USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 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 25 THR OG1 : rot 20:sc= 0.579 USER MOD Set 1.2: A 28 THR OG1 : rot -130:sc= 1.9 USER MOD Single : A 8 MET CE :methyl 168:sc= 0 (180deg=-0.0648) USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= -0.0663 (180deg=-0.85) USER MOD Single : A 18 GLN : amide:sc= 0.0171 X(o=0.017,f=-0.02) USER MOD Single : A 22 CYS SG : rot 180:sc= 0.0454 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.661 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 39 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.66) USER MOD Single : A 44 THR OG1 : rot 33:sc= 0.377 USER MOD Single : A 47 TYR OH : rot -15:sc= -0.203 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 63 HIS : no HD1:sc= -5.25! C(o=-5.2!,f=-6.6!) USER MOD Single : A 65 ASN : amide:sc= -4.5 K(o=-4.5,f=-9.5!) USER MOD Single : A 69 SER OG : rot 140:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0815 USER MOD Single : A 81 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.453 11.534 -3.711 1.00 0.00 N ATOM 60 CA GLY A 7 4.204 10.841 -3.454 1.00 0.00 C ATOM 61 C GLY A 7 3.678 11.095 -2.055 1.00 0.00 C ATOM 62 O GLY A 7 3.884 12.170 -1.492 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.459 11.160 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.350 9.770 -3.595 1.00 0.00 H new ATOM 66 N MET A 8 2.995 10.103 -1.493 1.00 0.00 N ATOM 67 CA MET A 8 2.437 10.225 -0.151 1.00 0.00 C ATOM 68 C MET A 8 2.874 9.057 0.728 1.00 0.00 C ATOM 69 O MET A 8 3.363 8.044 0.230 1.00 0.00 O ATOM 70 CB MET A 8 0.909 10.287 -0.214 1.00 0.00 C ATOM 71 CG MET A 8 0.380 11.524 -0.920 1.00 0.00 C ATOM 72 SD MET A 8 -1.299 11.947 -0.416 1.00 0.00 S ATOM 73 CE MET A 8 -0.993 12.699 1.181 1.00 0.00 C ATOM 0 H MET A 8 2.815 9.207 -1.945 1.00 0.00 H new ATOM 0 HA MET A 8 2.813 11.149 0.289 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.538 9.400 -0.727 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.510 10.259 0.800 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.040 12.366 -0.713 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.401 11.360 -1.997 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.897 13.202 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.711 11.928 1.898 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.185 13.425 1.092 1.00 0.00 H new ATOM 83 N GLU A 9 2.694 9.207 2.037 1.00 0.00 N ATOM 84 CA GLU A 9 3.072 8.164 2.983 1.00 0.00 C ATOM 85 C GLU A 9 1.837 7.540 3.627 1.00 0.00 C ATOM 86 O GLU A 9 1.147 8.180 4.422 1.00 0.00 O ATOM 87 CB GLU A 9 3.991 8.735 4.065 1.00 0.00 C ATOM 88 CG GLU A 9 5.335 9.207 3.535 1.00 0.00 C ATOM 89 CD GLU A 9 6.299 9.583 4.643 1.00 0.00 C ATOM 90 OE1 GLU A 9 6.939 8.672 5.209 1.00 0.00 O ATOM 91 OE2 GLU A 9 6.414 10.790 4.944 1.00 0.00 O ATOM 0 H GLU A 9 2.289 10.040 2.466 1.00 0.00 H new ATOM 0 HA GLU A 9 3.606 7.388 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.489 9.570 4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.157 7.974 4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.778 8.420 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.183 10.067 2.883 1.00 0.00 H new ATOM 98 N LEU A 10 1.564 6.288 3.278 1.00 0.00 N ATOM 99 CA LEU A 10 0.412 5.576 3.820 1.00 0.00 C ATOM 100 C LEU A 10 0.828 4.659 4.966 1.00 0.00 C ATOM 101 O LEU A 10 1.557 3.687 4.764 1.00 0.00 O ATOM 102 CB LEU A 10 -0.272 4.760 2.722 1.00 0.00 C ATOM 103 CG LEU A 10 -1.724 4.360 2.988 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.664 5.507 2.654 1.00 0.00 C ATOM 105 CD2 LEU A 10 -2.089 3.118 2.189 1.00 0.00 C ATOM 0 H LEU A 10 2.125 5.745 2.622 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.291 6.314 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.238 5.334 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.309 3.853 2.556 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.829 4.130 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.692 5.203 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.417 6.371 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.557 5.770 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.126 2.847 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.967 3.321 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.436 2.294 2.478 1.00 0.00 H new ATOM 117 N LYS A 11 0.359 4.973 6.168 1.00 0.00 N ATOM 118 CA LYS A 11 0.679 4.176 7.347 1.00 0.00 C ATOM 119 C LYS A 11 -0.271 2.989 7.475 1.00 0.00 C ATOM 120 O LYS A 11 -1.444 3.154 7.811 1.00 0.00 O ATOM 121 CB LYS A 11 0.606 5.040 8.608 1.00 0.00 C ATOM 122 CG LYS A 11 1.876 5.829 8.879 1.00 0.00 C ATOM 123 CD LYS A 11 1.919 7.111 8.066 1.00 0.00 C ATOM 124 CE LYS A 11 1.276 8.268 8.815 1.00 0.00 C ATOM 125 NZ LYS A 11 -0.182 8.371 8.529 1.00 0.00 N ATOM 0 H LYS A 11 -0.245 5.774 6.352 1.00 0.00 H new ATOM 0 HA LYS A 11 1.694 3.796 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.230 5.733 8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.396 4.400 9.465 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.938 6.068 9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.745 5.216 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.954 7.359 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.404 6.959 7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.428 8.136 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.768 9.200 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.444 9.371 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.401 7.855 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.720 7.959 9.318 1.00 0.00 H new ATOM 139 N VAL A 12 0.244 1.793 7.207 1.00 0.00 N ATOM 140 CA VAL A 12 -0.558 0.579 7.296 1.00 0.00 C ATOM 141 C VAL A 12 0.035 -0.399 8.304 1.00 0.00 C ATOM 142 O VAL A 12 1.161 -0.869 8.139 1.00 0.00 O ATOM 143 CB VAL A 12 -0.674 -0.119 5.927 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.548 -1.359 6.032 1.00 0.00 C ATOM 145 CG2 VAL A 12 -1.222 0.844 4.884 1.00 0.00 C ATOM 0 H VAL A 12 1.213 1.639 6.927 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.552 0.880 7.628 1.00 0.00 H new ATOM 0 HB VAL A 12 0.321 -0.432 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.618 -1.838 5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.108 -2.054 6.747 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.545 -1.074 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.298 0.335 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.209 1.189 5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.552 1.699 4.790 1.00 0.00 H new ATOM 155 N TRP A 13 -0.730 -0.702 9.346 1.00 0.00 N ATOM 156 CA TRP A 13 -0.280 -1.626 10.381 1.00 0.00 C ATOM 157 C TRP A 13 -0.295 -3.063 9.873 1.00 0.00 C ATOM 158 O TRP A 13 -1.339 -3.715 9.856 1.00 0.00 O ATOM 159 CB TRP A 13 -1.164 -1.502 11.623 1.00 0.00 C ATOM 160 CG TRP A 13 -1.116 -0.143 12.254 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.933 0.916 11.980 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.202 0.302 13.262 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.582 1.994 12.758 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.523 1.642 13.553 1.00 0.00 C ATOM 165 CE3 TRP A 13 0.855 -0.302 13.948 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.176 2.386 14.499 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.549 0.438 14.887 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.207 1.770 15.156 1.00 0.00 C ATOM 0 H TRP A 13 -1.664 -0.322 9.497 1.00 0.00 H new ATOM 0 HA TRP A 13 0.745 -1.365 10.645 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.194 -1.732 11.351 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.854 -2.246 12.356 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.737 0.908 11.258 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.036 2.907 12.745 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.125 -1.328 13.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.086 3.413 14.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.369 -0.018 15.422 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.768 2.321 15.896 1.00 0.00 H new ATOM 179 N VAL A 14 0.870 -3.552 9.459 1.00 0.00 N ATOM 180 CA VAL A 14 0.990 -4.914 8.951 1.00 0.00 C ATOM 181 C VAL A 14 1.574 -5.845 10.007 1.00 0.00 C ATOM 182 O VAL A 14 2.786 -5.872 10.224 1.00 0.00 O ATOM 183 CB VAL A 14 1.874 -4.966 7.691 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.013 -6.398 7.195 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.303 -4.070 6.603 1.00 0.00 C ATOM 0 H VAL A 14 1.744 -3.026 9.465 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.016 -5.246 8.695 1.00 0.00 H new ATOM 0 HB VAL A 14 2.867 -4.598 7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.641 -6.415 6.304 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.470 -7.010 7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.028 -6.796 6.952 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.940 -4.119 5.720 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.299 -4.406 6.345 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.260 -3.042 6.963 1.00 0.00 H new ATOM 195 N ASP A 15 0.705 -6.607 10.662 1.00 0.00 N ATOM 196 CA ASP A 15 1.134 -7.541 11.696 1.00 0.00 C ATOM 197 C ASP A 15 1.642 -6.796 12.926 1.00 0.00 C ATOM 198 O ASP A 15 2.582 -7.235 13.586 1.00 0.00 O ATOM 199 CB ASP A 15 2.228 -8.464 11.156 1.00 0.00 C ATOM 200 CG ASP A 15 2.422 -9.697 12.018 1.00 0.00 C ATOM 201 OD1 ASP A 15 1.529 -10.570 12.014 1.00 0.00 O ATOM 202 OD2 ASP A 15 3.467 -9.788 12.696 1.00 0.00 O ATOM 0 H ASP A 15 -0.301 -6.596 10.495 1.00 0.00 H new ATOM 0 HA ASP A 15 0.273 -8.142 11.988 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.973 -8.770 10.141 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.167 -7.914 11.097 1.00 0.00 H new ATOM 207 N GLY A 16 1.012 -5.664 13.227 1.00 0.00 N ATOM 208 CA GLY A 16 1.415 -4.874 14.377 1.00 0.00 C ATOM 209 C GLY A 16 2.643 -4.031 14.099 1.00 0.00 C ATOM 210 O GLY A 16 3.354 -3.633 15.022 1.00 0.00 O ATOM 0 H GLY A 16 0.231 -5.280 12.696 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.592 -4.224 14.674 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.617 -5.538 15.218 1.00 0.00 H new ATOM 214 N VAL A 17 2.896 -3.758 12.823 1.00 0.00 N ATOM 215 CA VAL A 17 4.047 -2.957 12.426 1.00 0.00 C ATOM 216 C VAL A 17 3.645 -1.870 11.435 1.00 0.00 C ATOM 217 O VAL A 17 2.944 -2.135 10.459 1.00 0.00 O ATOM 218 CB VAL A 17 5.148 -3.830 11.795 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.342 -2.977 11.393 1.00 0.00 C ATOM 220 CG2 VAL A 17 5.569 -4.932 12.755 1.00 0.00 C ATOM 0 H VAL A 17 2.319 -4.080 12.046 1.00 0.00 H new ATOM 0 HA VAL A 17 4.437 -2.493 13.332 1.00 0.00 H new ATOM 0 HB VAL A 17 4.746 -4.297 10.896 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.109 -3.611 10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.026 -2.228 10.667 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.747 -2.480 12.274 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.347 -5.539 12.293 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.953 -4.488 13.673 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.709 -5.560 12.988 1.00 0.00 H new ATOM 230 N GLN A 18 4.096 -0.646 11.692 1.00 0.00 N ATOM 231 CA GLN A 18 3.782 0.481 10.822 1.00 0.00 C ATOM 232 C GLN A 18 4.679 0.482 9.588 1.00 0.00 C ATOM 233 O GLN A 18 5.846 0.867 9.658 1.00 0.00 O ATOM 234 CB GLN A 18 3.940 1.799 11.583 1.00 0.00 C ATOM 235 CG GLN A 18 3.495 3.016 10.789 1.00 0.00 C ATOM 236 CD GLN A 18 3.359 4.257 11.650 1.00 0.00 C ATOM 237 OE1 GLN A 18 4.098 5.227 11.482 1.00 0.00 O ATOM 238 NE2 GLN A 18 2.410 4.231 12.579 1.00 0.00 N ATOM 0 H GLN A 18 4.679 -0.410 12.495 1.00 0.00 H new ATOM 0 HA GLN A 18 2.747 0.379 10.496 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.363 1.747 12.507 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.985 1.922 11.866 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.214 3.208 9.992 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.539 2.803 10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.820 3.405 12.683 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.271 5.037 13.189 1.00 0.00 H new ATOM 247 N ARG A 19 4.126 0.048 8.461 1.00 0.00 N ATOM 248 CA ARG A 19 4.876 -0.003 7.212 1.00 0.00 C ATOM 249 C ARG A 19 4.564 1.211 6.341 1.00 0.00 C ATOM 250 O ARG A 19 3.422 1.415 5.930 1.00 0.00 O ATOM 251 CB ARG A 19 4.552 -1.288 6.449 1.00 0.00 C ATOM 252 CG ARG A 19 4.872 -2.555 7.226 1.00 0.00 C ATOM 253 CD ARG A 19 6.343 -2.923 7.109 1.00 0.00 C ATOM 254 NE ARG A 19 6.762 -3.844 8.162 1.00 0.00 N ATOM 255 CZ ARG A 19 8.023 -4.214 8.356 1.00 0.00 C ATOM 256 NH1 ARG A 19 8.984 -3.743 7.573 1.00 0.00 N ATOM 257 NH2 ARG A 19 8.325 -5.057 9.335 1.00 0.00 N ATOM 0 H ARG A 19 3.161 -0.274 8.387 1.00 0.00 H new ATOM 0 HA ARG A 19 5.939 0.008 7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.493 -1.289 6.189 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.110 -1.295 5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.613 -2.415 8.275 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.260 -3.376 6.854 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.527 -3.378 6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.948 -2.018 7.157 1.00 0.00 H new ATOM 0 HE ARG A 19 6.047 -4.224 8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.756 -3.095 6.819 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.951 -4.029 7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.589 -5.422 9.939 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.294 -5.341 9.483 1.00 0.00 H new ATOM 271 N ILE A 20 5.587 2.012 6.064 1.00 0.00 N ATOM 272 CA ILE A 20 5.422 3.204 5.241 1.00 0.00 C ATOM 273 C ILE A 20 5.616 2.884 3.763 1.00 0.00 C ATOM 274 O ILE A 20 6.567 2.199 3.385 1.00 0.00 O ATOM 275 CB ILE A 20 6.413 4.311 5.650 1.00 0.00 C ATOM 276 CG1 ILE A 20 6.284 4.615 7.144 1.00 0.00 C ATOM 277 CG2 ILE A 20 6.172 5.567 4.825 1.00 0.00 C ATOM 278 CD1 ILE A 20 4.879 4.983 7.567 1.00 0.00 C ATOM 0 H ILE A 20 6.539 1.857 6.397 1.00 0.00 H new ATOM 0 HA ILE A 20 4.404 3.560 5.402 1.00 0.00 H new ATOM 0 HB ILE A 20 7.427 3.961 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.610 3.744 7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.958 5.433 7.400 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.879 6.340 5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.309 5.340 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.155 5.922 4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.863 5.185 8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.557 5.872 7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.204 4.157 7.343 1.00 0.00 H new ATOM 290 N VAL A 21 4.710 3.385 2.931 1.00 0.00 N ATOM 291 CA VAL A 21 4.782 3.155 1.493 1.00 0.00 C ATOM 292 C VAL A 21 4.696 4.467 0.721 1.00 0.00 C ATOM 293 O VAL A 21 3.638 5.094 0.658 1.00 0.00 O ATOM 294 CB VAL A 21 3.656 2.218 1.017 1.00 0.00 C ATOM 295 CG1 VAL A 21 3.726 2.022 -0.490 1.00 0.00 C ATOM 296 CG2 VAL A 21 3.734 0.882 1.741 1.00 0.00 C ATOM 0 H VAL A 21 3.917 3.953 3.228 1.00 0.00 H new ATOM 0 HA VAL A 21 5.745 2.683 1.296 1.00 0.00 H new ATOM 0 HB VAL A 21 2.697 2.679 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.923 1.357 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.618 2.986 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.687 1.582 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.931 0.232 1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.696 0.412 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.631 1.043 2.814 1.00 0.00 H new ATOM 306 N CYS A 22 5.816 4.877 0.136 1.00 0.00 N ATOM 307 CA CYS A 22 5.868 6.116 -0.632 1.00 0.00 C ATOM 308 C CYS A 22 5.584 5.853 -2.108 1.00 0.00 C ATOM 309 O CYS A 22 5.535 4.705 -2.546 1.00 0.00 O ATOM 310 CB CYS A 22 7.235 6.782 -0.474 1.00 0.00 C ATOM 311 SG CYS A 22 8.620 5.767 -1.042 1.00 0.00 S ATOM 0 H CYS A 22 6.700 4.370 0.179 1.00 0.00 H new ATOM 0 HA CYS A 22 5.099 6.786 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.236 7.721 -1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.387 7.030 0.576 1.00 0.00 H new ATOM 0 HG CYS A 22 9.733 6.416 -0.870 1.00 0.00 H new ATOM 317 N GLY A 23 5.397 6.927 -2.870 1.00 0.00 N ATOM 318 CA GLY A 23 5.119 6.791 -4.287 1.00 0.00 C ATOM 319 C GLY A 23 3.634 6.797 -4.590 1.00 0.00 C ATOM 320 O GLY A 23 3.195 7.394 -5.574 1.00 0.00 O ATOM 0 H GLY A 23 5.433 7.888 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.600 7.606 -4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.557 5.862 -4.653 1.00 0.00 H new ATOM 324 N VAL A 24 2.856 6.129 -3.744 1.00 0.00 N ATOM 325 CA VAL A 24 1.411 6.060 -3.925 1.00 0.00 C ATOM 326 C VAL A 24 0.824 7.440 -4.197 1.00 0.00 C ATOM 327 O VAL A 24 0.824 8.310 -3.325 1.00 0.00 O ATOM 328 CB VAL A 24 0.719 5.453 -2.691 1.00 0.00 C ATOM 329 CG1 VAL A 24 1.073 6.240 -1.439 1.00 0.00 C ATOM 330 CG2 VAL A 24 -0.788 5.409 -2.893 1.00 0.00 C ATOM 0 H VAL A 24 3.203 5.628 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 24 1.231 5.416 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 24 1.076 4.431 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.575 5.796 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.152 6.215 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.746 7.273 -1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.261 4.977 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.164 6.420 -3.048 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.020 4.798 -3.765 1.00 0.00 H new ATOM 340 N THR A 25 0.322 7.636 -5.412 1.00 0.00 N ATOM 341 CA THR A 25 -0.268 8.911 -5.800 1.00 0.00 C ATOM 342 C THR A 25 -1.789 8.823 -5.839 1.00 0.00 C ATOM 343 O THR A 25 -2.367 7.780 -5.535 1.00 0.00 O ATOM 344 CB THR A 25 0.244 9.371 -7.177 1.00 0.00 C ATOM 345 OG1 THR A 25 0.415 8.241 -8.040 1.00 0.00 O ATOM 346 CG2 THR A 25 1.564 10.116 -7.043 1.00 0.00 C ATOM 0 H THR A 25 0.312 6.927 -6.145 1.00 0.00 H new ATOM 0 HA THR A 25 0.032 9.640 -5.048 1.00 0.00 H new ATOM 0 HB THR A 25 -0.495 10.047 -7.606 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.115 7.489 -7.703 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.906 10.431 -8.029 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.425 10.992 -6.410 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.309 9.459 -6.594 1.00 0.00 H new ATOM 354 N GLU A 26 -2.431 9.924 -6.216 1.00 0.00 N ATOM 355 CA GLU A 26 -3.887 9.970 -6.295 1.00 0.00 C ATOM 356 C GLU A 26 -4.406 8.985 -7.338 1.00 0.00 C ATOM 357 O GLU A 26 -5.391 8.283 -7.108 1.00 0.00 O ATOM 358 CB GLU A 26 -4.357 11.386 -6.636 1.00 0.00 C ATOM 359 CG GLU A 26 -4.207 12.370 -5.488 1.00 0.00 C ATOM 360 CD GLU A 26 -5.434 12.421 -4.598 1.00 0.00 C ATOM 361 OE1 GLU A 26 -5.594 11.512 -3.757 1.00 0.00 O ATOM 362 OE2 GLU A 26 -6.234 13.368 -4.744 1.00 0.00 O ATOM 0 H GLU A 26 -1.967 10.796 -6.471 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.288 9.687 -5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.791 11.751 -7.493 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.404 11.350 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.340 12.094 -4.889 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.013 13.364 -5.890 1.00 0.00 H new ATOM 369 N VAL A 27 -3.737 8.939 -8.485 1.00 0.00 N ATOM 370 CA VAL A 27 -4.130 8.040 -9.564 1.00 0.00 C ATOM 371 C VAL A 27 -3.782 6.594 -9.229 1.00 0.00 C ATOM 372 O VAL A 27 -4.013 5.687 -10.028 1.00 0.00 O ATOM 373 CB VAL A 27 -3.450 8.426 -10.891 1.00 0.00 C ATOM 374 CG1 VAL A 27 -4.089 9.677 -11.475 1.00 0.00 C ATOM 375 CG2 VAL A 27 -1.956 8.626 -10.686 1.00 0.00 C ATOM 0 H VAL A 27 -2.920 9.514 -8.692 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.210 8.134 -9.677 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.590 7.611 -11.601 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.595 9.934 -12.412 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.147 9.492 -11.661 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.983 10.502 -10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.492 8.898 -11.634 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.792 9.422 -9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.512 7.701 -10.317 1.00 0.00 H new ATOM 385 N THR A 28 -3.225 6.386 -8.040 1.00 0.00 N ATOM 386 CA THR A 28 -2.844 5.050 -7.598 1.00 0.00 C ATOM 387 C THR A 28 -4.007 4.346 -6.909 1.00 0.00 C ATOM 388 O THR A 28 -4.791 4.973 -6.194 1.00 0.00 O ATOM 389 CB THR A 28 -1.644 5.098 -6.634 1.00 0.00 C ATOM 390 OG1 THR A 28 -0.565 5.828 -7.230 1.00 0.00 O ATOM 391 CG2 THR A 28 -1.179 3.694 -6.278 1.00 0.00 C ATOM 0 H THR A 28 -3.028 7.126 -7.366 1.00 0.00 H new ATOM 0 HA THR A 28 -2.562 4.491 -8.490 1.00 0.00 H new ATOM 0 HB THR A 28 -1.960 5.601 -5.720 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.261 5.306 -7.160 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.331 3.754 -5.596 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.993 3.152 -5.797 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.879 3.169 -7.185 1.00 0.00 H new ATOM 399 N THR A 29 -4.116 3.039 -7.128 1.00 0.00 N ATOM 400 CA THR A 29 -5.184 2.250 -6.528 1.00 0.00 C ATOM 401 C THR A 29 -4.684 1.485 -5.308 1.00 0.00 C ATOM 402 O THR A 29 -3.478 1.366 -5.090 1.00 0.00 O ATOM 403 CB THR A 29 -5.780 1.251 -7.538 1.00 0.00 C ATOM 404 OG1 THR A 29 -4.842 0.202 -7.800 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.143 1.950 -8.840 1.00 0.00 C ATOM 0 H THR A 29 -3.477 2.505 -7.717 1.00 0.00 H new ATOM 0 HA THR A 29 -5.960 2.951 -6.221 1.00 0.00 H new ATOM 0 HB THR A 29 -6.687 0.828 -7.106 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.229 -0.430 -8.442 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.562 1.225 -9.538 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.879 2.730 -8.642 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.249 2.397 -9.275 1.00 0.00 H new ATOM 413 N CYS A 30 -5.617 0.967 -4.517 1.00 0.00 N ATOM 414 CA CYS A 30 -5.270 0.212 -3.318 1.00 0.00 C ATOM 415 C CYS A 30 -4.385 -0.981 -3.664 1.00 0.00 C ATOM 416 O CYS A 30 -3.395 -1.249 -2.984 1.00 0.00 O ATOM 417 CB CYS A 30 -6.537 -0.266 -2.607 1.00 0.00 C ATOM 418 SG CYS A 30 -7.182 0.901 -1.385 1.00 0.00 S ATOM 0 H CYS A 30 -6.619 1.056 -4.684 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.715 0.871 -2.651 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.309 -0.459 -3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.328 -1.215 -2.113 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.255 0.409 -0.839 1.00 0.00 H new ATOM 424 N GLN A 31 -4.751 -1.695 -4.724 1.00 0.00 N ATOM 425 CA GLN A 31 -3.991 -2.861 -5.158 1.00 0.00 C ATOM 426 C GLN A 31 -2.500 -2.547 -5.222 1.00 0.00 C ATOM 427 O GLN A 31 -1.678 -3.285 -4.682 1.00 0.00 O ATOM 428 CB GLN A 31 -4.484 -3.336 -6.526 1.00 0.00 C ATOM 429 CG GLN A 31 -3.961 -4.709 -6.917 1.00 0.00 C ATOM 430 CD GLN A 31 -4.500 -5.180 -8.254 1.00 0.00 C ATOM 431 OE1 GLN A 31 -5.123 -4.413 -8.990 1.00 0.00 O ATOM 432 NE2 GLN A 31 -4.263 -6.446 -8.576 1.00 0.00 N ATOM 0 H GLN A 31 -5.568 -1.486 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.144 -3.656 -4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.574 -3.359 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.183 -2.612 -7.283 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.872 -4.681 -6.958 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.232 -5.430 -6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.743 -7.046 -7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.601 -6.818 -9.463 1.00 0.00 H new ATOM 441 N GLU A 32 -2.161 -1.446 -5.887 1.00 0.00 N ATOM 442 CA GLU A 32 -0.768 -1.036 -6.022 1.00 0.00 C ATOM 443 C GLU A 32 -0.065 -1.043 -4.668 1.00 0.00 C ATOM 444 O GLU A 32 0.919 -1.756 -4.470 1.00 0.00 O ATOM 445 CB GLU A 32 -0.682 0.359 -6.646 1.00 0.00 C ATOM 446 CG GLU A 32 -0.955 0.374 -8.140 1.00 0.00 C ATOM 447 CD GLU A 32 -0.136 -0.656 -8.894 1.00 0.00 C ATOM 448 OE1 GLU A 32 1.042 -0.372 -9.196 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.673 -1.746 -9.180 1.00 0.00 O ATOM 0 H GLU A 32 -2.831 -0.824 -6.339 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.268 -1.750 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.396 1.015 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.311 0.770 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.015 0.188 -8.314 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.737 1.366 -8.535 1.00 0.00 H new ATOM 456 N VAL A 33 -0.577 -0.244 -3.737 1.00 0.00 N ATOM 457 CA VAL A 33 0.001 -0.158 -2.401 1.00 0.00 C ATOM 458 C VAL A 33 0.193 -1.543 -1.795 1.00 0.00 C ATOM 459 O VAL A 33 1.277 -1.879 -1.318 1.00 0.00 O ATOM 460 CB VAL A 33 -0.883 0.683 -1.461 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.294 0.714 -0.059 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.051 2.093 -2.008 1.00 0.00 C ATOM 0 H VAL A 33 -1.391 0.353 -3.883 1.00 0.00 H new ATOM 0 HA VAL A 33 0.972 0.327 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.868 0.219 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.932 1.313 0.591 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.230 -0.302 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.703 1.153 -0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.678 2.673 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.074 2.568 -2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.521 2.049 -2.990 1.00 0.00 H new ATOM 472 N VAL A 34 -0.867 -2.346 -1.818 1.00 0.00 N ATOM 473 CA VAL A 34 -0.815 -3.697 -1.272 1.00 0.00 C ATOM 474 C VAL A 34 0.389 -4.461 -1.812 1.00 0.00 C ATOM 475 O VAL A 34 1.178 -5.016 -1.047 1.00 0.00 O ATOM 476 CB VAL A 34 -2.098 -4.484 -1.599 1.00 0.00 C ATOM 477 CG1 VAL A 34 -2.008 -5.901 -1.054 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.318 -3.766 -1.042 1.00 0.00 C ATOM 0 H VAL A 34 -1.772 -2.084 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.724 -3.599 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.202 -4.543 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.923 -6.442 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.156 -6.411 -1.504 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.880 -5.867 0.028 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.216 -4.335 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.224 -3.675 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.389 -2.773 -1.485 1.00 0.00 H new ATOM 488 N ILE A 35 0.522 -4.486 -3.134 1.00 0.00 N ATOM 489 CA ILE A 35 1.631 -5.182 -3.776 1.00 0.00 C ATOM 490 C ILE A 35 2.958 -4.831 -3.113 1.00 0.00 C ATOM 491 O ILE A 35 3.641 -5.699 -2.569 1.00 0.00 O ATOM 492 CB ILE A 35 1.714 -4.843 -5.276 1.00 0.00 C ATOM 493 CG1 ILE A 35 0.412 -5.228 -5.981 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.898 -5.555 -5.914 1.00 0.00 C ATOM 495 CD1 ILE A 35 0.219 -4.537 -7.313 1.00 0.00 C ATOM 0 H ILE A 35 -0.124 -4.033 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 35 1.442 -6.250 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 35 1.859 -3.768 -5.383 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.397 -6.307 -6.135 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.429 -4.987 -5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.944 -5.306 -6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.820 -5.237 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.780 -6.632 -5.799 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.724 -4.857 -7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.202 -3.457 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.040 -4.798 -7.981 1.00 0.00 H new ATOM 507 N ALA A 36 3.317 -3.552 -3.160 1.00 0.00 N ATOM 508 CA ALA A 36 4.561 -3.085 -2.560 1.00 0.00 C ATOM 509 C ALA A 36 4.798 -3.743 -1.205 1.00 0.00 C ATOM 510 O ALA A 36 5.871 -4.290 -0.948 1.00 0.00 O ATOM 511 CB ALA A 36 4.542 -1.570 -2.418 1.00 0.00 C ATOM 0 H ALA A 36 2.764 -2.821 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 36 5.382 -3.367 -3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.477 -1.235 -1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.428 -1.114 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.707 -1.275 -1.782 1.00 0.00 H new ATOM 517 N LEU A 37 3.791 -3.686 -0.341 1.00 0.00 N ATOM 518 CA LEU A 37 3.890 -4.277 0.989 1.00 0.00 C ATOM 519 C LEU A 37 4.116 -5.782 0.901 1.00 0.00 C ATOM 520 O LEU A 37 5.070 -6.311 1.472 1.00 0.00 O ATOM 521 CB LEU A 37 2.621 -3.986 1.793 1.00 0.00 C ATOM 522 CG LEU A 37 2.357 -2.517 2.123 1.00 0.00 C ATOM 523 CD1 LEU A 37 1.003 -2.356 2.796 1.00 0.00 C ATOM 524 CD2 LEU A 37 3.463 -1.961 3.008 1.00 0.00 C ATOM 0 H LEU A 37 2.897 -3.237 -0.537 1.00 0.00 H new ATOM 0 HA LEU A 37 4.745 -3.830 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.766 -4.372 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.671 -4.544 2.728 1.00 0.00 H new ATOM 0 HG LEU A 37 2.347 -1.952 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.833 -1.304 3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.220 -2.714 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.985 -2.934 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.258 -0.914 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.506 -2.530 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.418 -2.040 2.489 1.00 0.00 H new ATOM 536 N ALA A 38 3.234 -6.467 0.181 1.00 0.00 N ATOM 537 CA ALA A 38 3.340 -7.911 0.015 1.00 0.00 C ATOM 538 C ALA A 38 4.764 -8.319 -0.347 1.00 0.00 C ATOM 539 O ALA A 38 5.285 -9.309 0.165 1.00 0.00 O ATOM 540 CB ALA A 38 2.365 -8.393 -1.048 1.00 0.00 C ATOM 0 H ALA A 38 2.438 -6.045 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 38 3.086 -8.380 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.455 -9.473 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.347 -8.143 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.593 -7.908 -1.997 1.00 0.00 H new ATOM 546 N GLN A 39 5.388 -7.549 -1.233 1.00 0.00 N ATOM 547 CA GLN A 39 6.752 -7.833 -1.665 1.00 0.00 C ATOM 548 C GLN A 39 7.748 -7.533 -0.550 1.00 0.00 C ATOM 549 O GLN A 39 8.558 -8.384 -0.183 1.00 0.00 O ATOM 550 CB GLN A 39 7.097 -7.011 -2.908 1.00 0.00 C ATOM 551 CG GLN A 39 6.703 -7.686 -4.212 1.00 0.00 C ATOM 552 CD GLN A 39 6.835 -6.765 -5.409 1.00 0.00 C ATOM 553 OE1 GLN A 39 7.611 -7.030 -6.327 1.00 0.00 O ATOM 554 NE2 GLN A 39 6.076 -5.675 -5.405 1.00 0.00 N ATOM 0 H GLN A 39 4.971 -6.724 -1.665 1.00 0.00 H new ATOM 0 HA GLN A 39 6.816 -8.893 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.598 -6.044 -2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.169 -6.816 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.328 -8.566 -4.365 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.673 -8.036 -4.139 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.446 -5.495 -4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.123 -5.018 -6.184 1.00 0.00 H new ATOM 563 N ALA A 40 7.683 -6.318 -0.015 1.00 0.00 N ATOM 564 CA ALA A 40 8.579 -5.907 1.059 1.00 0.00 C ATOM 565 C ALA A 40 8.625 -6.954 2.166 1.00 0.00 C ATOM 566 O ALA A 40 9.694 -7.274 2.687 1.00 0.00 O ATOM 567 CB ALA A 40 8.146 -4.561 1.621 1.00 0.00 C ATOM 0 H ALA A 40 7.019 -5.601 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 40 9.582 -5.810 0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.824 -4.266 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.171 -3.811 0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.132 -4.640 2.014 1.00 0.00 H new ATOM 573 N ILE A 41 7.459 -7.484 2.522 1.00 0.00 N ATOM 574 CA ILE A 41 7.368 -8.496 3.567 1.00 0.00 C ATOM 575 C ILE A 41 7.876 -9.846 3.073 1.00 0.00 C ATOM 576 O ILE A 41 8.360 -10.663 3.854 1.00 0.00 O ATOM 577 CB ILE A 41 5.921 -8.658 4.069 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.020 -9.164 2.940 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.400 -7.338 4.618 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.672 -9.655 3.418 1.00 0.00 C ATOM 0 H ILE A 41 6.565 -7.229 2.102 1.00 0.00 H new ATOM 0 HA ILE A 41 7.995 -8.155 4.391 1.00 0.00 H new ATOM 0 HB ILE A 41 5.911 -9.393 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.870 -8.361 2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.528 -9.974 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.376 -7.469 4.969 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.029 -7.015 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.421 -6.583 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.087 -9.998 2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.812 -10.479 4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.144 -8.842 3.916 1.00 0.00 H new ATOM 592 N GLY A 42 7.765 -10.071 1.767 1.00 0.00 N ATOM 593 CA GLY A 42 8.220 -11.323 1.189 1.00 0.00 C ATOM 594 C GLY A 42 7.132 -12.028 0.404 1.00 0.00 C ATOM 595 O GLY A 42 6.923 -11.740 -0.775 1.00 0.00 O ATOM 0 H GLY A 42 7.369 -9.410 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.069 -11.130 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.574 -11.979 1.984 1.00 0.00 H new ATOM 599 N ARG A 43 6.438 -12.954 1.057 1.00 0.00 N ATOM 600 CA ARG A 43 5.367 -13.704 0.411 1.00 0.00 C ATOM 601 C ARG A 43 4.478 -12.780 -0.416 1.00 0.00 C ATOM 602 O ARG A 43 3.979 -11.770 0.083 1.00 0.00 O ATOM 603 CB ARG A 43 4.526 -14.437 1.457 1.00 0.00 C ATOM 604 CG ARG A 43 3.824 -13.508 2.435 1.00 0.00 C ATOM 605 CD ARG A 43 3.076 -14.287 3.504 1.00 0.00 C ATOM 606 NE ARG A 43 3.984 -14.920 4.457 1.00 0.00 N ATOM 607 CZ ARG A 43 4.624 -14.258 5.414 1.00 0.00 C ATOM 608 NH1 ARG A 43 4.455 -12.950 5.546 1.00 0.00 N ATOM 609 NH2 ARG A 43 5.434 -14.905 6.243 1.00 0.00 N ATOM 0 H ARG A 43 6.598 -13.203 2.033 1.00 0.00 H new ATOM 0 HA ARG A 43 5.822 -14.436 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.779 -15.046 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.168 -15.119 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.557 -12.853 2.906 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.126 -12.869 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.402 -13.616 4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.458 -15.050 3.031 1.00 0.00 H new ATOM 0 HE ARG A 43 4.135 -15.926 4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.832 -12.450 4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.948 -12.444 6.282 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.565 -15.912 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.925 -14.395 6.978 1.00 0.00 H new ATOM 623 N THR A 44 4.285 -13.131 -1.683 1.00 0.00 N ATOM 624 CA THR A 44 3.458 -12.333 -2.580 1.00 0.00 C ATOM 625 C THR A 44 2.047 -12.902 -2.679 1.00 0.00 C ATOM 626 O THR A 44 1.861 -14.071 -3.014 1.00 0.00 O ATOM 627 CB THR A 44 4.070 -12.259 -3.992 1.00 0.00 C ATOM 628 OG1 THR A 44 4.190 -13.575 -4.543 1.00 0.00 O ATOM 629 CG2 THR A 44 5.436 -11.592 -3.955 1.00 0.00 C ATOM 0 H THR A 44 4.690 -13.963 -2.112 1.00 0.00 H new ATOM 0 HA THR A 44 3.413 -11.329 -2.159 1.00 0.00 H new ATOM 0 HB THR A 44 3.409 -11.662 -4.620 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.453 -14.134 -4.219 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.848 -11.551 -4.963 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.336 -10.580 -3.562 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.104 -12.166 -3.313 1.00 0.00 H new ATOM 637 N GLY A 45 1.055 -12.067 -2.386 1.00 0.00 N ATOM 638 CA GLY A 45 -0.327 -12.505 -2.449 1.00 0.00 C ATOM 639 C GLY A 45 -1.301 -11.346 -2.505 1.00 0.00 C ATOM 640 O GLY A 45 -0.950 -10.252 -2.947 1.00 0.00 O ATOM 0 H GLY A 45 1.184 -11.095 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.466 -13.135 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.550 -13.121 -1.578 1.00 0.00 H new ATOM 644 N ARG A 46 -2.529 -11.585 -2.056 1.00 0.00 N ATOM 645 CA ARG A 46 -3.559 -10.552 -2.060 1.00 0.00 C ATOM 646 C ARG A 46 -4.017 -10.236 -0.639 1.00 0.00 C ATOM 647 O ARG A 46 -4.533 -11.105 0.065 1.00 0.00 O ATOM 648 CB ARG A 46 -4.753 -10.995 -2.906 1.00 0.00 C ATOM 649 CG ARG A 46 -4.626 -10.633 -4.377 1.00 0.00 C ATOM 650 CD ARG A 46 -3.538 -11.448 -5.059 1.00 0.00 C ATOM 651 NE ARG A 46 -3.774 -11.584 -6.494 1.00 0.00 N ATOM 652 CZ ARG A 46 -3.032 -12.343 -7.292 1.00 0.00 C ATOM 653 NH1 ARG A 46 -2.011 -13.030 -6.798 1.00 0.00 N ATOM 654 NH2 ARG A 46 -3.310 -12.415 -8.588 1.00 0.00 N ATOM 0 H ARG A 46 -2.835 -12.484 -1.685 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.131 -9.649 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.871 -12.075 -2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.659 -10.541 -2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.579 -10.804 -4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.401 -9.571 -4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.571 -10.972 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.488 -12.437 -4.605 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.551 -11.068 -6.906 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.794 -12.976 -5.803 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.443 -13.612 -7.413 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.094 -11.887 -8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.740 -12.998 -9.200 1.00 0.00 H new ATOM 668 N TYR A 47 -3.825 -8.989 -0.225 1.00 0.00 N ATOM 669 CA TYR A 47 -4.216 -8.559 1.113 1.00 0.00 C ATOM 670 C TYR A 47 -5.211 -7.404 1.045 1.00 0.00 C ATOM 671 O TYR A 47 -5.164 -6.581 0.131 1.00 0.00 O ATOM 672 CB TYR A 47 -2.985 -8.140 1.917 1.00 0.00 C ATOM 673 CG TYR A 47 -2.025 -9.276 2.191 1.00 0.00 C ATOM 674 CD1 TYR A 47 -1.267 -9.833 1.170 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.876 -9.790 3.474 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.390 -10.872 1.416 1.00 0.00 C ATOM 677 CE2 TYR A 47 -1.000 -10.827 3.730 1.00 0.00 C ATOM 678 CZ TYR A 47 -0.260 -11.365 2.697 1.00 0.00 C ATOM 679 OH TYR A 47 0.614 -12.398 2.947 1.00 0.00 O ATOM 0 H TYR A 47 -3.401 -8.258 -0.796 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.697 -9.400 1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.459 -7.353 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.309 -7.713 2.866 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.365 -9.447 0.166 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.455 -9.372 4.284 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.190 -11.295 0.610 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.895 -11.214 4.733 1.00 0.00 H new ATOM 0 HH TYR A 47 0.874 -12.818 2.101 1.00 0.00 H new ATOM 689 N THR A 48 -6.112 -7.350 2.021 1.00 0.00 N ATOM 690 CA THR A 48 -7.119 -6.298 2.073 1.00 0.00 C ATOM 691 C THR A 48 -6.701 -5.183 3.025 1.00 0.00 C ATOM 692 O THR A 48 -6.001 -5.424 4.010 1.00 0.00 O ATOM 693 CB THR A 48 -8.487 -6.851 2.518 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.038 -7.679 1.489 1.00 0.00 O ATOM 695 CG2 THR A 48 -9.451 -5.718 2.836 1.00 0.00 C ATOM 0 H THR A 48 -6.165 -8.023 2.786 1.00 0.00 H new ATOM 0 HA THR A 48 -7.208 -5.896 1.064 1.00 0.00 H new ATOM 0 HB THR A 48 -8.339 -7.444 3.420 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.906 -8.028 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.410 -6.133 3.148 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.041 -5.107 3.640 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.594 -5.102 1.948 1.00 0.00 H new ATOM 703 N LEU A 49 -7.133 -3.963 2.727 1.00 0.00 N ATOM 704 CA LEU A 49 -6.803 -2.810 3.557 1.00 0.00 C ATOM 705 C LEU A 49 -7.983 -2.422 4.443 1.00 0.00 C ATOM 706 O LEU A 49 -9.010 -1.950 3.953 1.00 0.00 O ATOM 707 CB LEU A 49 -6.397 -1.625 2.680 1.00 0.00 C ATOM 708 CG LEU A 49 -5.145 -1.821 1.825 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.210 -0.954 0.577 1.00 0.00 C ATOM 710 CD2 LEU A 49 -3.893 -1.505 2.631 1.00 0.00 C ATOM 0 H LEU A 49 -7.713 -3.746 1.916 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.965 -3.083 4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.230 -1.386 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.241 -0.759 3.323 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.100 -2.865 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.310 -1.107 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.086 -1.228 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.280 0.095 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.012 -1.650 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.931 -0.470 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.839 -2.168 3.494 1.00 0.00 H new ATOM 722 N ILE A 50 -7.828 -2.621 5.747 1.00 0.00 N ATOM 723 CA ILE A 50 -8.880 -2.288 6.700 1.00 0.00 C ATOM 724 C ILE A 50 -8.471 -1.111 7.580 1.00 0.00 C ATOM 725 O ILE A 50 -7.493 -1.189 8.322 1.00 0.00 O ATOM 726 CB ILE A 50 -9.227 -3.490 7.598 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.809 -4.630 6.759 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.205 -3.073 8.687 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.759 -5.974 7.450 1.00 0.00 C ATOM 0 H ILE A 50 -6.985 -3.011 6.168 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.760 -2.015 6.117 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.313 -3.845 8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.844 -4.396 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.263 -4.694 5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.441 -3.933 9.313 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.756 -2.291 9.299 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.120 -2.696 8.230 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -10.188 -6.735 6.798 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.723 -6.230 7.674 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.330 -5.928 8.377 1.00 0.00 H new ATOM 741 N GLU A 51 -9.230 -0.023 7.493 1.00 0.00 N ATOM 742 CA GLU A 51 -8.946 1.170 8.283 1.00 0.00 C ATOM 743 C GLU A 51 -9.799 1.200 9.548 1.00 0.00 C ATOM 744 O GLU A 51 -11.028 1.179 9.483 1.00 0.00 O ATOM 745 CB GLU A 51 -9.201 2.430 7.454 1.00 0.00 C ATOM 746 CG GLU A 51 -10.509 2.396 6.681 1.00 0.00 C ATOM 747 CD GLU A 51 -11.101 3.777 6.475 1.00 0.00 C ATOM 748 OE1 GLU A 51 -11.785 4.272 7.395 1.00 0.00 O ATOM 749 OE2 GLU A 51 -10.881 4.363 5.394 1.00 0.00 O ATOM 0 H GLU A 51 -10.045 0.057 6.885 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.896 1.141 8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.202 3.296 8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.378 2.566 6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.341 1.928 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.226 1.773 7.215 1.00 0.00 H new ATOM 756 N LYS A 52 -9.137 1.248 10.699 1.00 0.00 N ATOM 757 CA LYS A 52 -9.832 1.281 11.981 1.00 0.00 C ATOM 758 C LYS A 52 -10.090 2.718 12.423 1.00 0.00 C ATOM 759 O LYS A 52 -9.201 3.566 12.356 1.00 0.00 O ATOM 760 CB LYS A 52 -9.015 0.547 13.047 1.00 0.00 C ATOM 761 CG LYS A 52 -9.834 0.115 14.251 1.00 0.00 C ATOM 762 CD LYS A 52 -9.246 -1.120 14.911 1.00 0.00 C ATOM 763 CE LYS A 52 -9.575 -1.170 16.395 1.00 0.00 C ATOM 764 NZ LYS A 52 -8.581 -0.416 17.209 1.00 0.00 N ATOM 0 H LYS A 52 -8.120 1.265 10.771 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.792 0.779 11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.554 -0.332 12.598 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.205 1.195 13.383 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.877 0.929 14.974 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.859 -0.090 13.941 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.632 -2.014 14.421 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.164 -1.125 14.777 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.569 -0.756 16.561 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.603 -2.208 16.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.840 -0.474 18.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.636 -0.827 17.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.572 0.580 16.911 1.00 0.00 H new ATOM 778 N TRP A 53 -11.310 2.983 12.875 1.00 0.00 N ATOM 779 CA TRP A 53 -11.684 4.317 13.330 1.00 0.00 C ATOM 780 C TRP A 53 -12.815 4.248 14.350 1.00 0.00 C ATOM 781 O TRP A 53 -13.940 3.876 14.017 1.00 0.00 O ATOM 782 CB TRP A 53 -12.104 5.184 12.142 1.00 0.00 C ATOM 783 CG TRP A 53 -12.294 6.628 12.497 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.315 7.557 12.704 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.541 7.305 12.690 1.00 0.00 C ATOM 786 NE1 TRP A 53 -11.878 8.772 13.013 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.242 8.644 13.011 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.880 6.912 12.622 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -14.234 9.588 13.263 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.863 7.850 12.872 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.536 9.175 13.189 1.00 0.00 C ATOM 0 H TRP A 53 -12.057 2.292 12.936 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.815 4.767 13.810 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.349 5.106 11.360 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.034 4.794 11.728 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -10.254 7.365 12.635 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -11.364 9.630 13.212 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -15.142 5.893 12.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -13.984 10.610 13.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.901 7.557 12.822 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -16.328 9.885 13.379 1.00 0.00 H new ATOM 802 N ARG A 54 -12.509 4.609 15.592 1.00 0.00 N ATOM 803 CA ARG A 54 -13.501 4.587 16.660 1.00 0.00 C ATOM 804 C ARG A 54 -14.065 3.182 16.849 1.00 0.00 C ATOM 805 O ARG A 54 -15.267 3.007 17.053 1.00 0.00 O ATOM 806 CB ARG A 54 -14.635 5.566 16.352 1.00 0.00 C ATOM 807 CG ARG A 54 -14.285 7.016 16.648 1.00 0.00 C ATOM 808 CD ARG A 54 -14.550 7.367 18.103 1.00 0.00 C ATOM 809 NE ARG A 54 -13.473 6.917 18.981 1.00 0.00 N ATOM 810 CZ ARG A 54 -13.527 6.987 20.306 1.00 0.00 C ATOM 811 NH1 ARG A 54 -14.600 7.486 20.904 1.00 0.00 N ATOM 812 NH2 ARG A 54 -12.506 6.556 21.037 1.00 0.00 N ATOM 0 H ARG A 54 -11.582 4.920 15.883 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.010 4.890 17.584 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.907 5.474 15.301 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.513 5.287 16.934 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.235 7.193 16.415 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.869 7.672 16.002 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.669 8.446 18.199 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.489 6.913 18.420 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.633 6.528 18.553 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.387 7.817 20.346 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.638 7.538 21.922 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.679 6.171 20.581 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.549 6.610 22.055 1.00 0.00 H new ATOM 826 N ASP A 55 -13.191 2.184 16.779 1.00 0.00 N ATOM 827 CA ASP A 55 -13.601 0.794 16.942 1.00 0.00 C ATOM 828 C ASP A 55 -14.524 0.363 15.807 1.00 0.00 C ATOM 829 O ASP A 55 -15.527 -0.315 16.030 1.00 0.00 O ATOM 830 CB ASP A 55 -14.303 0.603 18.287 1.00 0.00 C ATOM 831 CG ASP A 55 -14.469 -0.860 18.650 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.486 -1.619 18.520 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.581 -1.245 19.066 1.00 0.00 O ATOM 0 H ASP A 55 -12.193 2.312 16.610 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.707 0.171 16.915 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -13.731 1.105 19.067 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.283 1.080 18.253 1.00 0.00 H new ATOM 838 N THR A 56 -14.179 0.762 14.586 1.00 0.00 N ATOM 839 CA THR A 56 -14.977 0.420 13.416 1.00 0.00 C ATOM 840 C THR A 56 -14.099 -0.105 12.286 1.00 0.00 C ATOM 841 O THR A 56 -12.934 0.273 12.167 1.00 0.00 O ATOM 842 CB THR A 56 -15.778 1.633 12.907 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.941 1.190 12.199 1.00 0.00 O ATOM 844 CG2 THR A 56 -14.924 2.502 11.997 1.00 0.00 C ATOM 0 H THR A 56 -13.352 1.323 14.383 1.00 0.00 H new ATOM 0 HA THR A 56 -15.672 -0.361 13.725 1.00 0.00 H new ATOM 0 HB THR A 56 -16.082 2.227 13.769 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.446 1.967 11.880 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.511 3.352 11.650 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.055 2.862 12.548 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.593 1.916 11.140 1.00 0.00 H new ATOM 852 N GLU A 57 -14.666 -0.978 11.458 1.00 0.00 N ATOM 853 CA GLU A 57 -13.933 -1.554 10.338 1.00 0.00 C ATOM 854 C GLU A 57 -14.597 -1.197 9.011 1.00 0.00 C ATOM 855 O GLU A 57 -15.812 -1.327 8.859 1.00 0.00 O ATOM 856 CB GLU A 57 -13.846 -3.075 10.484 1.00 0.00 C ATOM 857 CG GLU A 57 -12.934 -3.527 11.612 1.00 0.00 C ATOM 858 CD GLU A 57 -13.130 -4.987 11.971 1.00 0.00 C ATOM 859 OE1 GLU A 57 -14.212 -5.532 11.672 1.00 0.00 O ATOM 860 OE2 GLU A 57 -12.199 -5.584 12.552 1.00 0.00 O ATOM 0 H GLU A 57 -15.630 -1.301 11.542 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.926 -1.137 10.344 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.846 -3.473 10.655 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.489 -3.502 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.896 -3.364 11.322 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.119 -2.912 12.493 1.00 0.00 H new ATOM 867 N ARG A 58 -13.792 -0.745 8.055 1.00 0.00 N ATOM 868 CA ARG A 58 -14.301 -0.367 6.743 1.00 0.00 C ATOM 869 C ARG A 58 -13.501 -1.044 5.633 1.00 0.00 C ATOM 870 O ARG A 58 -12.367 -0.658 5.347 1.00 0.00 O ATOM 871 CB ARG A 58 -14.248 1.152 6.570 1.00 0.00 C ATOM 872 CG ARG A 58 -14.890 1.641 5.281 1.00 0.00 C ATOM 873 CD ARG A 58 -15.324 3.094 5.392 1.00 0.00 C ATOM 874 NE ARG A 58 -16.315 3.290 6.447 1.00 0.00 N ATOM 875 CZ ARG A 58 -16.960 4.434 6.646 1.00 0.00 C ATOM 876 NH1 ARG A 58 -16.721 5.479 5.865 1.00 0.00 N ATOM 877 NH2 ARG A 58 -17.848 4.535 7.627 1.00 0.00 N ATOM 0 H ARG A 58 -12.784 -0.632 8.165 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.337 -0.698 6.674 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.748 1.623 7.416 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.207 1.476 6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.184 1.533 4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.753 1.019 5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.453 3.718 5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -15.739 3.422 4.439 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.523 2.505 7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.040 5.406 5.109 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.218 6.356 6.020 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -18.036 3.734 8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.343 5.414 7.779 1.00 0.00 H new ATOM 891 N HIS A 59 -14.099 -2.056 5.013 1.00 0.00 N ATOM 892 CA HIS A 59 -13.442 -2.787 3.935 1.00 0.00 C ATOM 893 C HIS A 59 -13.291 -1.909 2.696 1.00 0.00 C ATOM 894 O HIS A 59 -14.221 -1.200 2.308 1.00 0.00 O ATOM 895 CB HIS A 59 -14.235 -4.047 3.587 1.00 0.00 C ATOM 896 CG HIS A 59 -13.872 -5.233 4.426 1.00 0.00 C ATOM 897 ND1 HIS A 59 -13.012 -6.223 3.998 1.00 0.00 N ATOM 898 CD2 HIS A 59 -14.257 -5.585 5.675 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.885 -7.133 4.947 1.00 0.00 C ATOM 900 NE2 HIS A 59 -13.630 -6.770 5.976 1.00 0.00 N ATOM 0 H HIS A 59 -15.037 -2.389 5.238 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.448 -3.075 4.278 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -15.299 -3.841 3.705 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -14.072 -4.291 2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.932 -5.036 6.316 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.276 -8.023 4.891 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.724 -7.285 6.851 1.00 0.00 H new ATOM 909 N LEU A 60 -12.115 -1.960 2.081 1.00 0.00 N ATOM 910 CA LEU A 60 -11.842 -1.168 0.886 1.00 0.00 C ATOM 911 C LEU A 60 -11.722 -2.062 -0.344 1.00 0.00 C ATOM 912 O LEU A 60 -11.609 -3.282 -0.228 1.00 0.00 O ATOM 913 CB LEU A 60 -10.556 -0.359 1.069 1.00 0.00 C ATOM 914 CG LEU A 60 -10.604 0.747 2.123 1.00 0.00 C ATOM 915 CD1 LEU A 60 -9.200 1.102 2.589 1.00 0.00 C ATOM 916 CD2 LEU A 60 -11.312 1.977 1.573 1.00 0.00 C ATOM 0 H LEU A 60 -11.335 -2.541 2.389 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.677 -0.484 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.752 -1.047 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.294 0.090 0.111 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.168 0.381 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.254 1.891 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.727 0.221 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.612 1.449 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.337 2.754 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.776 2.345 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.331 1.714 1.290 1.00 0.00 H new ATOM 928 N ALA A 61 -11.747 -1.446 -1.522 1.00 0.00 N ATOM 929 CA ALA A 61 -11.637 -2.186 -2.773 1.00 0.00 C ATOM 930 C ALA A 61 -10.286 -1.945 -3.437 1.00 0.00 C ATOM 931 O ALA A 61 -9.632 -0.925 -3.216 1.00 0.00 O ATOM 932 CB ALA A 61 -12.767 -1.799 -3.715 1.00 0.00 C ATOM 0 H ALA A 61 -11.842 -0.437 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.715 -3.249 -2.546 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.673 -2.359 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.725 -2.029 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.714 -0.731 -3.927 1.00 0.00 H new ATOM 938 N PRO A 62 -9.855 -2.903 -4.270 1.00 0.00 N ATOM 939 CA PRO A 62 -8.577 -2.817 -4.983 1.00 0.00 C ATOM 940 C PRO A 62 -8.589 -1.744 -6.066 1.00 0.00 C ATOM 941 O PRO A 62 -7.576 -1.091 -6.318 1.00 0.00 O ATOM 942 CB PRO A 62 -8.425 -4.207 -5.607 1.00 0.00 C ATOM 943 CG PRO A 62 -9.818 -4.715 -5.743 1.00 0.00 C ATOM 944 CD PRO A 62 -10.583 -4.145 -4.580 1.00 0.00 C ATOM 0 HA PRO A 62 -7.757 -2.541 -4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.927 -4.154 -6.575 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.825 -4.861 -4.975 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.257 -4.401 -6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.839 -5.805 -5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -11.623 -3.947 -4.841 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.592 -4.828 -3.731 1.00 0.00 H new ATOM 952 N HIS A 63 -9.741 -1.568 -6.705 1.00 0.00 N ATOM 953 CA HIS A 63 -9.885 -0.573 -7.762 1.00 0.00 C ATOM 954 C HIS A 63 -9.821 0.840 -7.190 1.00 0.00 C ATOM 955 O HIS A 63 -9.230 1.737 -7.791 1.00 0.00 O ATOM 956 CB HIS A 63 -11.205 -0.775 -8.506 1.00 0.00 C ATOM 957 CG HIS A 63 -12.360 -1.084 -7.604 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.161 -0.110 -7.046 1.00 0.00 N ATOM 959 CD2 HIS A 63 -12.848 -2.267 -7.164 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.091 -0.680 -6.301 1.00 0.00 C ATOM 961 NE2 HIS A 63 -13.923 -1.989 -6.356 1.00 0.00 N ATOM 0 H HIS A 63 -10.588 -2.101 -6.510 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.059 -0.701 -8.462 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.432 0.125 -9.078 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.088 -1.587 -9.223 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -12.464 -3.247 -7.404 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -14.858 -0.164 -5.742 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -14.498 -2.681 -5.876 1.00 0.00 H new ATOM 970 N GLU A 64 -10.433 1.031 -6.025 1.00 0.00 N ATOM 971 CA GLU A 64 -10.447 2.335 -5.374 1.00 0.00 C ATOM 972 C GLU A 64 -9.026 2.814 -5.087 1.00 0.00 C ATOM 973 O GLU A 64 -8.056 2.107 -5.353 1.00 0.00 O ATOM 974 CB GLU A 64 -11.248 2.272 -4.072 1.00 0.00 C ATOM 975 CG GLU A 64 -12.753 2.268 -4.284 1.00 0.00 C ATOM 976 CD GLU A 64 -13.279 3.610 -4.754 1.00 0.00 C ATOM 977 OE1 GLU A 64 -12.864 4.642 -4.186 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.106 3.629 -5.690 1.00 0.00 O ATOM 0 H GLU A 64 -10.925 0.299 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.923 3.045 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.964 1.374 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.979 3.125 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.011 1.504 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.247 1.995 -3.352 1.00 0.00 H new ATOM 985 N ASN A 65 -8.914 4.022 -4.542 1.00 0.00 N ATOM 986 CA ASN A 65 -7.614 4.597 -4.220 1.00 0.00 C ATOM 987 C ASN A 65 -7.475 4.819 -2.717 1.00 0.00 C ATOM 988 O ASN A 65 -8.430 5.175 -2.026 1.00 0.00 O ATOM 989 CB ASN A 65 -7.419 5.920 -4.963 1.00 0.00 C ATOM 990 CG ASN A 65 -7.393 5.739 -6.468 1.00 0.00 C ATOM 991 OD1 ASN A 65 -7.110 4.651 -6.969 1.00 0.00 O ATOM 992 ND2 ASN A 65 -7.688 6.809 -7.198 1.00 0.00 N ATOM 0 H ASN A 65 -9.708 4.621 -4.315 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.845 3.893 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.223 6.606 -4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.486 6.381 -4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.686 6.748 -8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.917 7.691 -6.740 1.00 0.00 H new ATOM 999 N PRO A 66 -6.257 4.606 -2.197 1.00 0.00 N ATOM 1000 CA PRO A 66 -5.963 4.778 -0.771 1.00 0.00 C ATOM 1001 C PRO A 66 -5.996 6.242 -0.346 1.00 0.00 C ATOM 1002 O PRO A 66 -6.658 6.600 0.629 1.00 0.00 O ATOM 1003 CB PRO A 66 -4.549 4.211 -0.629 1.00 0.00 C ATOM 1004 CG PRO A 66 -3.944 4.357 -1.983 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.072 4.180 -2.961 1.00 0.00 C ATOM 0 HA PRO A 66 -6.700 4.282 -0.140 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.977 4.757 0.121 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.571 3.167 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.477 5.335 -2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.166 3.611 -2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.929 4.789 -3.854 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.158 3.145 -3.292 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.277 7.083 -1.081 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.226 8.509 -0.780 1.00 0.00 C ATOM 1015 C ILE A 67 -6.617 9.132 -0.833 1.00 0.00 C ATOM 1016 O ILE A 67 -7.023 9.846 0.084 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.302 9.258 -1.758 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -2.855 8.793 -1.584 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.411 10.760 -1.544 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -1.896 9.417 -2.574 1.00 0.00 C ATOM 0 H ILE A 67 -4.722 6.802 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.826 8.605 0.230 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.616 9.032 -2.777 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.525 9.030 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.816 7.709 -1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.752 11.276 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.440 11.078 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.119 11.004 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.889 9.042 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.201 9.159 -3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.906 10.501 -2.457 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.342 8.856 -1.912 1.00 0.00 N ATOM 1033 CA ILE A 68 -8.688 9.388 -2.083 1.00 0.00 C ATOM 1034 C ILE A 68 -9.593 8.976 -0.927 1.00 0.00 C ATOM 1035 O ILE A 68 -10.132 9.823 -0.215 1.00 0.00 O ATOM 1036 CB ILE A 68 -9.317 8.913 -3.406 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -8.423 9.296 -4.587 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -10.708 9.506 -3.574 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.364 10.786 -4.842 1.00 0.00 C ATOM 0 H ILE A 68 -7.020 8.267 -2.680 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.598 10.474 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.407 7.827 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.414 8.927 -4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.787 8.796 -5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.140 9.161 -4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.341 9.189 -2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.641 10.594 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.712 10.984 -5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.366 11.158 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.972 11.291 -3.959 1.00 0.00 H new ATOM 1051 N SER A 69 -9.753 7.669 -0.744 1.00 0.00 N ATOM 1052 CA SER A 69 -10.594 7.144 0.325 1.00 0.00 C ATOM 1053 C SER A 69 -10.351 7.899 1.628 1.00 0.00 C ATOM 1054 O SER A 69 -11.280 8.437 2.231 1.00 0.00 O ATOM 1055 CB SER A 69 -10.325 5.652 0.528 1.00 0.00 C ATOM 1056 OG SER A 69 -11.133 4.866 -0.330 1.00 0.00 O ATOM 0 H SER A 69 -9.311 6.954 -1.322 1.00 0.00 H new ATOM 0 HA SER A 69 -11.636 7.282 0.035 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.273 5.440 0.337 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.521 5.382 1.566 1.00 0.00 H new ATOM 0 HG SER A 69 -10.607 4.117 -0.679 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.094 7.933 2.058 1.00 0.00 N ATOM 1063 CA LEU A 70 -8.726 8.622 3.290 1.00 0.00 C ATOM 1064 C LEU A 70 -9.057 10.108 3.203 1.00 0.00 C ATOM 1065 O LEU A 70 -9.673 10.671 4.107 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.235 8.435 3.576 1.00 0.00 C ATOM 1067 CG LEU A 70 -6.766 8.828 4.977 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -7.433 7.953 6.028 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -5.251 8.726 5.080 1.00 0.00 C ATOM 0 H LEU A 70 -8.313 7.492 1.572 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.303 8.188 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.982 7.388 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.670 9.018 2.849 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.054 9.863 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.087 8.247 7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.515 8.075 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.176 6.909 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.935 9.009 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.941 7.701 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.791 9.395 4.352 1.00 0.00 H new ATOM 1081 N ASN A 71 -8.645 10.738 2.107 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.899 12.159 1.901 1.00 0.00 C ATOM 1083 C ASN A 71 -10.294 12.538 2.387 1.00 0.00 C ATOM 1084 O ASN A 71 -10.480 13.569 3.035 1.00 0.00 O ATOM 1085 CB ASN A 71 -8.748 12.516 0.421 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.321 13.957 0.214 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -9.057 14.887 0.545 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.128 14.147 -0.336 1.00 0.00 N ATOM 0 H ASN A 71 -8.134 10.287 1.348 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.166 12.721 2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.014 11.853 -0.037 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.695 12.344 -0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.787 15.094 -0.500 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.552 13.346 -0.594 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.274 11.698 2.071 1.00 0.00 N ATOM 1096 CA LYS A 72 -12.653 11.943 2.476 1.00 0.00 C ATOM 1097 C LYS A 72 -12.709 12.573 3.864 1.00 0.00 C ATOM 1098 O LYS A 72 -13.242 13.669 4.037 1.00 0.00 O ATOM 1099 CB LYS A 72 -13.448 10.635 2.466 1.00 0.00 C ATOM 1100 CG LYS A 72 -13.498 9.964 1.105 1.00 0.00 C ATOM 1101 CD LYS A 72 -14.585 10.561 0.228 1.00 0.00 C ATOM 1102 CE LYS A 72 -14.634 9.888 -1.136 1.00 0.00 C ATOM 1103 NZ LYS A 72 -15.749 10.412 -1.973 1.00 0.00 N ATOM 0 H LYS A 72 -11.138 10.841 1.535 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.097 12.638 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.006 9.946 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.466 10.836 2.800 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.532 10.069 0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.677 8.896 1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.551 10.456 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.406 11.629 0.102 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.687 10.045 -1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.752 8.812 -1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.749 9.929 -2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.655 10.240 -1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.623 11.434 -2.118 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.154 11.875 4.848 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.140 12.368 6.221 1.00 0.00 C ATOM 1119 C TRP A 73 -11.753 13.842 6.266 1.00 0.00 C ATOM 1120 O TRP A 73 -12.509 14.678 6.760 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.168 11.547 7.070 1.00 0.00 C ATOM 1122 CG TRP A 73 -11.423 10.071 7.003 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -10.621 9.126 6.430 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -12.557 9.373 7.528 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -11.189 7.882 6.566 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -12.376 8.007 7.237 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -13.707 9.768 8.216 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -13.304 7.037 7.610 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -14.627 8.805 8.586 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -14.420 7.453 8.283 1.00 0.00 C ATOM 0 H TRP A 73 -11.708 10.966 4.721 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.145 12.263 6.629 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.149 11.748 6.740 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.237 11.874 8.108 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.679 9.327 5.942 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.791 7.008 6.223 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.874 10.808 8.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.148 5.994 7.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.520 9.100 9.117 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -15.157 6.724 8.587 1.00 0.00 H new ATOM 1141 N GLY A 74 -10.570 14.155 5.746 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.103 15.529 5.737 1.00 0.00 C ATOM 1143 C GLY A 74 -9.594 15.978 7.092 1.00 0.00 C ATOM 1144 O GLY A 74 -8.401 16.223 7.264 1.00 0.00 O ATOM 0 H GLY A 74 -9.927 13.481 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.306 15.634 5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.916 16.184 5.423 1.00 0.00 H new ATOM 1148 N GLN A 75 -10.502 16.087 8.057 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.138 16.512 9.403 1.00 0.00 C ATOM 1150 C GLN A 75 -9.623 15.334 10.225 1.00 0.00 C ATOM 1151 O GLN A 75 -8.564 15.416 10.848 1.00 0.00 O ATOM 1152 CB GLN A 75 -11.340 17.149 10.102 1.00 0.00 C ATOM 1153 CG GLN A 75 -12.179 18.028 9.189 1.00 0.00 C ATOM 1154 CD GLN A 75 -11.710 19.469 9.173 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -10.562 19.757 8.833 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -12.597 20.386 9.542 1.00 0.00 N ATOM 0 H GLN A 75 -11.494 15.887 7.931 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.341 17.251 9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.970 16.361 10.513 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.987 17.746 10.943 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.146 17.628 8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.219 17.992 9.512 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.538 20.104 9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.337 21.372 9.551 1.00 0.00 H new ATOM 1165 N TYR A 76 -10.378 14.242 10.221 1.00 0.00 N ATOM 1166 CA TYR A 76 -9.998 13.048 10.968 1.00 0.00 C ATOM 1167 C TYR A 76 -9.388 11.998 10.045 1.00 0.00 C ATOM 1168 O TYR A 76 -9.618 10.801 10.210 1.00 0.00 O ATOM 1169 CB TYR A 76 -11.215 12.464 11.689 1.00 0.00 C ATOM 1170 CG TYR A 76 -11.629 13.250 12.912 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -12.452 14.363 12.802 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -11.197 12.878 14.180 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -12.832 15.084 13.917 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -11.573 13.592 15.301 1.00 0.00 C ATOM 1175 CZ TYR A 76 -12.390 14.695 15.164 1.00 0.00 C ATOM 1176 OH TYR A 76 -12.767 15.410 16.278 1.00 0.00 O ATOM 0 H TYR A 76 -11.256 14.158 9.709 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.249 13.335 11.706 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.053 12.422 10.994 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.994 11.438 11.984 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.801 14.670 11.827 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.556 12.016 14.290 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.472 15.948 13.813 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.229 13.289 16.279 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.371 15.004 17.077 1.00 0.00 H new ATOM 1186 N ALA A 77 -8.607 12.458 9.072 1.00 0.00 N ATOM 1187 CA ALA A 77 -7.960 11.560 8.124 1.00 0.00 C ATOM 1188 C ALA A 77 -6.779 10.840 8.766 1.00 0.00 C ATOM 1189 O ALA A 77 -6.727 9.611 8.789 1.00 0.00 O ATOM 1190 CB ALA A 77 -7.505 12.331 6.893 1.00 0.00 C ATOM 0 H ALA A 77 -8.408 13.447 8.920 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.688 10.808 7.820 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.023 11.648 6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.368 12.793 6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.797 13.105 7.190 1.00 0.00 H new ATOM 1196 N SER A 78 -5.833 11.615 9.287 1.00 0.00 N ATOM 1197 CA SER A 78 -4.650 11.051 9.927 1.00 0.00 C ATOM 1198 C SER A 78 -5.041 10.020 10.981 1.00 0.00 C ATOM 1199 O SER A 78 -4.473 8.929 11.039 1.00 0.00 O ATOM 1200 CB SER A 78 -3.813 12.160 10.568 1.00 0.00 C ATOM 1201 OG SER A 78 -4.518 12.782 11.628 1.00 0.00 O ATOM 0 H SER A 78 -5.863 12.635 9.279 1.00 0.00 H new ATOM 0 HA SER A 78 -4.056 10.554 9.161 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.878 11.744 10.944 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.551 12.904 9.815 1.00 0.00 H new ATOM 0 HG SER A 78 -3.962 13.486 12.022 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.015 10.373 11.812 1.00 0.00 N ATOM 1208 CA ASP A 79 -6.485 9.479 12.864 1.00 0.00 C ATOM 1209 C ASP A 79 -6.753 8.083 12.311 1.00 0.00 C ATOM 1210 O ASP A 79 -6.427 7.079 12.946 1.00 0.00 O ATOM 1211 CB ASP A 79 -7.754 10.038 13.509 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.525 11.385 14.166 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.543 11.514 14.927 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.328 12.309 13.920 1.00 0.00 O ATOM 0 H ASP A 79 -6.495 11.272 11.778 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.704 9.407 13.621 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.531 10.134 12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.121 9.332 14.254 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.349 8.026 11.124 1.00 0.00 N ATOM 1220 CA VAL A 80 -7.661 6.753 10.486 1.00 0.00 C ATOM 1221 C VAL A 80 -6.390 5.997 10.117 1.00 0.00 C ATOM 1222 O VAL A 80 -5.543 6.508 9.385 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.511 6.955 9.217 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.815 5.617 8.559 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.796 7.698 9.550 1.00 0.00 C ATOM 0 H VAL A 80 -7.625 8.847 10.585 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.231 6.169 11.208 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.941 7.559 8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.416 5.780 7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.881 5.126 8.284 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.366 4.985 9.256 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.384 7.832 8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.372 7.122 10.274 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.553 8.673 9.973 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.264 4.777 10.629 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.095 3.950 10.353 1.00 0.00 C ATOM 1237 C GLN A 81 -5.485 2.696 9.578 1.00 0.00 C ATOM 1238 O GLN A 81 -6.418 1.986 9.956 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.399 3.562 11.659 1.00 0.00 C ATOM 1240 CG GLN A 81 -5.296 2.804 12.624 1.00 0.00 C ATOM 1241 CD GLN A 81 -4.570 2.381 13.886 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -4.317 1.195 14.102 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -4.230 3.350 14.727 1.00 0.00 N ATOM 0 H GLN A 81 -6.957 4.339 11.237 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.406 4.532 9.741 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.527 2.949 11.428 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.034 4.465 12.148 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.147 3.431 12.892 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.695 1.921 12.126 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.460 4.319 14.508 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.739 3.125 15.592 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.766 2.429 8.494 1.00 0.00 N ATOM 1253 CA LEU A 82 -5.038 1.259 7.665 1.00 0.00 C ATOM 1254 C LEU A 82 -4.342 0.022 8.224 1.00 0.00 C ATOM 1255 O LEU A 82 -3.324 0.127 8.909 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.579 1.511 6.227 1.00 0.00 C ATOM 1257 CG LEU A 82 -5.617 2.127 5.289 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -5.941 3.551 5.713 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -5.121 2.096 3.851 1.00 0.00 C ATOM 0 H LEU A 82 -3.991 3.006 8.168 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.113 1.082 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.709 2.167 6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.250 0.563 5.800 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.530 1.535 5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.682 3.973 5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.340 3.547 6.727 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.034 4.155 5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.873 2.538 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.194 2.663 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.941 1.064 3.550 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.897 -1.148 7.925 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.328 -2.404 8.395 1.00 0.00 C ATOM 1273 C ILE A 83 -4.337 -3.458 7.293 1.00 0.00 C ATOM 1274 O ILE A 83 -5.369 -3.712 6.670 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.093 -2.948 9.616 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.074 -1.925 10.754 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.492 -4.268 10.074 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.232 -2.069 11.716 1.00 0.00 C ATOM 0 H ILE A 83 -5.740 -1.252 7.360 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.299 -2.194 8.686 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.129 -3.124 9.327 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.139 -2.025 11.306 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.088 -0.921 10.329 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.044 -4.639 10.938 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.553 -4.996 9.265 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.448 -4.117 10.348 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.153 -1.312 12.496 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.171 -1.939 11.177 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.208 -3.060 12.169 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.182 -4.071 7.058 1.00 0.00 N ATOM 1291 CA LEU A 84 -3.057 -5.100 6.032 1.00 0.00 C ATOM 1292 C LEU A 84 -3.526 -6.453 6.557 1.00 0.00 C ATOM 1293 O LEU A 84 -2.837 -7.095 7.351 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.607 -5.200 5.556 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.391 -5.859 4.193 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.870 -4.944 3.076 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.075 -6.218 4.000 1.00 0.00 C ATOM 0 H LEU A 84 -2.319 -3.873 7.564 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.691 -4.818 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.187 -4.195 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.039 -5.758 6.301 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.976 -6.778 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.708 -5.429 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.933 -4.738 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.313 -4.008 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.210 -6.686 3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.681 -5.314 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.386 -6.912 4.781 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.701 -6.882 6.109 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.261 -8.159 6.533 1.00 0.00 C ATOM 1311 C ARG A 85 -5.218 -9.176 5.397 1.00 0.00 C ATOM 1312 O ARG A 85 -5.633 -8.887 4.275 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.702 -7.974 7.011 1.00 0.00 C ATOM 1314 CG ARG A 85 -7.289 -9.212 7.670 1.00 0.00 C ATOM 1315 CD ARG A 85 -6.887 -9.309 9.133 1.00 0.00 C ATOM 1316 NE ARG A 85 -7.224 -10.608 9.709 1.00 0.00 N ATOM 1317 CZ ARG A 85 -7.190 -10.866 11.012 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -6.836 -9.918 11.869 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -7.510 -12.073 11.459 1.00 0.00 N ATOM 0 H ARG A 85 -5.284 -6.363 5.452 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.657 -8.536 7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.738 -7.145 7.718 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.325 -7.695 6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.376 -9.186 7.591 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.952 -10.102 7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.814 -9.139 9.226 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.385 -8.522 9.699 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.501 -11.359 9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.589 -8.989 11.528 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.811 -10.118 12.869 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.783 -12.804 10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.484 -12.270 12.459 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.711 -10.368 5.695 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.612 -11.428 4.699 1.00 0.00 C ATOM 1335 C ARG A 86 -5.905 -12.234 4.632 1.00 0.00 C ATOM 1336 O ARG A 86 -6.215 -13.009 5.537 1.00 0.00 O ATOM 1337 CB ARG A 86 -3.437 -12.353 5.023 1.00 0.00 C ATOM 1338 CG ARG A 86 -2.836 -13.025 3.799 1.00 0.00 C ATOM 1339 CD ARG A 86 -3.535 -14.339 3.485 1.00 0.00 C ATOM 1340 NE ARG A 86 -3.161 -15.395 4.422 1.00 0.00 N ATOM 1341 CZ ARG A 86 -3.347 -16.689 4.183 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -3.898 -17.084 3.044 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -2.980 -17.590 5.085 1.00 0.00 N ATOM 0 H ARG A 86 -4.362 -10.624 6.619 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.443 -10.964 3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.662 -11.778 5.529 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.771 -13.120 5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.913 -12.357 2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.775 -13.207 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.615 -14.192 3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.285 -14.649 2.470 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.734 -15.125 5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.181 -16.394 2.348 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.039 -18.078 2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.555 -17.290 5.962 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.123 -18.583 4.901 1.00 0.00 H new