USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 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 45 GLN : amide:sc= 0.842 K(o=3.3,f=-8.3!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -127:sc= 2.43 (180deg=-0.203) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.431 K(o=0.43,f=-2.8!) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.85 F(o=-3.5!,f=-0.85) USER MOD Single : A 24 SER OG : rot 85:sc= 0.848 USER MOD Single : A 27 HIS : no HE2:sc= -5.29! C(o=-5.3!,f=-6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0.157 USER MOD Single : A 32 THR OG1 : rot 137:sc= 0.6 USER MOD Single : A 34 GLN : amide:sc= -0.139 K(o=-0.14,f=-5.3!) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= -0.549 (180deg=-2.09!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -89:sc= 1.18 USER MOD Single : A 49 HIS : no HD1:sc= -0.455 X(o=-0.45,f=-0.45) USER MOD Single : A 50 SER OG : rot 180:sc= -0.473 USER MOD Single : A 51 THR OG1 : rot -120:sc= -0.55! USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= -0.317 (180deg=-0.34) USER MOD Single : A 70 GLN : amide:sc= -1.63! X(o=-1.6!,f=-1.6) USER MOD Single : A 71 ASN : amide:sc= -5.41! C(o=-5.4!,f=-9!) USER MOD Single : A 74 GLN :FLIP amide:sc= -2.41! C(o=-5.8!,f=-2.4!) USER MOD Single : A 75 TYR OH : rot -11:sc= 0.396 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 11 -3.622 4.618 -12.330 1.00 2.36 N ATOM 145 CA LYS A 11 -3.440 3.146 -12.211 1.00 2.19 C ATOM 146 C LYS A 11 -3.393 2.886 -10.739 1.00 1.67 C ATOM 147 O LYS A 11 -2.434 3.114 -10.038 1.00 1.68 O ATOM 148 CB LYS A 11 -2.166 2.651 -12.789 1.00 2.21 C ATOM 149 CG LYS A 11 -2.379 1.711 -13.988 1.00 3.44 C ATOM 150 CD LYS A 11 -2.837 2.472 -15.243 1.00 4.65 C ATOM 151 CE LYS A 11 -1.667 3.246 -15.875 1.00 4.62 C ATOM 152 NZ LYS A 11 -2.154 4.065 -17.021 1.00 6.37 N ATOM 0 HA LYS A 11 -4.243 2.642 -12.749 1.00 2.19 H new ATOM 0 HB2 LYS A 11 -1.561 3.501 -13.103 1.00 2.21 H new ATOM 0 HB3 LYS A 11 -1.602 2.126 -12.018 1.00 2.21 H new ATOM 0 HG2 LYS A 11 -1.450 1.182 -14.203 1.00 3.44 H new ATOM 0 HG3 LYS A 11 -3.123 0.957 -13.730 1.00 3.44 H new ATOM 0 HD2 LYS A 11 -3.248 1.770 -15.969 1.00 4.65 H new ATOM 0 HD3 LYS A 11 -3.637 3.165 -14.981 1.00 4.65 H new ATOM 0 HE2 LYS A 11 -1.202 3.891 -15.129 1.00 4.62 H new ATOM 0 HE3 LYS A 11 -0.901 2.549 -16.216 1.00 4.62 H new ATOM 0 HZ1 LYS A 11 -1.356 4.584 -17.441 1.00 6.37 H new ATOM 0 HZ2 LYS A 11 -2.577 3.442 -17.738 1.00 6.37 H new ATOM 0 HZ3 LYS A 11 -2.869 4.742 -16.685 1.00 6.37 H new ATOM 166 N VAL A 12 -4.399 2.262 -10.428 1.00 1.98 N ATOM 167 CA VAL A 12 -4.693 1.883 -9.003 1.00 1.79 C ATOM 168 C VAL A 12 -4.487 0.389 -8.810 1.00 1.86 C ATOM 169 O VAL A 12 -5.248 -0.407 -9.323 1.00 3.05 O ATOM 170 CB VAL A 12 -6.162 2.182 -8.602 1.00 2.62 C ATOM 171 CG1 VAL A 12 -6.272 2.203 -7.056 1.00 3.71 C ATOM 172 CG2 VAL A 12 -6.637 3.523 -9.169 1.00 3.35 C ATOM 0 H VAL A 12 -5.105 1.955 -11.097 1.00 1.98 H new ATOM 0 HA VAL A 12 -4.017 2.474 -8.385 1.00 1.79 H new ATOM 0 HB VAL A 12 -6.797 1.399 -9.016 1.00 2.62 H new ATOM 0 HG11 VAL A 12 -7.302 2.413 -6.767 1.00 3.71 H new ATOM 0 HG12 VAL A 12 -5.973 1.234 -6.657 1.00 3.71 H new ATOM 0 HG13 VAL A 12 -5.618 2.977 -6.655 1.00 3.71 H new ATOM 0 HG21 VAL A 12 -7.670 3.700 -8.868 1.00 3.35 H new ATOM 0 HG22 VAL A 12 -6.005 4.324 -8.786 1.00 3.35 H new ATOM 0 HG23 VAL A 12 -6.575 3.501 -10.257 1.00 3.35 H new ATOM 182 N PHE A 13 -3.480 0.030 -8.084 1.00 1.11 N ATOM 183 CA PHE A 13 -3.248 -1.422 -7.847 1.00 1.47 C ATOM 184 C PHE A 13 -3.350 -1.668 -6.342 1.00 0.88 C ATOM 185 O PHE A 13 -3.704 -0.754 -5.606 1.00 0.94 O ATOM 186 CB PHE A 13 -1.893 -1.855 -8.430 1.00 2.40 C ATOM 187 CG PHE A 13 -0.914 -0.686 -8.563 1.00 1.57 C ATOM 188 CD1 PHE A 13 -1.077 0.259 -9.565 1.00 2.10 C ATOM 189 CD2 PHE A 13 0.226 -0.655 -7.783 1.00 1.49 C ATOM 190 CE1 PHE A 13 -0.110 1.206 -9.790 1.00 1.81 C ATOM 191 CE2 PHE A 13 1.189 0.293 -8.014 1.00 1.72 C ATOM 192 CZ PHE A 13 1.027 1.220 -9.020 1.00 1.43 C ATOM 0 H PHE A 13 -2.811 0.663 -7.646 1.00 1.11 H new ATOM 0 HA PHE A 13 -3.998 -2.028 -8.355 1.00 1.47 H new ATOM 0 HB2 PHE A 13 -1.454 -2.622 -7.791 1.00 2.40 H new ATOM 0 HB3 PHE A 13 -2.050 -2.307 -9.409 1.00 2.40 H new ATOM 0 HD1 PHE A 13 -1.970 0.249 -10.172 1.00 2.10 H new ATOM 0 HD2 PHE A 13 0.358 -1.378 -6.991 1.00 1.49 H new ATOM 0 HE1 PHE A 13 -0.243 1.939 -10.572 1.00 1.81 H new ATOM 0 HE2 PHE A 13 2.080 0.313 -7.404 1.00 1.72 H new ATOM 0 HZ PHE A 13 1.794 1.958 -9.203 1.00 1.43 H new ATOM 202 N ARG A 14 -3.102 -2.876 -5.900 1.00 0.92 N ATOM 203 CA ARG A 14 -3.216 -3.115 -4.448 1.00 1.13 C ATOM 204 C ARG A 14 -2.039 -3.863 -3.832 1.00 0.97 C ATOM 205 O ARG A 14 -1.275 -4.527 -4.511 1.00 1.09 O ATOM 206 CB ARG A 14 -4.511 -3.886 -4.191 1.00 1.92 C ATOM 207 CG ARG A 14 -4.704 -5.045 -5.186 1.00 1.28 C ATOM 208 CD ARG A 14 -6.191 -5.126 -5.547 1.00 1.58 C ATOM 209 NE ARG A 14 -6.973 -5.414 -4.319 1.00 3.06 N ATOM 210 CZ ARG A 14 -7.809 -4.533 -3.870 1.00 4.57 C ATOM 211 NH1 ARG A 14 -8.899 -4.291 -4.534 1.00 5.13 N ATOM 212 NH2 ARG A 14 -7.521 -3.919 -2.763 1.00 6.15 N ATOM 0 H ARG A 14 -2.834 -3.679 -6.470 1.00 0.92 H new ATOM 0 HA ARG A 14 -3.219 -2.138 -3.965 1.00 1.13 H new ATOM 0 HB2 ARG A 14 -4.502 -4.279 -3.175 1.00 1.92 H new ATOM 0 HB3 ARG A 14 -5.358 -3.204 -4.261 1.00 1.92 H new ATOM 0 HG2 ARG A 14 -4.104 -4.881 -6.081 1.00 1.28 H new ATOM 0 HG3 ARG A 14 -4.368 -5.984 -4.745 1.00 1.28 H new ATOM 0 HD2 ARG A 14 -6.522 -4.188 -5.992 1.00 1.58 H new ATOM 0 HD3 ARG A 14 -6.356 -5.907 -6.290 1.00 1.58 H new ATOM 0 HE ARG A 14 -6.853 -6.302 -3.831 1.00 3.06 H new ATOM 0 HH11 ARG A 14 -9.090 -4.793 -5.401 1.00 5.13 H new ATOM 0 HH12 ARG A 14 -9.564 -3.599 -4.188 1.00 5.13 H new ATOM 0 HH21 ARG A 14 -6.654 -4.135 -2.270 1.00 6.15 H new ATOM 0 HH22 ARG A 14 -8.161 -3.220 -2.386 1.00 6.15 H new ATOM 226 N VAL A 15 -1.976 -3.747 -2.539 1.00 1.04 N ATOM 227 CA VAL A 15 -0.907 -4.414 -1.755 1.00 1.01 C ATOM 228 C VAL A 15 -1.581 -5.590 -1.067 1.00 0.97 C ATOM 229 O VAL A 15 -2.758 -5.489 -0.758 1.00 1.06 O ATOM 230 CB VAL A 15 -0.374 -3.426 -0.703 1.00 1.15 C ATOM 231 CG1 VAL A 15 0.976 -3.919 -0.184 1.00 1.61 C ATOM 232 CG2 VAL A 15 -0.213 -2.032 -1.329 1.00 1.25 C ATOM 0 H VAL A 15 -2.636 -3.205 -1.981 1.00 1.04 H new ATOM 0 HA VAL A 15 -0.072 -4.739 -2.376 1.00 1.01 H new ATOM 0 HB VAL A 15 -1.081 -3.363 0.124 1.00 1.15 H new ATOM 0 HG11 VAL A 15 1.356 -3.221 0.562 1.00 1.61 H new ATOM 0 HG12 VAL A 15 0.854 -4.903 0.269 1.00 1.61 H new ATOM 0 HG13 VAL A 15 1.682 -3.985 -1.012 1.00 1.61 H new ATOM 0 HG21 VAL A 15 0.165 -1.338 -0.579 1.00 1.25 H new ATOM 0 HG22 VAL A 15 0.490 -2.085 -2.160 1.00 1.25 H new ATOM 0 HG23 VAL A 15 -1.179 -1.683 -1.693 1.00 1.25 H new ATOM 242 N ASN A 16 -0.870 -6.642 -0.817 1.00 1.00 N ATOM 243 CA ASN A 16 -1.528 -7.803 -0.158 1.00 0.96 C ATOM 244 C ASN A 16 -1.244 -7.760 1.330 1.00 0.87 C ATOM 245 O ASN A 16 -0.184 -7.337 1.728 1.00 1.46 O ATOM 246 CB ASN A 16 -0.975 -9.087 -0.763 1.00 1.22 C ATOM 247 CG ASN A 16 -1.443 -9.211 -2.214 1.00 1.95 C ATOM 248 OD1 ASN A 16 -1.328 -8.295 -3.004 1.00 3.31 O ATOM 249 ND2 ASN A 16 -1.954 -10.332 -2.614 1.00 2.43 N ATOM 0 H ASN A 16 0.120 -6.754 -1.033 1.00 1.00 H new ATOM 0 HA ASN A 16 -2.606 -7.766 -0.312 1.00 0.96 H new ATOM 0 HB2 ASN A 16 0.114 -9.082 -0.720 1.00 1.22 H new ATOM 0 HB3 ASN A 16 -1.313 -9.948 -0.186 1.00 1.22 H new ATOM 0 HD21 ASN A 16 -2.255 -10.439 -3.583 1.00 2.43 H new ATOM 0 HD22 ASN A 16 -2.056 -11.108 -1.960 1.00 2.43 H new ATOM 256 N VAL A 17 -2.171 -8.247 2.091 1.00 0.69 N ATOM 257 CA VAL A 17 -2.007 -8.236 3.558 1.00 0.76 C ATOM 258 C VAL A 17 -1.949 -9.680 4.065 1.00 0.79 C ATOM 259 O VAL A 17 -2.940 -10.252 4.502 1.00 1.00 O ATOM 260 CB VAL A 17 -3.193 -7.471 4.182 1.00 0.92 C ATOM 261 CG1 VAL A 17 -2.784 -6.972 5.571 1.00 1.30 C ATOM 262 CG2 VAL A 17 -3.564 -6.258 3.310 1.00 1.46 C ATOM 0 H VAL A 17 -3.043 -8.656 1.756 1.00 0.69 H new ATOM 0 HA VAL A 17 -1.081 -7.736 3.842 1.00 0.76 H new ATOM 0 HB VAL A 17 -4.052 -8.139 4.251 1.00 0.92 H new ATOM 0 HG11 VAL A 17 -3.615 -6.429 6.022 1.00 1.30 H new ATOM 0 HG12 VAL A 17 -2.522 -7.822 6.200 1.00 1.30 H new ATOM 0 HG13 VAL A 17 -1.924 -6.309 5.481 1.00 1.30 H new ATOM 0 HG21 VAL A 17 -4.402 -5.728 3.762 1.00 1.46 H new ATOM 0 HG22 VAL A 17 -2.708 -5.588 3.236 1.00 1.46 H new ATOM 0 HG23 VAL A 17 -3.845 -6.599 2.314 1.00 1.46 H new ATOM 272 N GLU A 18 -0.785 -10.250 3.947 1.00 0.81 N ATOM 273 CA GLU A 18 -0.591 -11.647 4.422 1.00 0.92 C ATOM 274 C GLU A 18 -0.638 -11.657 5.943 1.00 0.85 C ATOM 275 O GLU A 18 -1.360 -12.437 6.541 1.00 0.93 O ATOM 276 CB GLU A 18 0.767 -12.154 3.917 1.00 1.13 C ATOM 277 CG GLU A 18 0.600 -12.674 2.479 1.00 1.64 C ATOM 278 CD GLU A 18 0.014 -11.587 1.562 1.00 2.52 C ATOM 279 OE1 GLU A 18 0.485 -10.461 1.669 1.00 3.65 O ATOM 280 OE2 GLU A 18 -0.835 -11.964 0.768 1.00 3.24 O ATOM 0 H GLU A 18 0.041 -9.810 3.542 1.00 0.81 H new ATOM 0 HA GLU A 18 -1.376 -12.300 4.041 1.00 0.92 H new ATOM 0 HB2 GLU A 18 1.503 -11.351 3.944 1.00 1.13 H new ATOM 0 HB3 GLU A 18 1.138 -12.949 4.565 1.00 1.13 H new ATOM 0 HG2 GLU A 18 1.566 -12.999 2.092 1.00 1.64 H new ATOM 0 HG3 GLU A 18 -0.054 -13.546 2.478 1.00 1.64 H new ATOM 287 N ASP A 19 0.156 -10.812 6.531 1.00 0.82 N ATOM 288 CA ASP A 19 0.186 -10.706 8.012 1.00 0.90 C ATOM 289 C ASP A 19 0.437 -9.242 8.355 1.00 0.81 C ATOM 290 O ASP A 19 0.197 -8.358 7.549 1.00 0.90 O ATOM 291 CB ASP A 19 1.311 -11.578 8.601 1.00 1.15 C ATOM 292 CG ASP A 19 2.681 -10.988 8.233 1.00 1.82 C ATOM 293 OD1 ASP A 19 2.877 -10.707 7.061 1.00 3.06 O ATOM 294 OD2 ASP A 19 3.453 -10.812 9.155 1.00 2.62 O ATOM 0 H ASP A 19 0.793 -10.183 6.043 1.00 0.82 H new ATOM 0 HA ASP A 19 -0.757 -11.054 8.432 1.00 0.90 H new ATOM 0 HB2 ASP A 19 1.209 -11.634 9.685 1.00 1.15 H new ATOM 0 HB3 ASP A 19 1.230 -12.596 8.220 1.00 1.15 H new ATOM 299 N GLU A 20 0.893 -9.034 9.554 1.00 0.84 N ATOM 300 CA GLU A 20 1.198 -7.670 10.027 1.00 0.86 C ATOM 301 C GLU A 20 2.358 -7.069 9.247 1.00 0.84 C ATOM 302 O GLU A 20 2.428 -5.867 9.114 1.00 0.84 O ATOM 303 CB GLU A 20 1.558 -7.733 11.509 1.00 1.01 C ATOM 304 CG GLU A 20 0.280 -7.786 12.360 1.00 1.39 C ATOM 305 CD GLU A 20 -0.114 -9.240 12.630 1.00 2.53 C ATOM 306 OE1 GLU A 20 -0.377 -9.928 11.656 1.00 3.53 O ATOM 307 OE2 GLU A 20 -0.125 -9.580 13.799 1.00 3.40 O ATOM 0 H GLU A 20 1.069 -9.771 10.237 1.00 0.84 H new ATOM 0 HA GLU A 20 0.323 -7.039 9.875 1.00 0.86 H new ATOM 0 HB2 GLU A 20 2.172 -8.612 11.705 1.00 1.01 H new ATOM 0 HB3 GLU A 20 2.152 -6.862 11.784 1.00 1.01 H new ATOM 0 HG2 GLU A 20 0.440 -7.264 13.303 1.00 1.39 H new ATOM 0 HG3 GLU A 20 -0.531 -7.271 11.844 1.00 1.39 H new ATOM 314 N ASN A 21 3.284 -7.893 8.826 1.00 0.94 N ATOM 315 CA ASN A 21 4.441 -7.359 8.033 1.00 1.02 C ATOM 316 C ASN A 21 3.948 -6.320 7.011 1.00 0.86 C ATOM 317 O ASN A 21 4.261 -5.147 7.126 1.00 0.84 O ATOM 318 CB ASN A 21 5.123 -8.528 7.313 1.00 1.20 C ATOM 319 CG ASN A 21 6.436 -8.089 6.649 1.00 1.63 C ATOM 320 OD1 ASN A 21 6.678 -6.837 6.394 1.00 2.65 O flip ATOM 321 ND2 ASN A 21 7.270 -8.909 6.340 1.00 1.99 N flip ATOM 0 H ASN A 21 3.293 -8.899 8.992 1.00 0.94 H new ATOM 0 HA ASN A 21 5.152 -6.871 8.699 1.00 1.02 H new ATOM 0 HB2 ASN A 21 5.324 -9.328 8.025 1.00 1.20 H new ATOM 0 HB3 ASN A 21 4.450 -8.934 6.558 1.00 1.20 H new ATOM 0 HD21 ASN A 21 7.107 -9.898 6.528 1.00 1.99 H new ATOM 0 HD22 ASN A 21 8.136 -8.611 5.891 1.00 1.99 H new ATOM 328 N ASP A 22 3.184 -6.768 6.048 1.00 0.81 N ATOM 329 CA ASP A 22 2.654 -5.822 5.010 1.00 0.73 C ATOM 330 C ASP A 22 2.034 -4.600 5.674 1.00 0.66 C ATOM 331 O ASP A 22 2.397 -3.483 5.386 1.00 0.86 O ATOM 332 CB ASP A 22 1.563 -6.500 4.172 1.00 0.81 C ATOM 333 CG ASP A 22 0.866 -5.434 3.318 1.00 2.37 C ATOM 334 OD1 ASP A 22 1.572 -4.879 2.507 1.00 3.14 O ATOM 335 OD2 ASP A 22 -0.306 -5.193 3.576 1.00 3.62 O ATOM 0 H ASP A 22 2.903 -7.742 5.932 1.00 0.81 H new ATOM 0 HA ASP A 22 3.490 -5.527 4.375 1.00 0.73 H new ATOM 0 HB2 ASP A 22 1.999 -7.269 3.535 1.00 0.81 H new ATOM 0 HB3 ASP A 22 0.841 -6.996 4.821 1.00 0.81 H new ATOM 340 N ILE A 23 1.065 -4.866 6.514 1.00 0.62 N ATOM 341 CA ILE A 23 0.370 -3.765 7.237 1.00 0.59 C ATOM 342 C ILE A 23 1.370 -2.699 7.667 1.00 0.67 C ATOM 343 O ILE A 23 1.198 -1.523 7.388 1.00 0.78 O ATOM 344 CB ILE A 23 -0.327 -4.361 8.472 1.00 0.72 C ATOM 345 CG1 ILE A 23 -1.417 -5.330 7.975 1.00 0.72 C ATOM 346 CG2 ILE A 23 -0.940 -3.236 9.319 1.00 0.97 C ATOM 347 CD1 ILE A 23 -2.189 -5.962 9.139 1.00 0.84 C ATOM 0 H ILE A 23 0.726 -5.804 6.729 1.00 0.62 H new ATOM 0 HA ILE A 23 -0.364 -3.297 6.580 1.00 0.59 H new ATOM 0 HB ILE A 23 0.386 -4.897 9.098 1.00 0.72 H new ATOM 0 HG12 ILE A 23 -2.111 -4.795 7.326 1.00 0.72 H new ATOM 0 HG13 ILE A 23 -0.959 -6.115 7.373 1.00 0.72 H new ATOM 0 HG21 ILE A 23 -1.432 -3.665 10.192 1.00 0.97 H new ATOM 0 HG22 ILE A 23 -0.153 -2.555 9.644 1.00 0.97 H new ATOM 0 HG23 ILE A 23 -1.670 -2.689 8.723 1.00 0.97 H new ATOM 0 HD11 ILE A 23 -2.948 -6.639 8.747 1.00 0.84 H new ATOM 0 HD12 ILE A 23 -1.499 -6.519 9.773 1.00 0.84 H new ATOM 0 HD13 ILE A 23 -2.669 -5.178 9.725 1.00 0.84 H new ATOM 359 N SER A 24 2.403 -3.156 8.310 1.00 0.77 N ATOM 360 CA SER A 24 3.447 -2.226 8.795 1.00 0.90 C ATOM 361 C SER A 24 4.033 -1.440 7.609 1.00 0.93 C ATOM 362 O SER A 24 3.963 -0.217 7.595 1.00 1.11 O ATOM 363 CB SER A 24 4.515 -3.068 9.506 1.00 1.05 C ATOM 364 OG SER A 24 3.767 -3.846 10.457 1.00 1.17 O ATOM 0 H SER A 24 2.568 -4.140 8.521 1.00 0.77 H new ATOM 0 HA SER A 24 3.039 -1.494 9.493 1.00 0.90 H new ATOM 0 HB2 SER A 24 5.054 -3.705 8.804 1.00 1.05 H new ATOM 0 HB3 SER A 24 5.256 -2.439 9.999 1.00 1.05 H new ATOM 0 HG SER A 24 3.420 -4.651 10.020 1.00 1.17 H new ATOM 370 N GLU A 25 4.555 -2.137 6.625 1.00 0.90 N ATOM 371 CA GLU A 25 5.138 -1.417 5.445 1.00 0.97 C ATOM 372 C GLU A 25 4.112 -0.491 4.755 1.00 0.95 C ATOM 373 O GLU A 25 4.371 0.680 4.564 1.00 1.05 O ATOM 374 CB GLU A 25 5.670 -2.441 4.418 1.00 1.13 C ATOM 375 CG GLU A 25 7.194 -2.677 4.603 1.00 1.65 C ATOM 376 CD GLU A 25 7.470 -3.917 5.469 1.00 1.64 C ATOM 377 OE1 GLU A 25 6.591 -4.255 6.241 1.00 2.50 O ATOM 378 OE2 GLU A 25 8.546 -4.476 5.310 1.00 2.61 O ATOM 0 H GLU A 25 4.603 -3.155 6.587 1.00 0.90 H new ATOM 0 HA GLU A 25 5.951 -0.794 5.818 1.00 0.97 H new ATOM 0 HB2 GLU A 25 5.136 -3.385 4.531 1.00 1.13 H new ATOM 0 HB3 GLU A 25 5.474 -2.083 3.407 1.00 1.13 H new ATOM 0 HG2 GLU A 25 7.665 -2.800 3.628 1.00 1.65 H new ATOM 0 HG3 GLU A 25 7.646 -1.800 5.067 1.00 1.65 H new ATOM 385 N LEU A 26 2.958 -0.989 4.397 1.00 0.92 N ATOM 386 CA LEU A 26 1.986 -0.121 3.722 1.00 0.95 C ATOM 387 C LEU A 26 1.633 1.052 4.646 1.00 0.92 C ATOM 388 O LEU A 26 1.524 2.162 4.191 1.00 1.03 O ATOM 389 CB LEU A 26 0.787 -1.000 3.369 1.00 1.04 C ATOM 390 CG LEU A 26 -0.331 -0.145 2.807 1.00 0.94 C ATOM 391 CD1 LEU A 26 0.152 0.695 1.615 1.00 1.89 C ATOM 392 CD2 LEU A 26 -1.472 -1.053 2.339 1.00 1.77 C ATOM 0 H LEU A 26 2.660 -1.953 4.547 1.00 0.92 H new ATOM 0 HA LEU A 26 2.375 0.323 2.805 1.00 0.95 H new ATOM 0 HB2 LEU A 26 1.081 -1.755 2.640 1.00 1.04 H new ATOM 0 HB3 LEU A 26 0.440 -1.531 4.256 1.00 1.04 H new ATOM 0 HG LEU A 26 -0.671 0.530 3.593 1.00 0.94 H new ATOM 0 HD11 LEU A 26 -0.674 1.297 1.235 1.00 1.89 H new ATOM 0 HD12 LEU A 26 0.961 1.351 1.936 1.00 1.89 H new ATOM 0 HD13 LEU A 26 0.512 0.034 0.826 1.00 1.89 H new ATOM 0 HD21 LEU A 26 -2.279 -0.443 1.934 1.00 1.77 H new ATOM 0 HD22 LEU A 26 -1.105 -1.729 1.567 1.00 1.77 H new ATOM 0 HD23 LEU A 26 -1.844 -1.634 3.183 1.00 1.77 H new ATOM 404 N HIS A 27 1.456 0.782 5.918 1.00 0.85 N ATOM 405 CA HIS A 27 1.162 1.901 6.878 1.00 0.91 C ATOM 406 C HIS A 27 2.237 2.972 6.657 1.00 0.92 C ATOM 407 O HIS A 27 1.962 4.141 6.425 1.00 1.07 O ATOM 408 CB HIS A 27 1.252 1.369 8.323 1.00 0.93 C ATOM 409 CG HIS A 27 -0.076 0.844 8.869 1.00 1.03 C ATOM 410 ND1 HIS A 27 -0.773 -0.044 8.220 1.00 2.99 N ATOM 411 CD2 HIS A 27 -0.789 1.155 9.995 1.00 1.31 C ATOM 412 CE1 HIS A 27 -1.886 -0.268 8.884 1.00 2.86 C ATOM 413 NE2 HIS A 27 -1.885 0.464 9.967 1.00 1.14 N ATOM 0 H HIS A 27 1.501 -0.149 6.331 1.00 0.85 H new ATOM 0 HA HIS A 27 0.164 2.309 6.717 1.00 0.91 H new ATOM 0 HB2 HIS A 27 1.992 0.569 8.361 1.00 0.93 H new ATOM 0 HB3 HIS A 27 1.612 2.167 8.973 1.00 0.93 H new ATOM 0 HD1 HIS A 27 -0.502 -0.491 7.344 1.00 2.99 H new ATOM 0 HD2 HIS A 27 -0.492 1.850 10.767 1.00 1.31 H new ATOM 0 HE1 HIS A 27 -2.672 -0.945 8.584 1.00 2.86 H new ATOM 421 N GLU A 28 3.449 2.483 6.726 1.00 0.88 N ATOM 422 CA GLU A 28 4.668 3.322 6.520 1.00 0.96 C ATOM 423 C GLU A 28 4.533 4.134 5.223 1.00 1.12 C ATOM 424 O GLU A 28 5.126 5.197 5.072 1.00 1.53 O ATOM 425 CB GLU A 28 5.857 2.354 6.440 1.00 0.93 C ATOM 426 CG GLU A 28 7.157 3.026 6.871 1.00 1.49 C ATOM 427 CD GLU A 28 8.189 1.944 7.195 1.00 2.85 C ATOM 428 OE1 GLU A 28 8.461 1.158 6.293 1.00 4.14 O ATOM 429 OE2 GLU A 28 8.630 1.956 8.334 1.00 3.52 O ATOM 0 H GLU A 28 3.649 1.503 6.924 1.00 0.88 H new ATOM 0 HA GLU A 28 4.807 4.034 7.334 1.00 0.96 H new ATOM 0 HB2 GLU A 28 5.666 1.489 7.075 1.00 0.93 H new ATOM 0 HB3 GLU A 28 5.958 1.985 5.420 1.00 0.93 H new ATOM 0 HG2 GLU A 28 7.527 3.675 6.077 1.00 1.49 H new ATOM 0 HG3 GLU A 28 6.985 3.656 7.744 1.00 1.49 H new ATOM 436 N LEU A 29 3.758 3.604 4.309 1.00 1.05 N ATOM 437 CA LEU A 29 3.535 4.289 3.005 1.00 1.20 C ATOM 438 C LEU A 29 2.032 4.454 2.718 1.00 2.18 C ATOM 439 O LEU A 29 1.553 4.016 1.689 1.00 3.85 O ATOM 440 CB LEU A 29 4.182 3.449 1.887 1.00 1.32 C ATOM 441 CG LEU A 29 4.242 4.256 0.570 1.00 1.56 C ATOM 442 CD1 LEU A 29 5.004 5.578 0.759 1.00 1.49 C ATOM 443 CD2 LEU A 29 4.974 3.437 -0.488 1.00 2.46 C ATOM 0 H LEU A 29 3.267 2.716 4.415 1.00 1.05 H new ATOM 0 HA LEU A 29 3.985 5.281 3.046 1.00 1.20 H new ATOM 0 HB2 LEU A 29 5.187 3.151 2.184 1.00 1.32 H new ATOM 0 HB3 LEU A 29 3.610 2.534 1.734 1.00 1.32 H new ATOM 0 HG LEU A 29 3.219 4.474 0.263 1.00 1.56 H new ATOM 0 HD11 LEU A 29 5.029 6.122 -0.185 1.00 1.49 H new ATOM 0 HD12 LEU A 29 4.501 6.183 1.513 1.00 1.49 H new ATOM 0 HD13 LEU A 29 6.023 5.367 1.083 1.00 1.49 H new ATOM 0 HD21 LEU A 29 5.019 4.002 -1.419 1.00 2.46 H new ATOM 0 HD22 LEU A 29 5.986 3.221 -0.145 1.00 2.46 H new ATOM 0 HD23 LEU A 29 4.441 2.501 -0.657 1.00 2.46 H new ATOM 455 N ALA A 30 1.315 5.051 3.629 1.00 1.46 N ATOM 456 CA ALA A 30 -0.147 5.257 3.397 1.00 2.36 C ATOM 457 C ALA A 30 -0.474 6.752 3.505 1.00 3.03 C ATOM 458 O ALA A 30 -0.026 7.534 2.690 1.00 3.34 O ATOM 459 CB ALA A 30 -0.930 4.439 4.438 1.00 2.36 C ATOM 0 H ALA A 30 1.672 5.403 4.517 1.00 1.46 H new ATOM 0 HA ALA A 30 -0.430 4.920 2.400 1.00 2.36 H new ATOM 0 HB1 ALA A 30 -2.000 4.579 4.281 1.00 2.36 H new ATOM 0 HB2 ALA A 30 -0.683 3.383 4.331 1.00 2.36 H new ATOM 0 HB3 ALA A 30 -0.663 4.775 5.440 1.00 2.36 H new ATOM 465 N SER A 31 -1.170 7.141 4.537 1.00 4.07 N ATOM 466 CA SER A 31 -1.527 8.579 4.696 1.00 5.11 C ATOM 467 C SER A 31 -0.371 9.322 5.350 1.00 4.27 C ATOM 468 O SER A 31 -0.477 9.876 6.426 1.00 4.59 O ATOM 469 CB SER A 31 -2.777 8.670 5.557 1.00 7.11 C ATOM 470 OG SER A 31 -2.716 7.523 6.412 1.00 6.69 O ATOM 0 H SER A 31 -1.507 6.526 5.277 1.00 4.07 H new ATOM 0 HA SER A 31 -1.720 9.034 3.725 1.00 5.11 H new ATOM 0 HB2 SER A 31 -2.793 9.594 6.135 1.00 7.11 H new ATOM 0 HB3 SER A 31 -3.680 8.661 4.946 1.00 7.11 H new ATOM 0 HG SER A 31 -3.497 7.514 7.004 1.00 6.69 H new ATOM 476 N THR A 32 0.708 9.300 4.652 1.00 3.64 N ATOM 477 CA THR A 32 1.959 9.967 5.134 1.00 3.40 C ATOM 478 C THR A 32 2.481 10.944 4.077 1.00 2.71 C ATOM 479 O THR A 32 2.919 12.026 4.407 1.00 3.43 O ATOM 480 CB THR A 32 3.005 8.873 5.464 1.00 3.91 C ATOM 481 OG1 THR A 32 4.311 9.449 5.327 1.00 3.16 O ATOM 482 CG2 THR A 32 2.973 7.735 4.446 1.00 4.85 C ATOM 0 H THR A 32 0.794 8.842 3.745 1.00 3.64 H new ATOM 0 HA THR A 32 1.755 10.546 6.035 1.00 3.40 H new ATOM 0 HB THR A 32 2.785 8.501 6.465 1.00 3.91 H new ATOM 0 HG1 THR A 32 4.875 9.162 6.075 1.00 3.16 H new ATOM 0 HG21 THR A 32 3.721 6.988 4.712 1.00 4.85 H new ATOM 0 HG22 THR A 32 1.985 7.275 4.445 1.00 4.85 H new ATOM 0 HG23 THR A 32 3.191 8.129 3.453 1.00 4.85 H new ATOM 490 N ARG A 33 2.438 10.527 2.843 1.00 2.26 N ATOM 491 CA ARG A 33 2.930 11.390 1.733 1.00 2.85 C ATOM 492 C ARG A 33 1.765 11.632 0.758 1.00 2.13 C ATOM 493 O ARG A 33 0.648 11.218 1.024 1.00 2.13 O ATOM 494 CB ARG A 33 4.118 10.661 1.067 1.00 4.11 C ATOM 495 CG ARG A 33 5.171 10.353 2.160 1.00 5.54 C ATOM 496 CD ARG A 33 6.247 9.377 1.657 1.00 7.13 C ATOM 497 NE ARG A 33 7.170 9.066 2.804 1.00 8.62 N ATOM 498 CZ ARG A 33 7.092 7.908 3.400 1.00 9.54 C ATOM 499 NH1 ARG A 33 6.139 7.711 4.270 1.00 9.82 N ATOM 500 NH2 ARG A 33 7.969 7.002 3.091 1.00 10.61 N ATOM 0 H ARG A 33 2.080 9.617 2.553 1.00 2.26 H new ATOM 0 HA ARG A 33 3.277 12.363 2.081 1.00 2.85 H new ATOM 0 HB2 ARG A 33 3.781 9.739 0.593 1.00 4.11 H new ATOM 0 HB3 ARG A 33 4.554 11.281 0.284 1.00 4.11 H new ATOM 0 HG2 ARG A 33 5.644 11.281 2.481 1.00 5.54 H new ATOM 0 HG3 ARG A 33 4.675 9.929 3.033 1.00 5.54 H new ATOM 0 HD2 ARG A 33 5.786 8.464 1.281 1.00 7.13 H new ATOM 0 HD3 ARG A 33 6.803 9.817 0.830 1.00 7.13 H new ATOM 0 HE ARG A 33 7.853 9.757 3.114 1.00 8.62 H new ATOM 0 HH11 ARG A 33 5.472 8.456 4.473 1.00 9.82 H new ATOM 0 HH12 ARG A 33 6.061 6.813 4.747 1.00 9.82 H new ATOM 0 HH21 ARG A 33 8.691 7.206 2.400 1.00 10.61 H new ATOM 0 HH22 ARG A 33 7.936 6.086 3.539 1.00 10.61 H new ATOM 514 N GLN A 34 2.028 12.262 -0.353 1.00 2.65 N ATOM 515 CA GLN A 34 0.920 12.541 -1.323 1.00 2.92 C ATOM 516 C GLN A 34 0.592 11.298 -2.157 1.00 2.26 C ATOM 517 O GLN A 34 0.648 11.326 -3.373 1.00 2.28 O ATOM 518 CB GLN A 34 1.325 13.685 -2.270 1.00 4.20 C ATOM 519 CG GLN A 34 1.871 14.884 -1.480 1.00 4.64 C ATOM 520 CD GLN A 34 3.389 14.751 -1.332 1.00 5.01 C ATOM 521 OE1 GLN A 34 3.888 14.136 -0.413 1.00 5.31 O ATOM 522 NE2 GLN A 34 4.156 15.283 -2.229 1.00 5.84 N ATOM 0 H GLN A 34 2.950 12.595 -0.634 1.00 2.65 H new ATOM 0 HA GLN A 34 0.038 12.825 -0.750 1.00 2.92 H new ATOM 0 HB2 GLN A 34 2.081 13.332 -2.971 1.00 4.20 H new ATOM 0 HB3 GLN A 34 0.463 13.996 -2.861 1.00 4.20 H new ATOM 0 HG2 GLN A 34 1.625 15.813 -1.994 1.00 4.64 H new ATOM 0 HG3 GLN A 34 1.402 14.929 -0.497 1.00 4.64 H new ATOM 0 HE21 GLN A 34 3.748 15.802 -3.006 1.00 5.84 H new ATOM 0 HE22 GLN A 34 5.169 15.183 -2.159 1.00 5.84 H new ATOM 531 N ILE A 35 0.249 10.238 -1.480 1.00 2.02 N ATOM 532 CA ILE A 35 -0.107 8.967 -2.181 1.00 1.74 C ATOM 533 C ILE A 35 -1.582 8.687 -1.851 1.00 1.54 C ATOM 534 O ILE A 35 -1.921 8.355 -0.727 1.00 1.54 O ATOM 535 CB ILE A 35 0.865 7.852 -1.705 1.00 2.18 C ATOM 536 CG1 ILE A 35 0.583 6.517 -2.428 1.00 2.20 C ATOM 537 CG2 ILE A 35 0.808 7.667 -0.179 1.00 3.18 C ATOM 538 CD1 ILE A 35 -0.569 5.737 -1.779 1.00 1.86 C ATOM 0 H ILE A 35 0.199 10.195 -0.462 1.00 2.02 H new ATOM 0 HA ILE A 35 -0.002 9.021 -3.265 1.00 1.74 H new ATOM 0 HB ILE A 35 1.874 8.171 -1.965 1.00 2.18 H new ATOM 0 HG12 ILE A 35 0.342 6.715 -3.472 1.00 2.20 H new ATOM 0 HG13 ILE A 35 1.484 5.904 -2.420 1.00 2.20 H new ATOM 0 HG21 ILE A 35 1.500 6.879 0.118 1.00 3.18 H new ATOM 0 HG22 ILE A 35 1.087 8.600 0.311 1.00 3.18 H new ATOM 0 HG23 ILE A 35 -0.204 7.391 0.116 1.00 3.18 H new ATOM 0 HD11 ILE A 35 -0.730 4.806 -2.322 1.00 1.86 H new ATOM 0 HD12 ILE A 35 -0.318 5.513 -0.742 1.00 1.86 H new ATOM 0 HD13 ILE A 35 -1.478 6.337 -1.811 1.00 1.86 H new ATOM 550 N ASP A 36 -2.437 8.934 -2.810 1.00 1.91 N ATOM 551 CA ASP A 36 -3.905 8.726 -2.591 1.00 1.88 C ATOM 552 C ASP A 36 -4.254 7.320 -2.128 1.00 1.69 C ATOM 553 O ASP A 36 -3.599 6.344 -2.447 1.00 1.59 O ATOM 554 CB ASP A 36 -4.681 8.990 -3.885 1.00 2.05 C ATOM 555 CG ASP A 36 -4.245 10.323 -4.466 1.00 3.24 C ATOM 556 OD1 ASP A 36 -3.202 10.294 -5.092 1.00 4.42 O ATOM 557 OD2 ASP A 36 -4.952 11.288 -4.238 1.00 3.76 O ATOM 0 H ASP A 36 -2.184 9.272 -3.739 1.00 1.91 H new ATOM 0 HA ASP A 36 -4.184 9.428 -1.805 1.00 1.88 H new ATOM 0 HB2 ASP A 36 -4.498 8.190 -4.602 1.00 2.05 H new ATOM 0 HB3 ASP A 36 -5.752 9.000 -3.685 1.00 2.05 H new ATOM 562 N PHE A 37 -5.366 7.259 -1.460 1.00 1.83 N ATOM 563 CA PHE A 37 -5.876 5.975 -0.926 1.00 1.80 C ATOM 564 C PHE A 37 -7.271 5.755 -1.514 1.00 1.74 C ATOM 565 O PHE A 37 -8.017 6.710 -1.658 1.00 2.03 O ATOM 566 CB PHE A 37 -5.947 6.105 0.601 1.00 2.30 C ATOM 567 CG PHE A 37 -5.343 4.868 1.264 1.00 1.26 C ATOM 568 CD1 PHE A 37 -3.973 4.779 1.463 1.00 1.30 C ATOM 569 CD2 PHE A 37 -6.152 3.824 1.665 1.00 2.18 C ATOM 570 CE1 PHE A 37 -3.425 3.664 2.058 1.00 1.46 C ATOM 571 CE2 PHE A 37 -5.603 2.710 2.260 1.00 2.65 C ATOM 572 CZ PHE A 37 -4.241 2.629 2.457 1.00 2.08 C ATOM 0 H PHE A 37 -5.956 8.066 -1.258 1.00 1.83 H new ATOM 0 HA PHE A 37 -5.236 5.132 -1.187 1.00 1.80 H new ATOM 0 HB2 PHE A 37 -5.411 6.998 0.923 1.00 2.30 H new ATOM 0 HB3 PHE A 37 -6.984 6.226 0.915 1.00 2.30 H new ATOM 0 HD1 PHE A 37 -3.332 5.589 1.149 1.00 1.30 H new ATOM 0 HD2 PHE A 37 -7.220 3.881 1.512 1.00 2.18 H new ATOM 0 HE1 PHE A 37 -2.358 3.602 2.211 1.00 1.46 H new ATOM 0 HE2 PHE A 37 -6.241 1.897 2.573 1.00 2.65 H new ATOM 0 HZ PHE A 37 -3.814 1.754 2.924 1.00 2.08 H new ATOM 582 N TRP A 38 -7.597 4.528 -1.826 1.00 1.58 N ATOM 583 CA TRP A 38 -8.945 4.238 -2.410 1.00 1.56 C ATOM 584 C TRP A 38 -9.730 3.311 -1.485 1.00 1.64 C ATOM 585 O TRP A 38 -10.786 3.674 -1.007 1.00 1.81 O ATOM 586 CB TRP A 38 -8.761 3.603 -3.799 1.00 1.52 C ATOM 587 CG TRP A 38 -9.158 4.511 -4.966 1.00 2.18 C ATOM 588 CD1 TRP A 38 -8.832 5.832 -5.096 1.00 3.61 C ATOM 589 CD2 TRP A 38 -9.909 4.235 -6.088 1.00 2.07 C ATOM 590 NE1 TRP A 38 -9.336 6.314 -6.190 1.00 4.10 N ATOM 591 CE2 TRP A 38 -10.012 5.391 -6.846 1.00 3.22 C ATOM 592 CE3 TRP A 38 -10.510 3.056 -6.495 1.00 1.93 C ATOM 593 CZ2 TRP A 38 -10.712 5.393 -8.025 1.00 3.56 C ATOM 594 CZ3 TRP A 38 -11.217 3.074 -7.692 1.00 2.66 C ATOM 595 CH2 TRP A 38 -11.318 4.229 -8.448 1.00 3.15 C ATOM 0 H TRP A 38 -6.993 3.716 -1.703 1.00 1.58 H new ATOM 0 HA TRP A 38 -9.511 5.163 -2.514 1.00 1.56 H new ATOM 0 HB2 TRP A 38 -7.717 3.314 -3.918 1.00 1.52 H new ATOM 0 HB3 TRP A 38 -9.352 2.689 -3.848 1.00 1.52 H new ATOM 0 HD1 TRP A 38 -8.240 6.394 -4.389 1.00 3.61 H new ATOM 0 HE1 TRP A 38 -9.224 7.279 -6.501 1.00 4.10 H new ATOM 0 HE3 TRP A 38 -10.432 2.155 -5.904 1.00 1.93 H new ATOM 0 HZ2 TRP A 38 -10.788 6.295 -8.615 1.00 3.56 H new ATOM 0 HZ3 TRP A 38 -11.696 2.170 -8.038 1.00 2.66 H new ATOM 0 HH2 TRP A 38 -11.874 4.218 -9.374 1.00 3.15 H new ATOM 606 N LYS A 39 -9.212 2.128 -1.269 1.00 1.61 N ATOM 607 CA LYS A 39 -9.916 1.172 -0.357 1.00 1.77 C ATOM 608 C LYS A 39 -8.879 0.579 0.604 1.00 1.86 C ATOM 609 O LYS A 39 -7.713 0.496 0.255 1.00 2.11 O ATOM 610 CB LYS A 39 -10.563 0.017 -1.154 1.00 1.80 C ATOM 611 CG LYS A 39 -11.151 0.493 -2.493 1.00 2.36 C ATOM 612 CD LYS A 39 -12.113 -0.586 -3.028 1.00 2.47 C ATOM 613 CE LYS A 39 -12.274 -0.467 -4.552 1.00 3.26 C ATOM 614 NZ LYS A 39 -11.086 -1.036 -5.259 1.00 3.53 N ATOM 0 H LYS A 39 -8.343 1.785 -1.678 1.00 1.61 H new ATOM 0 HA LYS A 39 -10.700 1.706 0.180 1.00 1.77 H new ATOM 0 HB2 LYS A 39 -9.817 -0.756 -1.341 1.00 1.80 H new ATOM 0 HB3 LYS A 39 -11.351 -0.439 -0.555 1.00 1.80 H new ATOM 0 HG2 LYS A 39 -11.680 1.436 -2.358 1.00 2.36 H new ATOM 0 HG3 LYS A 39 -10.352 0.676 -3.212 1.00 2.36 H new ATOM 0 HD2 LYS A 39 -11.734 -1.576 -2.774 1.00 2.47 H new ATOM 0 HD3 LYS A 39 -13.085 -0.484 -2.546 1.00 2.47 H new ATOM 0 HE2 LYS A 39 -13.176 -0.991 -4.869 1.00 3.26 H new ATOM 0 HE3 LYS A 39 -12.400 0.580 -4.828 1.00 3.26 H new ATOM 0 HZ1 LYS A 39 -11.366 -1.352 -6.209 1.00 3.53 H new ATOM 0 HZ2 LYS A 39 -10.348 -0.307 -5.340 1.00 3.53 H new ATOM 0 HZ3 LYS A 39 -10.716 -1.845 -4.720 1.00 3.53 H new ATOM 628 N PRO A 40 -9.322 0.102 1.753 1.00 1.74 N ATOM 629 CA PRO A 40 -10.739 0.124 2.190 1.00 1.43 C ATOM 630 C PRO A 40 -11.090 1.377 2.989 1.00 1.88 C ATOM 631 O PRO A 40 -11.889 2.174 2.546 1.00 2.98 O ATOM 632 CB PRO A 40 -10.858 -1.113 3.081 1.00 1.72 C ATOM 633 CG PRO A 40 -9.443 -1.352 3.642 1.00 2.07 C ATOM 634 CD PRO A 40 -8.453 -0.663 2.674 1.00 2.21 C ATOM 0 HA PRO A 40 -11.419 0.127 1.338 1.00 1.43 H new ATOM 0 HB2 PRO A 40 -11.577 -0.951 3.884 1.00 1.72 H new ATOM 0 HB3 PRO A 40 -11.206 -1.975 2.512 1.00 1.72 H new ATOM 0 HG2 PRO A 40 -9.351 -0.939 4.647 1.00 2.07 H new ATOM 0 HG3 PRO A 40 -9.232 -2.419 3.715 1.00 2.07 H new ATOM 0 HD2 PRO A 40 -7.764 -0.008 3.208 1.00 2.21 H new ATOM 0 HD3 PRO A 40 -7.848 -1.393 2.137 1.00 2.21 H new ATOM 642 N ASP A 41 -10.460 1.536 4.128 1.00 2.01 N ATOM 643 CA ASP A 41 -10.767 2.680 4.988 1.00 2.73 C ATOM 644 C ASP A 41 -9.501 3.515 5.163 1.00 2.15 C ATOM 645 O ASP A 41 -8.770 3.771 4.227 1.00 2.25 O ATOM 646 CB ASP A 41 -11.268 2.094 6.335 1.00 3.98 C ATOM 647 CG ASP A 41 -12.033 0.779 6.082 1.00 4.19 C ATOM 648 OD1 ASP A 41 -13.113 0.867 5.534 1.00 4.43 O ATOM 649 OD2 ASP A 41 -11.454 -0.245 6.422 1.00 5.15 O ATOM 0 H ASP A 41 -9.742 0.906 4.487 1.00 2.01 H new ATOM 0 HA ASP A 41 -11.531 3.333 4.567 1.00 2.73 H new ATOM 0 HB2 ASP A 41 -10.423 1.912 6.999 1.00 3.98 H new ATOM 0 HB3 ASP A 41 -11.917 2.812 6.835 1.00 3.98 H new ATOM 654 N SER A 42 -9.219 3.800 6.383 1.00 2.29 N ATOM 655 CA SER A 42 -8.027 4.639 6.721 1.00 2.18 C ATOM 656 C SER A 42 -6.892 3.748 7.214 1.00 2.21 C ATOM 657 O SER A 42 -6.284 4.017 8.232 1.00 3.92 O ATOM 658 CB SER A 42 -8.406 5.649 7.818 1.00 2.73 C ATOM 659 OG SER A 42 -9.414 6.462 7.231 1.00 3.17 O ATOM 0 H SER A 42 -9.764 3.489 7.187 1.00 2.29 H new ATOM 0 HA SER A 42 -7.699 5.176 5.831 1.00 2.18 H new ATOM 0 HB2 SER A 42 -8.775 5.144 8.710 1.00 2.73 H new ATOM 0 HB3 SER A 42 -7.545 6.244 8.122 1.00 2.73 H new ATOM 0 HG SER A 42 -9.709 7.136 7.879 1.00 3.17 H new ATOM 665 N VAL A 43 -6.621 2.742 6.425 1.00 1.06 N ATOM 666 CA VAL A 43 -5.536 1.743 6.717 1.00 0.95 C ATOM 667 C VAL A 43 -5.307 1.514 8.232 1.00 0.97 C ATOM 668 O VAL A 43 -4.205 1.263 8.669 1.00 1.49 O ATOM 669 CB VAL A 43 -4.268 2.276 6.005 1.00 1.17 C ATOM 670 CG1 VAL A 43 -3.745 3.545 6.700 1.00 1.51 C ATOM 671 CG2 VAL A 43 -3.161 1.214 5.963 1.00 1.58 C ATOM 0 H VAL A 43 -7.124 2.561 5.556 1.00 1.06 H new ATOM 0 HA VAL A 43 -5.816 0.757 6.346 1.00 0.95 H new ATOM 0 HB VAL A 43 -4.549 2.521 4.981 1.00 1.17 H new ATOM 0 HG11 VAL A 43 -2.854 3.902 6.183 1.00 1.51 H new ATOM 0 HG12 VAL A 43 -4.514 4.317 6.674 1.00 1.51 H new ATOM 0 HG13 VAL A 43 -3.496 3.316 7.736 1.00 1.51 H new ATOM 0 HG21 VAL A 43 -2.286 1.621 5.457 1.00 1.58 H new ATOM 0 HG22 VAL A 43 -2.892 0.928 6.980 1.00 1.58 H new ATOM 0 HG23 VAL A 43 -3.518 0.337 5.422 1.00 1.58 H new ATOM 681 N THR A 44 -6.372 1.538 8.993 1.00 1.27 N ATOM 682 CA THR A 44 -6.248 1.326 10.477 1.00 1.43 C ATOM 683 C THR A 44 -7.014 0.084 10.969 1.00 1.51 C ATOM 684 O THR A 44 -6.853 -0.331 12.102 1.00 2.00 O ATOM 685 CB THR A 44 -6.761 2.586 11.190 1.00 1.68 C ATOM 686 OG1 THR A 44 -7.647 3.222 10.268 1.00 1.57 O ATOM 687 CG2 THR A 44 -5.624 3.590 11.410 1.00 2.09 C ATOM 0 H THR A 44 -7.322 1.694 8.657 1.00 1.27 H new ATOM 0 HA THR A 44 -5.198 1.148 10.710 1.00 1.43 H new ATOM 0 HB THR A 44 -7.211 2.310 12.144 1.00 1.68 H new ATOM 0 HG1 THR A 44 -7.139 3.835 9.696 1.00 1.57 H new ATOM 0 HG21 THR A 44 -6.012 4.474 11.916 1.00 2.09 H new ATOM 0 HG22 THR A 44 -4.848 3.132 12.023 1.00 2.09 H new ATOM 0 HG23 THR A 44 -5.203 3.879 10.447 1.00 2.09 H new ATOM 695 N GLN A 45 -7.874 -0.448 10.132 1.00 1.47 N ATOM 696 CA GLN A 45 -8.653 -1.676 10.524 1.00 1.71 C ATOM 697 C GLN A 45 -8.432 -2.813 9.515 1.00 1.59 C ATOM 698 O GLN A 45 -9.057 -3.860 9.598 1.00 2.12 O ATOM 699 CB GLN A 45 -10.148 -1.323 10.607 1.00 2.10 C ATOM 700 CG GLN A 45 -10.457 -0.778 12.011 1.00 3.08 C ATOM 701 CD GLN A 45 -10.670 -1.942 12.995 1.00 4.54 C ATOM 702 OE1 GLN A 45 -10.068 -3.002 12.895 1.00 5.45 O ATOM 703 NE2 GLN A 45 -11.510 -1.791 13.972 1.00 5.60 N ATOM 0 H GLN A 45 -8.072 -0.090 9.198 1.00 1.47 H new ATOM 0 HA GLN A 45 -8.303 -2.019 11.497 1.00 1.71 H new ATOM 0 HB2 GLN A 45 -10.402 -0.580 9.851 1.00 2.10 H new ATOM 0 HB3 GLN A 45 -10.755 -2.205 10.404 1.00 2.10 H new ATOM 0 HG2 GLN A 45 -9.636 -0.148 12.354 1.00 3.08 H new ATOM 0 HG3 GLN A 45 -11.348 -0.151 11.978 1.00 3.08 H new ATOM 0 HE21 GLN A 45 -12.022 -0.915 14.073 1.00 5.60 H new ATOM 0 HE22 GLN A 45 -11.658 -2.548 14.639 1.00 5.60 H new ATOM 712 N ILE A 46 -7.535 -2.590 8.593 1.00 1.23 N ATOM 713 CA ILE A 46 -7.240 -3.647 7.575 1.00 1.17 C ATOM 714 C ILE A 46 -6.781 -4.918 8.304 1.00 1.20 C ATOM 715 O ILE A 46 -6.158 -4.834 9.345 1.00 1.27 O ATOM 716 CB ILE A 46 -6.140 -3.111 6.612 1.00 1.05 C ATOM 717 CG1 ILE A 46 -6.749 -2.612 5.308 1.00 1.46 C ATOM 718 CG2 ILE A 46 -5.023 -4.144 6.344 1.00 1.06 C ATOM 719 CD1 ILE A 46 -7.271 -3.801 4.539 1.00 2.61 C ATOM 0 H ILE A 46 -6.996 -1.729 8.498 1.00 1.23 H new ATOM 0 HA ILE A 46 -8.125 -3.891 6.988 1.00 1.17 H new ATOM 0 HB ILE A 46 -5.669 -2.268 7.118 1.00 1.05 H new ATOM 0 HG12 ILE A 46 -7.556 -1.908 5.511 1.00 1.46 H new ATOM 0 HG13 ILE A 46 -6.002 -2.079 4.720 1.00 1.46 H new ATOM 0 HG21 ILE A 46 -4.285 -3.714 5.666 1.00 1.06 H new ATOM 0 HG22 ILE A 46 -4.541 -4.410 7.284 1.00 1.06 H new ATOM 0 HG23 ILE A 46 -5.454 -5.037 5.892 1.00 1.06 H new ATOM 0 HD11 ILE A 46 -7.711 -3.463 3.601 1.00 2.61 H new ATOM 0 HD12 ILE A 46 -6.450 -4.487 4.328 1.00 2.61 H new ATOM 0 HD13 ILE A 46 -8.029 -4.313 5.132 1.00 2.61 H new ATOM 731 N LYS A 47 -7.099 -6.056 7.751 1.00 1.24 N ATOM 732 CA LYS A 47 -6.679 -7.332 8.402 1.00 1.31 C ATOM 733 C LYS A 47 -5.760 -8.092 7.442 1.00 1.06 C ATOM 734 O LYS A 47 -5.669 -7.755 6.275 1.00 1.00 O ATOM 735 CB LYS A 47 -7.921 -8.186 8.711 1.00 1.72 C ATOM 736 CG LYS A 47 -8.881 -7.435 9.659 1.00 2.39 C ATOM 737 CD LYS A 47 -8.178 -7.129 10.995 1.00 3.18 C ATOM 738 CE LYS A 47 -9.204 -6.675 12.049 1.00 4.78 C ATOM 739 NZ LYS A 47 -9.887 -5.403 11.648 1.00 5.96 N ATOM 0 H LYS A 47 -7.627 -6.159 6.884 1.00 1.24 H new ATOM 0 HA LYS A 47 -6.152 -7.120 9.332 1.00 1.31 H new ATOM 0 HB2 LYS A 47 -8.438 -8.433 7.784 1.00 1.72 H new ATOM 0 HB3 LYS A 47 -7.616 -9.128 9.167 1.00 1.72 H new ATOM 0 HG2 LYS A 47 -9.212 -6.507 9.193 1.00 2.39 H new ATOM 0 HG3 LYS A 47 -9.772 -8.037 9.838 1.00 2.39 H new ATOM 0 HD2 LYS A 47 -7.652 -8.016 11.348 1.00 3.18 H new ATOM 0 HD3 LYS A 47 -7.428 -6.351 10.849 1.00 3.18 H new ATOM 0 HE2 LYS A 47 -9.949 -7.458 12.192 1.00 4.78 H new ATOM 0 HE3 LYS A 47 -8.703 -6.532 13.006 1.00 4.78 H new ATOM 0 HZ1 LYS A 47 -9.805 -4.707 12.417 1.00 5.96 H new ATOM 0 HZ2 LYS A 47 -9.439 -5.024 10.789 1.00 5.96 H new ATOM 0 HZ3 LYS A 47 -10.892 -5.593 11.459 1.00 5.96 H new ATOM 753 N PRO A 48 -5.088 -9.095 7.953 1.00 1.05 N ATOM 754 CA PRO A 48 -4.554 -10.170 7.098 1.00 1.08 C ATOM 755 C PRO A 48 -5.668 -10.807 6.253 1.00 1.13 C ATOM 756 O PRO A 48 -6.840 -10.716 6.595 1.00 1.20 O ATOM 757 CB PRO A 48 -3.934 -11.154 8.097 1.00 1.14 C ATOM 758 CG PRO A 48 -3.639 -10.321 9.364 1.00 1.12 C ATOM 759 CD PRO A 48 -4.704 -9.215 9.385 1.00 1.12 C ATOM 0 HA PRO A 48 -3.823 -9.820 6.369 1.00 1.08 H new ATOM 0 HB2 PRO A 48 -4.618 -11.974 8.316 1.00 1.14 H new ATOM 0 HB3 PRO A 48 -3.022 -11.597 7.697 1.00 1.14 H new ATOM 0 HG2 PRO A 48 -3.696 -10.938 10.261 1.00 1.12 H new ATOM 0 HG3 PRO A 48 -2.635 -9.898 9.331 1.00 1.12 H new ATOM 0 HD2 PRO A 48 -5.555 -9.486 10.010 1.00 1.12 H new ATOM 0 HD3 PRO A 48 -4.306 -8.279 9.776 1.00 1.12 H new ATOM 767 N HIS A 49 -5.263 -11.433 5.172 1.00 1.27 N ATOM 768 CA HIS A 49 -6.235 -12.105 4.238 1.00 1.47 C ATOM 769 C HIS A 49 -7.005 -11.030 3.460 1.00 1.36 C ATOM 770 O HIS A 49 -8.186 -11.157 3.197 1.00 1.61 O ATOM 771 CB HIS A 49 -7.216 -12.983 5.036 1.00 1.75 C ATOM 772 CG HIS A 49 -6.536 -13.783 6.145 1.00 1.52 C ATOM 773 ND1 HIS A 49 -5.578 -14.627 5.885 1.00 2.21 N ATOM 774 CD2 HIS A 49 -6.700 -13.786 7.506 1.00 2.05 C ATOM 775 CE1 HIS A 49 -5.148 -15.140 7.015 1.00 2.47 C ATOM 776 NE2 HIS A 49 -5.838 -14.623 8.000 1.00 2.08 N ATOM 0 H HIS A 49 -4.286 -11.510 4.890 1.00 1.27 H new ATOM 0 HA HIS A 49 -5.690 -12.741 3.541 1.00 1.47 H new ATOM 0 HB2 HIS A 49 -7.988 -12.350 5.474 1.00 1.75 H new ATOM 0 HB3 HIS A 49 -7.716 -13.671 4.354 1.00 1.75 H new ATOM 0 HD2 HIS A 49 -7.415 -13.200 8.065 1.00 2.05 H new ATOM 0 HE1 HIS A 49 -4.356 -15.868 7.115 1.00 2.47 H new ATOM 0 HE2 HIS A 49 -5.719 -14.841 8.989 1.00 2.08 H new ATOM 784 N SER A 50 -6.283 -9.998 3.099 1.00 1.21 N ATOM 785 CA SER A 50 -6.888 -8.854 2.350 1.00 1.35 C ATOM 786 C SER A 50 -5.842 -8.184 1.439 1.00 1.36 C ATOM 787 O SER A 50 -4.709 -8.612 1.390 1.00 2.10 O ATOM 788 CB SER A 50 -7.373 -7.837 3.386 1.00 1.31 C ATOM 789 OG SER A 50 -7.878 -6.750 2.625 1.00 2.66 O ATOM 0 H SER A 50 -5.287 -9.899 3.294 1.00 1.21 H new ATOM 0 HA SER A 50 -7.706 -9.211 1.724 1.00 1.35 H new ATOM 0 HB2 SER A 50 -8.145 -8.263 4.026 1.00 1.31 H new ATOM 0 HB3 SER A 50 -6.559 -7.518 4.037 1.00 1.31 H new ATOM 0 HG SER A 50 -8.211 -6.054 3.229 1.00 2.66 H new ATOM 795 N THR A 51 -6.276 -7.182 0.699 1.00 1.22 N ATOM 796 CA THR A 51 -5.376 -6.399 -0.186 1.00 1.36 C ATOM 797 C THR A 51 -5.844 -4.939 -0.084 1.00 1.27 C ATOM 798 O THR A 51 -7.039 -4.720 0.007 1.00 1.38 O ATOM 799 CB THR A 51 -5.481 -6.850 -1.652 1.00 1.95 C ATOM 800 OG1 THR A 51 -6.806 -6.560 -2.077 1.00 2.53 O ATOM 801 CG2 THR A 51 -5.360 -8.360 -1.837 1.00 1.79 C ATOM 0 H THR A 51 -7.248 -6.875 0.680 1.00 1.22 H new ATOM 0 HA THR A 51 -4.340 -6.536 0.123 1.00 1.36 H new ATOM 0 HB THR A 51 -4.681 -6.348 -2.196 1.00 1.95 H new ATOM 0 HG1 THR A 51 -7.249 -7.389 -2.355 1.00 2.53 H new ATOM 0 HG21 THR A 51 -5.443 -8.605 -2.896 1.00 1.79 H new ATOM 0 HG22 THR A 51 -4.393 -8.696 -1.462 1.00 1.79 H new ATOM 0 HG23 THR A 51 -6.157 -8.859 -1.286 1.00 1.79 H new ATOM 809 N VAL A 52 -4.968 -3.976 -0.202 1.00 1.26 N ATOM 810 CA VAL A 52 -5.444 -2.546 -0.080 1.00 1.20 C ATOM 811 C VAL A 52 -5.384 -1.832 -1.440 1.00 1.15 C ATOM 812 O VAL A 52 -4.469 -2.076 -2.188 1.00 1.32 O ATOM 813 CB VAL A 52 -4.541 -1.836 0.943 1.00 1.36 C ATOM 814 CG1 VAL A 52 -5.034 -0.405 1.196 1.00 2.19 C ATOM 815 CG2 VAL A 52 -4.561 -2.619 2.267 1.00 1.49 C ATOM 0 H VAL A 52 -3.970 -4.100 -0.373 1.00 1.26 H new ATOM 0 HA VAL A 52 -6.482 -2.524 0.251 1.00 1.20 H new ATOM 0 HB VAL A 52 -3.527 -1.794 0.546 1.00 1.36 H new ATOM 0 HG11 VAL A 52 -4.383 0.081 1.922 1.00 2.19 H new ATOM 0 HG12 VAL A 52 -5.018 0.156 0.262 1.00 2.19 H new ATOM 0 HG13 VAL A 52 -6.052 -0.434 1.584 1.00 2.19 H new ATOM 0 HG21 VAL A 52 -3.922 -2.119 2.995 1.00 1.49 H new ATOM 0 HG22 VAL A 52 -5.581 -2.662 2.649 1.00 1.49 H new ATOM 0 HG23 VAL A 52 -4.194 -3.631 2.097 1.00 1.49 H new ATOM 825 N ASP A 53 -6.325 -0.936 -1.692 1.00 1.07 N ATOM 826 CA ASP A 53 -6.365 -0.197 -3.006 1.00 1.19 C ATOM 827 C ASP A 53 -5.803 1.219 -2.808 1.00 1.22 C ATOM 828 O ASP A 53 -6.518 2.099 -2.355 1.00 1.28 O ATOM 829 CB ASP A 53 -7.821 -0.065 -3.486 1.00 1.66 C ATOM 830 CG ASP A 53 -8.383 -1.381 -4.005 1.00 1.69 C ATOM 831 OD1 ASP A 53 -8.052 -1.722 -5.113 1.00 2.19 O ATOM 832 OD2 ASP A 53 -9.185 -1.956 -3.288 1.00 2.66 O ATOM 0 H ASP A 53 -7.068 -0.686 -1.040 1.00 1.07 H new ATOM 0 HA ASP A 53 -5.775 -0.748 -3.739 1.00 1.19 H new ATOM 0 HB2 ASP A 53 -8.441 0.292 -2.664 1.00 1.66 H new ATOM 0 HB3 ASP A 53 -7.874 0.686 -4.275 1.00 1.66 H new ATOM 837 N PHE A 54 -4.572 1.419 -3.193 1.00 1.42 N ATOM 838 CA PHE A 54 -3.926 2.768 -2.998 1.00 1.70 C ATOM 839 C PHE A 54 -3.210 3.278 -4.266 1.00 2.10 C ATOM 840 O PHE A 54 -3.141 2.560 -5.243 1.00 2.28 O ATOM 841 CB PHE A 54 -2.909 2.663 -1.837 1.00 2.10 C ATOM 842 CG PHE A 54 -1.618 1.898 -2.233 1.00 1.57 C ATOM 843 CD1 PHE A 54 -1.606 0.895 -3.196 1.00 1.63 C ATOM 844 CD2 PHE A 54 -0.417 2.230 -1.623 1.00 2.42 C ATOM 845 CE1 PHE A 54 -0.434 0.259 -3.540 1.00 2.25 C ATOM 846 CE2 PHE A 54 0.754 1.592 -1.969 1.00 2.39 C ATOM 847 CZ PHE A 54 0.749 0.608 -2.930 1.00 2.19 C ATOM 0 H PHE A 54 -3.980 0.715 -3.634 1.00 1.42 H new ATOM 0 HA PHE A 54 -4.714 3.486 -2.770 1.00 1.70 H new ATOM 0 HB2 PHE A 54 -2.643 3.665 -1.502 1.00 2.10 H new ATOM 0 HB3 PHE A 54 -3.380 2.159 -0.993 1.00 2.10 H new ATOM 0 HD1 PHE A 54 -2.528 0.611 -3.681 1.00 1.63 H new ATOM 0 HD2 PHE A 54 -0.400 3.000 -0.866 1.00 2.42 H new ATOM 0 HE1 PHE A 54 -0.443 -0.517 -4.291 1.00 2.25 H new ATOM 0 HE2 PHE A 54 1.679 1.866 -1.484 1.00 2.39 H new ATOM 0 HZ PHE A 54 1.668 0.112 -3.204 1.00 2.19 H new ATOM 857 N ARG A 55 -2.661 4.494 -4.146 1.00 2.62 N ATOM 858 CA ARG A 55 -1.883 5.243 -5.233 1.00 3.28 C ATOM 859 C ARG A 55 -2.506 5.173 -6.643 1.00 1.64 C ATOM 860 O ARG A 55 -3.368 4.348 -6.854 1.00 2.29 O ATOM 861 CB ARG A 55 -0.446 4.718 -5.255 1.00 5.48 C ATOM 862 CG ARG A 55 -0.422 3.209 -5.479 1.00 6.51 C ATOM 863 CD ARG A 55 0.846 2.863 -6.225 1.00 8.58 C ATOM 864 NE ARG A 55 0.651 3.363 -7.616 1.00 8.39 N ATOM 865 CZ ARG A 55 1.192 4.474 -7.985 1.00 9.04 C ATOM 866 NH1 ARG A 55 2.430 4.678 -7.693 1.00 10.43 N ATOM 867 NH2 ARG A 55 0.440 5.353 -8.573 1.00 8.60 N ATOM 0 H ARG A 55 -2.728 5.029 -3.280 1.00 2.62 H new ATOM 0 HA ARG A 55 -1.916 6.300 -4.969 1.00 3.28 H new ATOM 0 HB2 ARG A 55 0.116 5.216 -6.045 1.00 5.48 H new ATOM 0 HB3 ARG A 55 0.048 4.958 -4.313 1.00 5.48 H new ATOM 0 HG2 ARG A 55 -0.458 2.682 -4.525 1.00 6.51 H new ATOM 0 HG3 ARG A 55 -1.296 2.895 -6.049 1.00 6.51 H new ATOM 0 HD2 ARG A 55 1.713 3.331 -5.760 1.00 8.58 H new ATOM 0 HD3 ARG A 55 1.022 1.787 -6.218 1.00 8.58 H new ATOM 0 HE ARG A 55 0.089 2.826 -8.276 1.00 8.39 H new ATOM 0 HH11 ARG A 55 2.957 3.970 -7.182 1.00 10.43 H new ATOM 0 HH12 ARG A 55 2.883 5.548 -7.973 1.00 10.43 H new ATOM 0 HH21 ARG A 55 -0.548 5.155 -8.731 1.00 8.60 H new ATOM 0 HH22 ARG A 55 0.837 6.242 -8.877 1.00 8.60 H new ATOM 881 N VAL A 56 -2.069 6.032 -7.613 1.00 1.92 N ATOM 882 CA VAL A 56 -2.721 5.980 -8.964 1.00 2.35 C ATOM 883 C VAL A 56 -2.274 6.941 -10.075 1.00 2.08 C ATOM 884 O VAL A 56 -2.325 6.611 -11.250 1.00 2.81 O ATOM 885 CB VAL A 56 -4.209 6.148 -8.677 1.00 4.25 C ATOM 886 CG1 VAL A 56 -4.424 7.291 -7.650 1.00 5.67 C ATOM 887 CG2 VAL A 56 -5.026 6.482 -9.924 1.00 5.05 C ATOM 0 H VAL A 56 -1.325 6.721 -7.504 1.00 1.92 H new ATOM 0 HA VAL A 56 -2.414 5.035 -9.411 1.00 2.35 H new ATOM 0 HB VAL A 56 -4.552 5.189 -8.288 1.00 4.25 H new ATOM 0 HG11 VAL A 56 -5.489 7.405 -7.450 1.00 5.67 H new ATOM 0 HG12 VAL A 56 -3.905 7.049 -6.723 1.00 5.67 H new ATOM 0 HG13 VAL A 56 -4.029 8.223 -8.055 1.00 5.67 H new ATOM 0 HG21 VAL A 56 -6.076 6.589 -9.653 1.00 5.05 H new ATOM 0 HG22 VAL A 56 -4.666 7.416 -10.356 1.00 5.05 H new ATOM 0 HG23 VAL A 56 -4.920 5.680 -10.654 1.00 5.05 H new ATOM 897 N LYS A 57 -1.802 8.029 -9.693 1.00 1.77 N ATOM 898 CA LYS A 57 -1.402 9.063 -10.716 1.00 1.89 C ATOM 899 C LYS A 57 0.060 8.889 -11.146 1.00 1.70 C ATOM 900 O LYS A 57 0.618 7.816 -11.003 1.00 2.61 O ATOM 901 CB LYS A 57 -1.610 10.462 -10.119 1.00 2.47 C ATOM 902 CG LYS A 57 -3.100 10.717 -9.823 1.00 3.57 C ATOM 903 CD LYS A 57 -3.277 11.342 -8.424 1.00 3.48 C ATOM 904 CE LYS A 57 -2.426 12.613 -8.255 1.00 3.86 C ATOM 905 NZ LYS A 57 -2.664 13.588 -9.365 1.00 5.11 N ATOM 0 H LYS A 57 -1.656 8.295 -8.719 1.00 1.77 H new ATOM 0 HA LYS A 57 -2.024 8.936 -11.602 1.00 1.89 H new ATOM 0 HB2 LYS A 57 -1.031 10.560 -9.201 1.00 2.47 H new ATOM 0 HB3 LYS A 57 -1.238 11.217 -10.812 1.00 2.47 H new ATOM 0 HG2 LYS A 57 -3.518 11.381 -10.579 1.00 3.57 H new ATOM 0 HG3 LYS A 57 -3.653 9.780 -9.881 1.00 3.57 H new ATOM 0 HD2 LYS A 57 -4.328 11.584 -8.264 1.00 3.48 H new ATOM 0 HD3 LYS A 57 -2.998 10.614 -7.662 1.00 3.48 H new ATOM 0 HE2 LYS A 57 -2.660 13.084 -7.300 1.00 3.86 H new ATOM 0 HE3 LYS A 57 -1.370 12.343 -8.227 1.00 3.86 H new ATOM 0 HZ1 LYS A 57 -2.037 14.409 -9.246 1.00 5.11 H new ATOM 0 HZ2 LYS A 57 -2.466 13.130 -10.278 1.00 5.11 H new ATOM 0 HZ3 LYS A 57 -3.655 13.903 -9.344 1.00 5.11 H new ATOM 919 N ALA A 58 0.637 9.930 -11.705 1.00 1.71 N ATOM 920 CA ALA A 58 2.063 9.837 -12.140 1.00 1.62 C ATOM 921 C ALA A 58 2.953 10.375 -11.025 1.00 1.60 C ATOM 922 O ALA A 58 3.910 9.737 -10.622 1.00 2.13 O ATOM 923 CB ALA A 58 2.280 10.662 -13.420 1.00 2.09 C ATOM 0 H ALA A 58 0.185 10.828 -11.876 1.00 1.71 H new ATOM 0 HA ALA A 58 2.314 8.797 -12.348 1.00 1.62 H new ATOM 0 HB1 ALA A 58 3.323 10.587 -13.729 1.00 2.09 H new ATOM 0 HB2 ALA A 58 1.639 10.278 -14.213 1.00 2.09 H new ATOM 0 HB3 ALA A 58 2.033 11.706 -13.226 1.00 2.09 H new ATOM 929 N GLU A 59 2.567 11.509 -10.503 1.00 1.93 N ATOM 930 CA GLU A 59 3.348 12.164 -9.407 1.00 2.32 C ATOM 931 C GLU A 59 3.625 11.244 -8.206 1.00 2.35 C ATOM 932 O GLU A 59 4.273 11.665 -7.267 1.00 3.23 O ATOM 933 CB GLU A 59 2.570 13.400 -8.920 1.00 2.87 C ATOM 934 CG GLU A 59 1.081 13.057 -8.713 1.00 3.37 C ATOM 935 CD GLU A 59 0.264 13.689 -9.840 1.00 3.94 C ATOM 936 OE1 GLU A 59 0.115 13.026 -10.849 1.00 4.52 O ATOM 937 OE2 GLU A 59 -0.195 14.803 -9.633 1.00 4.71 O ATOM 0 H GLU A 59 1.732 12.018 -10.792 1.00 1.93 H new ATOM 0 HA GLU A 59 4.319 12.431 -9.825 1.00 2.32 H new ATOM 0 HB2 GLU A 59 2.999 13.761 -7.985 1.00 2.87 H new ATOM 0 HB3 GLU A 59 2.665 14.206 -9.647 1.00 2.87 H new ATOM 0 HG2 GLU A 59 0.941 11.976 -8.707 1.00 3.37 H new ATOM 0 HG3 GLU A 59 0.740 13.428 -7.747 1.00 3.37 H new ATOM 944 N ASP A 60 3.136 10.037 -8.236 1.00 2.15 N ATOM 945 CA ASP A 60 3.362 9.096 -7.095 1.00 2.75 C ATOM 946 C ASP A 60 3.914 7.736 -7.559 1.00 2.12 C ATOM 947 O ASP A 60 3.689 6.737 -6.908 1.00 2.94 O ATOM 948 CB ASP A 60 2.016 8.894 -6.361 1.00 4.00 C ATOM 949 CG ASP A 60 0.908 8.479 -7.347 1.00 5.22 C ATOM 950 OD1 ASP A 60 0.671 9.242 -8.269 1.00 5.61 O ATOM 951 OD2 ASP A 60 0.355 7.416 -7.132 1.00 6.27 O ATOM 0 H ASP A 60 2.585 9.656 -9.005 1.00 2.15 H new ATOM 0 HA ASP A 60 4.109 9.530 -6.431 1.00 2.75 H new ATOM 0 HB2 ASP A 60 2.128 8.130 -5.592 1.00 4.00 H new ATOM 0 HB3 ASP A 60 1.731 9.817 -5.855 1.00 4.00 H new ATOM 956 N ILE A 61 4.630 7.701 -8.650 1.00 1.10 N ATOM 957 CA ILE A 61 5.172 6.378 -9.110 1.00 1.17 C ATOM 958 C ILE A 61 6.678 6.302 -8.842 1.00 1.30 C ATOM 959 O ILE A 61 7.301 7.264 -8.426 1.00 2.85 O ATOM 960 CB ILE A 61 4.886 6.183 -10.618 1.00 1.41 C ATOM 961 CG1 ILE A 61 3.396 6.446 -10.893 1.00 1.71 C ATOM 962 CG2 ILE A 61 5.215 4.730 -11.039 1.00 2.04 C ATOM 963 CD1 ILE A 61 3.116 6.384 -12.400 1.00 2.59 C ATOM 0 H ILE A 61 4.862 8.505 -9.233 1.00 1.10 H new ATOM 0 HA ILE A 61 4.678 5.582 -8.553 1.00 1.17 H new ATOM 0 HB ILE A 61 5.505 6.878 -11.185 1.00 1.41 H new ATOM 0 HG12 ILE A 61 2.787 5.707 -10.372 1.00 1.71 H new ATOM 0 HG13 ILE A 61 3.114 7.424 -10.503 1.00 1.71 H new ATOM 0 HG21 ILE A 61 5.010 4.604 -12.102 1.00 2.04 H new ATOM 0 HG22 ILE A 61 6.268 4.525 -10.846 1.00 2.04 H new ATOM 0 HG23 ILE A 61 4.599 4.037 -10.466 1.00 2.04 H new ATOM 0 HD11 ILE A 61 2.058 6.572 -12.581 1.00 2.59 H new ATOM 0 HD12 ILE A 61 3.712 7.140 -12.912 1.00 2.59 H new ATOM 0 HD13 ILE A 61 3.379 5.396 -12.779 1.00 2.59 H new ATOM 975 N LEU A 62 7.199 5.116 -9.025 1.00 1.33 N ATOM 976 CA LEU A 62 8.628 4.802 -8.843 1.00 1.20 C ATOM 977 C LEU A 62 8.914 4.609 -7.367 1.00 1.13 C ATOM 978 O LEU A 62 9.334 3.556 -6.965 1.00 1.33 O ATOM 979 CB LEU A 62 9.500 5.910 -9.416 1.00 1.27 C ATOM 980 CG LEU A 62 9.165 6.176 -10.898 1.00 2.17 C ATOM 981 CD1 LEU A 62 10.007 7.360 -11.397 1.00 2.85 C ATOM 982 CD2 LEU A 62 9.490 4.937 -11.742 1.00 3.37 C ATOM 0 H LEU A 62 6.644 4.310 -9.312 1.00 1.33 H new ATOM 0 HA LEU A 62 8.863 3.882 -9.379 1.00 1.20 H new ATOM 0 HB2 LEU A 62 9.357 6.824 -8.839 1.00 1.27 H new ATOM 0 HB3 LEU A 62 10.550 5.635 -9.322 1.00 1.27 H new ATOM 0 HG LEU A 62 8.103 6.404 -10.991 1.00 2.17 H new ATOM 0 HD11 LEU A 62 9.776 7.555 -12.444 1.00 2.85 H new ATOM 0 HD12 LEU A 62 9.777 8.245 -10.804 1.00 2.85 H new ATOM 0 HD13 LEU A 62 11.066 7.121 -11.297 1.00 2.85 H new ATOM 0 HD21 LEU A 62 9.250 5.135 -12.787 1.00 3.37 H new ATOM 0 HD22 LEU A 62 10.551 4.703 -11.652 1.00 3.37 H new ATOM 0 HD23 LEU A 62 8.901 4.091 -11.388 1.00 3.37 H new ATOM 994 N ALA A 63 8.626 5.607 -6.584 1.00 1.08 N ATOM 995 CA ALA A 63 8.892 5.481 -5.119 1.00 1.10 C ATOM 996 C ALA A 63 7.866 4.560 -4.448 1.00 0.95 C ATOM 997 O ALA A 63 8.192 3.826 -3.542 1.00 1.20 O ATOM 998 CB ALA A 63 8.813 6.866 -4.479 1.00 1.32 C ATOM 0 H ALA A 63 8.223 6.495 -6.885 1.00 1.08 H new ATOM 0 HA ALA A 63 9.884 5.050 -4.982 1.00 1.10 H new ATOM 0 HB1 ALA A 63 9.006 6.784 -3.409 1.00 1.32 H new ATOM 0 HB2 ALA A 63 9.558 7.520 -4.933 1.00 1.32 H new ATOM 0 HB3 ALA A 63 7.819 7.284 -4.637 1.00 1.32 H new ATOM 1004 N VAL A 64 6.646 4.614 -4.903 1.00 0.81 N ATOM 1005 CA VAL A 64 5.582 3.752 -4.288 1.00 0.73 C ATOM 1006 C VAL A 64 5.647 2.343 -4.845 1.00 0.67 C ATOM 1007 O VAL A 64 5.098 1.434 -4.260 1.00 1.09 O ATOM 1008 CB VAL A 64 4.208 4.408 -4.556 1.00 0.87 C ATOM 1009 CG1 VAL A 64 3.109 3.707 -3.747 1.00 1.13 C ATOM 1010 CG2 VAL A 64 4.245 5.896 -4.159 1.00 1.18 C ATOM 0 H VAL A 64 6.334 5.211 -5.669 1.00 0.81 H new ATOM 0 HA VAL A 64 5.737 3.673 -3.212 1.00 0.73 H new ATOM 0 HB VAL A 64 3.990 4.314 -5.620 1.00 0.87 H new ATOM 0 HG11 VAL A 64 2.149 4.183 -3.949 1.00 1.13 H new ATOM 0 HG12 VAL A 64 3.061 2.656 -4.033 1.00 1.13 H new ATOM 0 HG13 VAL A 64 3.335 3.783 -2.683 1.00 1.13 H new ATOM 0 HG21 VAL A 64 3.272 6.348 -4.352 1.00 1.18 H new ATOM 0 HG22 VAL A 64 4.482 5.984 -3.099 1.00 1.18 H new ATOM 0 HG23 VAL A 64 5.007 6.410 -4.745 1.00 1.18 H new ATOM 1020 N GLU A 65 6.326 2.180 -5.931 1.00 0.68 N ATOM 1021 CA GLU A 65 6.473 0.818 -6.491 1.00 0.73 C ATOM 1022 C GLU A 65 7.759 0.300 -5.838 1.00 0.73 C ATOM 1023 O GLU A 65 7.783 -0.779 -5.282 1.00 0.82 O ATOM 1024 CB GLU A 65 6.558 0.908 -8.023 1.00 0.91 C ATOM 1025 CG GLU A 65 5.186 1.283 -8.610 1.00 1.29 C ATOM 1026 CD GLU A 65 4.600 2.474 -7.865 1.00 2.70 C ATOM 1027 OE1 GLU A 65 5.239 3.513 -7.886 1.00 3.58 O ATOM 1028 OE2 GLU A 65 3.548 2.278 -7.299 1.00 4.12 O ATOM 0 H GLU A 65 6.785 2.925 -6.456 1.00 0.68 H new ATOM 0 HA GLU A 65 5.639 0.146 -6.289 1.00 0.73 H new ATOM 0 HB2 GLU A 65 7.300 1.653 -8.310 1.00 0.91 H new ATOM 0 HB3 GLU A 65 6.889 -0.046 -8.433 1.00 0.91 H new ATOM 0 HG2 GLU A 65 5.289 1.522 -9.668 1.00 1.29 H new ATOM 0 HG3 GLU A 65 4.508 0.432 -8.540 1.00 1.29 H new ATOM 1035 N ASP A 66 8.788 1.127 -5.888 1.00 0.76 N ATOM 1036 CA ASP A 66 10.095 0.785 -5.241 1.00 0.86 C ATOM 1037 C ASP A 66 9.813 0.288 -3.829 1.00 0.81 C ATOM 1038 O ASP A 66 10.264 -0.771 -3.436 1.00 0.84 O ATOM 1039 CB ASP A 66 10.968 2.046 -5.132 1.00 0.96 C ATOM 1040 CG ASP A 66 12.116 1.786 -4.153 1.00 1.49 C ATOM 1041 OD1 ASP A 66 13.004 1.043 -4.532 1.00 2.24 O ATOM 1042 OD2 ASP A 66 12.014 2.319 -3.060 1.00 2.29 O ATOM 0 H ASP A 66 8.771 2.033 -6.356 1.00 0.76 H new ATOM 0 HA ASP A 66 10.608 0.028 -5.834 1.00 0.86 H new ATOM 0 HB2 ASP A 66 11.364 2.313 -6.112 1.00 0.96 H new ATOM 0 HB3 ASP A 66 10.368 2.889 -4.790 1.00 0.96 H new ATOM 1047 N PHE A 67 9.113 1.122 -3.094 1.00 0.74 N ATOM 1048 CA PHE A 67 8.734 0.776 -1.697 1.00 0.72 C ATOM 1049 C PHE A 67 8.390 -0.704 -1.606 1.00 0.81 C ATOM 1050 O PHE A 67 8.895 -1.408 -0.766 1.00 0.93 O ATOM 1051 CB PHE A 67 7.523 1.598 -1.258 1.00 0.81 C ATOM 1052 CG PHE A 67 7.240 1.267 0.213 1.00 0.84 C ATOM 1053 CD1 PHE A 67 8.135 1.651 1.198 1.00 1.07 C ATOM 1054 CD2 PHE A 67 6.127 0.525 0.567 1.00 0.79 C ATOM 1055 CE1 PHE A 67 7.924 1.293 2.512 1.00 1.12 C ATOM 1056 CE2 PHE A 67 5.918 0.169 1.882 1.00 0.85 C ATOM 1057 CZ PHE A 67 6.816 0.552 2.853 1.00 0.96 C ATOM 0 H PHE A 67 8.788 2.035 -3.411 1.00 0.74 H new ATOM 0 HA PHE A 67 9.578 0.999 -1.044 1.00 0.72 H new ATOM 0 HB2 PHE A 67 7.720 2.663 -1.379 1.00 0.81 H new ATOM 0 HB3 PHE A 67 6.657 1.362 -1.876 1.00 0.81 H new ATOM 0 HD1 PHE A 67 9.004 2.235 0.934 1.00 1.07 H new ATOM 0 HD2 PHE A 67 5.419 0.223 -0.191 1.00 0.79 H new ATOM 0 HE1 PHE A 67 8.628 1.594 3.274 1.00 1.12 H new ATOM 0 HE2 PHE A 67 5.048 -0.412 2.151 1.00 0.85 H new ATOM 0 HZ PHE A 67 6.651 0.271 3.883 1.00 0.96 H new ATOM 1067 N LEU A 68 7.502 -1.130 -2.451 1.00 0.88 N ATOM 1068 CA LEU A 68 7.123 -2.587 -2.430 1.00 1.08 C ATOM 1069 C LEU A 68 8.343 -3.503 -2.682 1.00 1.20 C ATOM 1070 O LEU A 68 8.442 -4.578 -2.105 1.00 1.47 O ATOM 1071 CB LEU A 68 6.061 -2.861 -3.502 1.00 1.35 C ATOM 1072 CG LEU A 68 4.754 -2.122 -3.157 1.00 1.47 C ATOM 1073 CD1 LEU A 68 3.814 -2.206 -4.362 1.00 1.74 C ATOM 1074 CD2 LEU A 68 4.071 -2.773 -1.937 1.00 1.63 C ATOM 0 H LEU A 68 7.024 -0.557 -3.146 1.00 0.88 H new ATOM 0 HA LEU A 68 6.729 -2.810 -1.438 1.00 1.08 H new ATOM 0 HB2 LEU A 68 6.425 -2.536 -4.477 1.00 1.35 H new ATOM 0 HB3 LEU A 68 5.874 -3.932 -3.573 1.00 1.35 H new ATOM 0 HG LEU A 68 4.981 -1.083 -2.918 1.00 1.47 H new ATOM 0 HD11 LEU A 68 2.883 -1.687 -4.134 1.00 1.74 H new ATOM 0 HD12 LEU A 68 4.287 -1.739 -5.226 1.00 1.74 H new ATOM 0 HD13 LEU A 68 3.601 -3.251 -4.585 1.00 1.74 H new ATOM 0 HD21 LEU A 68 3.149 -2.238 -1.708 1.00 1.63 H new ATOM 0 HD22 LEU A 68 3.840 -3.814 -2.162 1.00 1.63 H new ATOM 0 HD23 LEU A 68 4.740 -2.727 -1.078 1.00 1.63 H new ATOM 1086 N GLU A 69 9.223 -3.084 -3.548 1.00 1.19 N ATOM 1087 CA GLU A 69 10.421 -3.922 -3.849 1.00 1.40 C ATOM 1088 C GLU A 69 11.416 -3.927 -2.678 1.00 1.37 C ATOM 1089 O GLU A 69 11.761 -4.983 -2.178 1.00 1.52 O ATOM 1090 CB GLU A 69 11.101 -3.367 -5.118 1.00 1.56 C ATOM 1091 CG GLU A 69 10.728 -4.203 -6.365 1.00 1.35 C ATOM 1092 CD GLU A 69 9.211 -4.220 -6.627 1.00 2.32 C ATOM 1093 OE1 GLU A 69 8.508 -4.752 -5.790 1.00 3.61 O ATOM 1094 OE2 GLU A 69 8.829 -3.758 -7.683 1.00 3.01 O ATOM 0 H GLU A 69 9.167 -2.203 -4.059 1.00 1.19 H new ATOM 0 HA GLU A 69 10.101 -4.952 -4.007 1.00 1.40 H new ATOM 0 HB2 GLU A 69 10.802 -2.330 -5.270 1.00 1.56 H new ATOM 0 HB3 GLU A 69 12.183 -3.371 -4.985 1.00 1.56 H new ATOM 0 HG2 GLU A 69 11.240 -3.798 -7.238 1.00 1.35 H new ATOM 0 HG3 GLU A 69 11.083 -5.225 -6.233 1.00 1.35 H new ATOM 1101 N GLN A 70 11.851 -2.753 -2.266 1.00 1.30 N ATOM 1102 CA GLN A 70 12.845 -2.660 -1.131 1.00 1.44 C ATOM 1103 C GLN A 70 12.536 -3.604 0.043 1.00 1.47 C ATOM 1104 O GLN A 70 13.446 -4.092 0.672 1.00 1.74 O ATOM 1105 CB GLN A 70 12.912 -1.221 -0.586 1.00 1.47 C ATOM 1106 CG GLN A 70 11.498 -0.712 -0.290 1.00 2.67 C ATOM 1107 CD GLN A 70 11.549 0.626 0.442 1.00 3.63 C ATOM 1108 OE1 GLN A 70 11.569 0.689 1.655 1.00 4.55 O ATOM 1109 NE2 GLN A 70 11.574 1.722 -0.252 1.00 3.70 N ATOM 0 H GLN A 70 11.564 -1.858 -2.662 1.00 1.30 H new ATOM 0 HA GLN A 70 13.800 -2.963 -1.560 1.00 1.44 H new ATOM 0 HB2 GLN A 70 13.516 -1.194 0.321 1.00 1.47 H new ATOM 0 HB3 GLN A 70 13.398 -0.570 -1.312 1.00 1.47 H new ATOM 0 HG2 GLN A 70 10.943 -0.602 -1.222 1.00 2.67 H new ATOM 0 HG3 GLN A 70 10.962 -1.443 0.315 1.00 2.67 H new ATOM 0 HE21 GLN A 70 11.558 1.681 -1.271 1.00 3.70 H new ATOM 0 HE22 GLN A 70 11.610 2.625 0.221 1.00 3.70 H new ATOM 1118 N ASN A 71 11.279 -3.789 0.335 1.00 1.29 N ATOM 1119 CA ASN A 71 10.886 -4.679 1.466 1.00 1.37 C ATOM 1120 C ASN A 71 10.132 -5.895 0.929 1.00 1.37 C ATOM 1121 O ASN A 71 9.167 -6.320 1.533 1.00 1.32 O ATOM 1122 CB ASN A 71 9.981 -3.881 2.415 1.00 1.29 C ATOM 1123 CG ASN A 71 8.991 -3.046 1.604 1.00 1.61 C ATOM 1124 OD1 ASN A 71 8.338 -3.529 0.706 1.00 3.23 O ATOM 1125 ND2 ASN A 71 8.862 -1.780 1.868 1.00 1.30 N ATOM 0 H ASN A 71 10.500 -3.359 -0.164 1.00 1.29 H new ATOM 0 HA ASN A 71 11.772 -5.026 1.997 1.00 1.37 H new ATOM 0 HB2 ASN A 71 9.442 -4.560 3.076 1.00 1.29 H new ATOM 0 HB3 ASN A 71 10.585 -3.232 3.049 1.00 1.29 H new ATOM 0 HD21 ASN A 71 8.218 -1.208 1.322 1.00 1.30 H new ATOM 0 HD22 ASN A 71 9.405 -1.358 2.621 1.00 1.30 H new ATOM 1132 N GLU A 72 10.650 -6.454 -0.149 1.00 1.79 N ATOM 1133 CA GLU A 72 10.016 -7.643 -0.825 1.00 1.99 C ATOM 1134 C GLU A 72 8.590 -7.889 -0.311 1.00 1.86 C ATOM 1135 O GLU A 72 8.266 -8.908 0.280 1.00 2.12 O ATOM 1136 CB GLU A 72 10.902 -8.898 -0.636 1.00 2.31 C ATOM 1137 CG GLU A 72 11.406 -9.027 0.815 1.00 4.07 C ATOM 1138 CD GLU A 72 12.638 -8.141 1.088 1.00 5.51 C ATOM 1139 OE1 GLU A 72 13.064 -7.455 0.166 1.00 6.00 O ATOM 1140 OE2 GLU A 72 13.094 -8.207 2.217 1.00 6.72 O ATOM 0 H GLU A 72 11.506 -6.127 -0.598 1.00 1.79 H new ATOM 0 HA GLU A 72 9.940 -7.428 -1.891 1.00 1.99 H new ATOM 0 HB2 GLU A 72 10.334 -9.788 -0.904 1.00 2.31 H new ATOM 0 HB3 GLU A 72 11.754 -8.847 -1.314 1.00 2.31 H new ATOM 0 HG2 GLU A 72 10.605 -8.753 1.501 1.00 4.07 H new ATOM 0 HG3 GLU A 72 11.658 -10.068 1.019 1.00 4.07 H new ATOM 1147 N LEU A 73 7.765 -6.913 -0.587 1.00 1.63 N ATOM 1148 CA LEU A 73 6.352 -6.982 -0.149 1.00 1.57 C ATOM 1149 C LEU A 73 5.534 -7.608 -1.270 1.00 1.76 C ATOM 1150 O LEU A 73 6.075 -7.970 -2.302 1.00 3.17 O ATOM 1151 CB LEU A 73 5.854 -5.553 0.128 1.00 1.49 C ATOM 1152 CG LEU A 73 5.200 -5.469 1.516 1.00 1.58 C ATOM 1153 CD1 LEU A 73 6.292 -5.423 2.598 1.00 2.32 C ATOM 1154 CD2 LEU A 73 4.336 -4.203 1.598 1.00 1.64 C ATOM 0 H LEU A 73 8.017 -6.069 -1.101 1.00 1.63 H new ATOM 0 HA LEU A 73 6.253 -7.581 0.756 1.00 1.57 H new ATOM 0 HB2 LEU A 73 6.688 -4.854 0.070 1.00 1.49 H new ATOM 0 HB3 LEU A 73 5.136 -5.257 -0.637 1.00 1.49 H new ATOM 0 HG LEU A 73 4.572 -6.346 1.676 1.00 1.58 H new ATOM 0 HD11 LEU A 73 5.827 -5.363 3.582 1.00 2.32 H new ATOM 0 HD12 LEU A 73 6.901 -6.325 2.539 1.00 2.32 H new ATOM 0 HD13 LEU A 73 6.923 -4.548 2.441 1.00 2.32 H new ATOM 0 HD21 LEU A 73 3.872 -4.143 2.582 1.00 1.64 H new ATOM 0 HD22 LEU A 73 4.961 -3.325 1.437 1.00 1.64 H new ATOM 0 HD23 LEU A 73 3.561 -4.241 0.833 1.00 1.64 H new ATOM 1166 N GLN A 74 4.248 -7.716 -1.059 1.00 0.74 N ATOM 1167 CA GLN A 74 3.384 -8.323 -2.108 1.00 0.89 C ATOM 1168 C GLN A 74 2.346 -7.319 -2.600 1.00 0.85 C ATOM 1169 O GLN A 74 1.828 -6.508 -1.848 1.00 1.62 O ATOM 1170 CB GLN A 74 2.681 -9.558 -1.533 1.00 1.17 C ATOM 1171 CG GLN A 74 3.702 -10.699 -1.398 1.00 1.90 C ATOM 1172 CD GLN A 74 3.020 -11.958 -0.852 1.00 2.64 C ATOM 1173 OE1 GLN A 74 1.843 -11.868 -0.306 1.00 3.61 O flip ATOM 1174 NE2 GLN A 74 3.575 -13.038 -0.898 1.00 3.64 N flip ATOM 0 H GLN A 74 3.765 -7.413 -0.214 1.00 0.74 H new ATOM 0 HA GLN A 74 4.007 -8.614 -2.954 1.00 0.89 H new ATOM 0 HB2 GLN A 74 2.246 -9.325 -0.561 1.00 1.17 H new ATOM 0 HB3 GLN A 74 1.861 -9.862 -2.184 1.00 1.17 H new ATOM 0 HG2 GLN A 74 4.151 -10.912 -2.368 1.00 1.90 H new ATOM 0 HG3 GLN A 74 4.510 -10.397 -0.732 1.00 1.90 H new ATOM 0 HE21 GLN A 74 4.498 -13.119 -1.324 1.00 3.64 H new ATOM 0 HE22 GLN A 74 3.118 -13.863 -0.511 1.00 3.64 H new ATOM 1183 N TYR A 75 2.100 -7.395 -3.878 1.00 1.02 N ATOM 1184 CA TYR A 75 1.113 -6.502 -4.535 1.00 1.05 C ATOM 1185 C TYR A 75 0.625 -7.198 -5.807 1.00 1.23 C ATOM 1186 O TYR A 75 1.362 -7.981 -6.381 1.00 1.26 O ATOM 1187 CB TYR A 75 1.785 -5.161 -4.878 1.00 1.13 C ATOM 1188 CG TYR A 75 3.130 -5.387 -5.598 1.00 1.17 C ATOM 1189 CD1 TYR A 75 4.248 -5.824 -4.906 1.00 1.19 C ATOM 1190 CD2 TYR A 75 3.250 -5.138 -6.951 1.00 1.34 C ATOM 1191 CE1 TYR A 75 5.457 -5.996 -5.555 1.00 1.32 C ATOM 1192 CE2 TYR A 75 4.458 -5.313 -7.596 1.00 1.46 C ATOM 1193 CZ TYR A 75 5.568 -5.746 -6.906 1.00 1.44 C ATOM 1194 OH TYR A 75 6.765 -5.931 -7.563 1.00 1.67 O ATOM 0 H TYR A 75 2.555 -8.056 -4.507 1.00 1.02 H new ATOM 0 HA TYR A 75 0.269 -6.302 -3.875 1.00 1.05 H new ATOM 0 HB2 TYR A 75 1.124 -4.570 -5.512 1.00 1.13 H new ATOM 0 HB3 TYR A 75 1.948 -4.588 -3.965 1.00 1.13 H new ATOM 0 HD1 TYR A 75 4.175 -6.032 -3.849 1.00 1.19 H new ATOM 0 HD2 TYR A 75 2.389 -4.803 -7.511 1.00 1.34 H new ATOM 0 HE1 TYR A 75 6.321 -6.329 -4.999 1.00 1.32 H new ATOM 0 HE2 TYR A 75 4.533 -5.108 -8.654 1.00 1.46 H new ATOM 0 HH TYR A 75 7.480 -6.072 -6.907 1.00 1.67 H new ATOM 1204 N GLU A 76 -0.585 -6.897 -6.217 1.00 1.44 N ATOM 1205 CA GLU A 76 -1.153 -7.529 -7.456 1.00 1.72 C ATOM 1206 C GLU A 76 -1.951 -6.489 -8.267 1.00 1.97 C ATOM 1207 O GLU A 76 -2.307 -5.439 -7.749 1.00 1.96 O ATOM 1208 CB GLU A 76 -2.105 -8.671 -7.058 1.00 1.85 C ATOM 1209 CG GLU A 76 -1.353 -9.815 -6.344 1.00 2.57 C ATOM 1210 CD GLU A 76 -2.330 -10.964 -6.022 1.00 3.35 C ATOM 1211 OE1 GLU A 76 -3.280 -11.113 -6.776 1.00 3.44 O ATOM 1212 OE2 GLU A 76 -2.065 -11.644 -5.044 1.00 4.54 O ATOM 0 H GLU A 76 -1.207 -6.239 -5.747 1.00 1.44 H new ATOM 0 HA GLU A 76 -0.331 -7.912 -8.060 1.00 1.72 H new ATOM 0 HB2 GLU A 76 -2.885 -8.283 -6.403 1.00 1.85 H new ATOM 0 HB3 GLU A 76 -2.600 -9.060 -7.948 1.00 1.85 H new ATOM 0 HG2 GLU A 76 -0.544 -10.180 -6.976 1.00 2.57 H new ATOM 0 HG3 GLU A 76 -0.898 -9.445 -5.425 1.00 2.57 H new ATOM 1219 N VAL A 77 -2.246 -6.806 -9.506 1.00 2.35 N ATOM 1220 CA VAL A 77 -3.042 -5.857 -10.355 1.00 2.73 C ATOM 1221 C VAL A 77 -4.279 -6.608 -10.868 1.00 3.12 C ATOM 1222 O VAL A 77 -4.141 -7.534 -11.640 1.00 3.48 O ATOM 1223 CB VAL A 77 -2.210 -5.375 -11.561 1.00 2.96 C ATOM 1224 CG1 VAL A 77 -2.990 -4.297 -12.334 1.00 3.52 C ATOM 1225 CG2 VAL A 77 -0.880 -4.773 -11.088 1.00 2.80 C ATOM 0 H VAL A 77 -1.973 -7.675 -9.965 1.00 2.35 H new ATOM 0 HA VAL A 77 -3.326 -4.987 -9.763 1.00 2.73 H new ATOM 0 HB VAL A 77 -2.013 -6.231 -12.206 1.00 2.96 H new ATOM 0 HG11 VAL A 77 -2.398 -3.960 -13.185 1.00 3.52 H new ATOM 0 HG12 VAL A 77 -3.932 -4.714 -12.690 1.00 3.52 H new ATOM 0 HG13 VAL A 77 -3.193 -3.452 -11.676 1.00 3.52 H new ATOM 0 HG21 VAL A 77 -0.305 -4.438 -11.951 1.00 2.80 H new ATOM 0 HG22 VAL A 77 -1.077 -3.925 -10.432 1.00 2.80 H new ATOM 0 HG23 VAL A 77 -0.312 -5.528 -10.544 1.00 2.80 H new