 -7.035 -1.361 1.00 1.36 C ATOM 1135 O GLU A 72 6.251 -8.075 -0.827 1.00 1.61 O ATOM 1136 CB GLU A 72 8.474 -8.383 -2.333 1.00 1.89 C ATOM 1137 CG GLU A 72 9.484 -8.457 -3.496 1.00 2.79 C ATOM 1138 CD GLU A 72 9.774 -9.933 -3.849 1.00 3.39 C ATOM 1139 OE1 GLU A 72 8.911 -10.755 -3.561 1.00 3.85 O ATOM 1140 OE2 GLU A 72 10.839 -10.171 -4.402 1.00 4.23 O ATOM 0 H GLU A 72 9.699 -5.818 -2.179 1.00 1.40 H new ATOM 0 HA GLU A 72 7.664 -6.556 -3.167 1.00 1.52 H new ATOM 0 HB2 GLU A 72 8.962 -8.680 -1.404 1.00 1.89 H new ATOM 0 HB3 GLU A 72 7.662 -9.090 -2.507 1.00 1.89 H new ATOM 0 HG2 GLU A 72 9.087 -7.937 -4.368 1.00 2.79 H new ATOM 0 HG3 GLU A 72 10.409 -7.952 -3.218 1.00 2.79 H new ATOM 1147 N LEU A 73 5.912 -5.934 -1.319 1.00 1.21 N ATOM 1148 CA LEU A 73 4.655 -5.905 -0.528 1.00 1.11 C ATOM 1149 C LEU A 73 3.498 -6.492 -1.355 1.00 1.31 C ATOM 1150 O LEU A 73 2.343 -6.220 -1.097 1.00 2.54 O ATOM 1151 CB LEU A 73 4.351 -4.444 -0.137 1.00 1.02 C ATOM 1152 CG LEU A 73 5.544 -3.764 0.591 1.00 1.41 C ATOM 1153 CD1 LEU A 73 5.182 -2.306 0.898 1.00 2.56 C ATOM 1154 CD2 LEU A 73 5.856 -4.436 1.941 1.00 2.02 C ATOM 0 H LEU A 73 6.153 -5.064 -1.794 1.00 1.21 H new ATOM 0 HA LEU A 73 4.769 -6.508 0.373 1.00 1.11 H new ATOM 0 HB2 LEU A 73 4.104 -3.875 -1.033 1.00 1.02 H new ATOM 0 HB3 LEU A 73 3.473 -4.419 0.509 1.00 1.02 H new ATOM 0 HG LEU A 73 6.409 -3.847 -0.066 1.00 1.41 H new ATOM 0 HD11 LEU A 73 6.016 -1.824 1.409 1.00 2.56 H new ATOM 0 HD12 LEU A 73 4.973 -1.779 -0.033 1.00 2.56 H new ATOM 0 HD13 LEU A 73 4.299 -2.277 1.537 1.00 2.56 H new ATOM 0 HD21 LEU A 73 6.696 -3.928 2.415 1.00 2.02 H new ATOM 0 HD22 LEU A 73 4.982 -4.373 2.589 1.00 2.02 H new ATOM 0 HD23 LEU A 73 6.111 -5.483 1.776 1.00 2.02 H new ATOM 1166 N GLN A 74 3.864 -7.381 -2.250 1.00 1.40 N ATOM 1167 CA GLN A 74 2.880 -8.065 -3.157 1.00 1.53 C ATOM 1168 C GLN A 74 1.845 -7.109 -3.796 1.00 1.46 C ATOM 1169 O GLN A 74 1.815 -5.924 -3.531 1.00 2.30 O ATOM 1170 CB GLN A 74 2.139 -9.135 -2.329 1.00 1.64 C ATOM 1171 CG GLN A 74 3.140 -10.018 -1.561 1.00 1.82 C ATOM 1172 CD GLN A 74 4.203 -10.567 -2.514 1.00 3.21 C ATOM 1173 OE1 GLN A 74 3.894 -11.230 -3.480 1.00 4.21 O ATOM 1174 NE2 GLN A 74 5.457 -10.303 -2.292 1.00 4.14 N ATOM 0 H GLN A 74 4.832 -7.670 -2.394 1.00 1.40 H new ATOM 0 HA GLN A 74 3.443 -8.497 -3.985 1.00 1.53 H new ATOM 0 HB2 GLN A 74 1.459 -8.652 -1.627 1.00 1.64 H new ATOM 0 HB3 GLN A 74 1.530 -9.755 -2.988 1.00 1.64 H new ATOM 0 HG2 GLN A 74 3.615 -9.437 -0.770 1.00 1.82 H new ATOM 0 HG3 GLN A 74 2.614 -10.842 -1.079 1.00 1.82 H new ATOM 0 HE21 GLN A 74 5.725 -9.746 -1.481 1.00 4.14 H new ATOM 0 HE22 GLN A 74 6.172 -10.653 -2.929 1.00 4.14 H new ATOM 1183 N TYR A 75 1.029 -7.670 -4.662 1.00 2.05 N ATOM 1184 CA TYR A 75 -0.059 -6.902 -5.358 1.00 2.20 C ATOM 1185 C TYR A 75 -0.523 -7.672 -6.589 1.00 2.39 C ATOM 1186 O TYR A 75 0.246 -8.373 -7.211 1.00 2.40 O ATOM 1187 CB TYR A 75 0.378 -5.475 -5.792 1.00 2.47 C ATOM 1188 CG TYR A 75 1.723 -5.462 -6.539 1.00 2.36 C ATOM 1189 CD1 TYR A 75 1.864 -6.057 -7.778 1.00 2.72 C ATOM 1190 CD2 TYR A 75 2.804 -4.787 -6.002 1.00 2.36 C ATOM 1191 CE1 TYR A 75 3.054 -5.974 -8.464 1.00 2.61 C ATOM 1192 CE2 TYR A 75 3.994 -4.705 -6.694 1.00 2.41 C ATOM 1193 CZ TYR A 75 4.123 -5.297 -7.932 1.00 2.29 C ATOM 1194 OH TYR A 75 5.291 -5.204 -8.644 1.00 2.37 O ATOM 0 H TYR A 75 1.074 -8.655 -4.922 1.00 2.05 H new ATOM 0 HA TYR A 75 -0.869 -6.789 -4.637 1.00 2.20 H new ATOM 0 HB2 TYR A 75 -0.392 -5.044 -6.432 1.00 2.47 H new ATOM 0 HB3 TYR A 75 0.452 -4.839 -4.910 1.00 2.47 H new ATOM 0 HD1 TYR A 75 1.032 -6.592 -8.212 1.00 2.72 H new ATOM 0 HD2 TYR A 75 2.715 -4.320 -5.032 1.00 2.36 H new ATOM 0 HE1 TYR A 75 3.148 -6.446 -9.431 1.00 2.61 H new ATOM 0 HE2 TYR A 75 4.830 -4.174 -6.263 1.00 2.41 H new ATOM 0 HH TYR A 75 6.053 -5.293 -8.035 1.00 2.37 H new ATOM 1204 N GLU A 76 -1.782 -7.531 -6.875 1.00 2.63 N ATOM 1205 CA GLU A 76 -2.397 -8.212 -8.043 1.00 2.94 C ATOM 1206 C GLU A 76 -2.937 -7.138 -8.990 1.00 3.03 C ATOM 1207 O GLU A 76 -4.079 -6.712 -8.866 1.00 3.95 O ATOM 1208 CB GLU A 76 -3.551 -9.073 -7.545 1.00 2.97 C ATOM 1209 CG GLU A 76 -3.048 -10.266 -6.716 1.00 3.03 C ATOM 1210 CD GLU A 76 -4.150 -10.670 -5.739 1.00 3.65 C ATOM 1211 OE1 GLU A 76 -5.108 -11.262 -6.206 1.00 4.28 O ATOM 1212 OE2 GLU A 76 -4.026 -10.277 -4.592 1.00 4.21 O ATOM 0 H GLU A 76 -2.428 -6.957 -6.334 1.00 2.63 H new ATOM 0 HA GLU A 76 -1.668 -8.835 -8.561 1.00 2.94 H new ATOM 0 HB2 GLU A 76 -4.224 -8.466 -6.939 1.00 2.97 H new ATOM 0 HB3 GLU A 76 -4.128 -9.437 -8.395 1.00 2.97 H new ATOM 0 HG2 GLU A 76 -2.794 -11.101 -7.368 1.00 3.03 H new ATOM 0 HG3 GLU A 76 -2.141 -9.997 -6.175 1.00 3.03 H new ATOM 1219 N VAL A 77 -2.106 -6.711 -9.896 1.00 2.20 N ATOM 1220 CA VAL A 77 -2.543 -5.657 -10.860 1.00 2.28 C ATOM 1221 C VAL A 77 -3.221 -6.332 -12.065 1.00 2.33 C ATOM 1222 O VAL A 77 -3.103 -7.531 -12.247 1.00 2.94 O ATOM 1223 CB VAL A 77 -1.299 -4.854 -11.310 1.00 2.16 C ATOM 1224 CG1 VAL A 77 -1.727 -3.547 -11.996 1.00 2.43 C ATOM 1225 CG2 VAL A 77 -0.436 -4.503 -10.086 1.00 2.59 C ATOM 0 H VAL A 77 -1.148 -7.041 -10.014 1.00 2.20 H new ATOM 0 HA VAL A 77 -3.256 -4.977 -10.394 1.00 2.28 H new ATOM 0 HB VAL A 77 -0.729 -5.466 -12.010 1.00 2.16 H new ATOM 0 HG11 VAL A 77 -0.842 -2.993 -12.307 1.00 2.43 H new ATOM 0 HG12 VAL A 77 -2.337 -3.777 -12.870 1.00 2.43 H new ATOM 0 HG13 VAL A 77 -2.307 -2.943 -11.298 1.00 2.43 H new ATOM 0 HG21 VAL A 77 0.439 -3.938 -10.408 1.00 2.59 H new ATOM 0 HG22 VAL A 77 -1.020 -3.902 -9.389 1.00 2.59 H new ATOM 0 HG23 VAL A 77 -0.114 -5.420 -9.593 1.00 2.59 H new