USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 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 Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -85:sc= 0.994 USER MOD Single : A 9 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.89) USER MOD Single : A 10 GLN : amide:sc= -6.15! C(o=-6.2!,f=-17!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 60:sc= -0.513 USER MOD Single : A 25 HIS : no HE2:sc= -7.69! C(o=-7.7!,f=-3!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.746! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -4.09! C(o=-4.1!,f=-6.6!) USER MOD Single : A 33 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2.7!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.21) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.046 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 8.082 -14.615 19.156 1.00 0.00 N ATOM 2 CA GLU A 1 9.387 -14.489 18.530 1.00 0.00 C ATOM 3 C GLU A 1 9.509 -13.137 17.824 1.00 0.00 C ATOM 4 O GLU A 1 10.399 -12.348 18.137 1.00 0.00 O ATOM 5 CB GLU A 1 9.640 -15.641 17.555 1.00 0.00 C ATOM 6 CG GLU A 1 10.340 -16.808 18.255 1.00 0.00 C ATOM 7 CD GLU A 1 9.353 -17.936 18.561 1.00 0.00 C ATOM 8 OE1 GLU A 1 9.116 -18.748 17.642 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.858 -17.960 19.709 1.00 0.00 O ATOM 0 H1 GLU A 1 8.013 -15.537 19.632 1.00 0.00 H new ATOM 0 H2 GLU A 1 7.957 -13.855 19.855 1.00 0.00 H new ATOM 0 H3 GLU A 1 7.340 -14.543 18.430 1.00 0.00 H new ATOM 0 HA GLU A 1 10.148 -14.540 19.308 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.694 -15.980 17.133 1.00 0.00 H new ATOM 0 HB3 GLU A 1 10.252 -15.291 16.724 1.00 0.00 H new ATOM 0 HG2 GLU A 1 11.145 -17.185 17.624 1.00 0.00 H new ATOM 0 HG3 GLU A 1 10.798 -16.460 19.181 1.00 0.00 H new ATOM 16 N GLU A 2 8.602 -12.912 16.885 1.00 0.00 N ATOM 17 CA GLU A 2 8.597 -11.669 16.132 1.00 0.00 C ATOM 18 C GLU A 2 7.459 -11.671 15.111 1.00 0.00 C ATOM 19 O GLU A 2 7.360 -12.580 14.287 1.00 0.00 O ATOM 20 CB GLU A 2 9.946 -11.436 15.449 1.00 0.00 C ATOM 21 CG GLU A 2 10.418 -9.994 15.644 1.00 0.00 C ATOM 22 CD GLU A 2 11.801 -9.953 16.299 1.00 0.00 C ATOM 23 OE1 GLU A 2 12.740 -10.491 15.674 1.00 0.00 O ATOM 24 OE2 GLU A 2 11.886 -9.384 17.408 1.00 0.00 O ATOM 0 H GLU A 2 7.865 -13.569 16.628 1.00 0.00 H new ATOM 0 HA GLU A 2 8.432 -10.847 16.828 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.687 -12.123 15.857 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.861 -11.654 14.384 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.453 -9.486 14.680 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.702 -9.454 16.264 1.00 0.00 H new ATOM 31 N TYR A 3 6.626 -10.644 15.197 1.00 0.00 N ATOM 32 CA TYR A 3 5.498 -10.516 14.290 1.00 0.00 C ATOM 33 C TYR A 3 5.098 -9.050 14.117 1.00 0.00 C ATOM 34 O TYR A 3 4.915 -8.332 15.099 1.00 0.00 O ATOM 35 CB TYR A 3 4.342 -11.274 14.946 1.00 0.00 C ATOM 36 CG TYR A 3 3.189 -11.596 13.993 1.00 0.00 C ATOM 37 CD1 TYR A 3 3.203 -12.767 13.264 1.00 0.00 C ATOM 38 CD2 TYR A 3 2.135 -10.714 13.863 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.118 -13.070 12.367 1.00 0.00 C ATOM 40 CE2 TYR A 3 1.050 -11.017 12.967 1.00 0.00 C ATOM 41 CZ TYR A 3 1.095 -12.180 12.263 1.00 0.00 C ATOM 42 OH TYR A 3 0.070 -12.466 11.416 1.00 0.00 O ATOM 0 H TYR A 3 6.710 -9.892 15.881 1.00 0.00 H new ATOM 0 HA TYR A 3 5.750 -10.909 13.305 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.723 -12.205 15.366 1.00 0.00 H new ATOM 0 HB3 TYR A 3 3.958 -10.682 15.777 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.028 -13.457 13.366 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.125 -9.797 14.433 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.117 -13.983 11.790 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.219 -10.336 12.856 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.590 -11.742 11.445 1.00 0.00 H new ATOM 52 N VAL A 4 4.973 -8.648 12.860 1.00 0.00 N ATOM 53 CA VAL A 4 4.597 -7.280 12.545 1.00 0.00 C ATOM 54 C VAL A 4 4.225 -7.186 11.064 1.00 0.00 C ATOM 55 O VAL A 4 4.771 -7.914 10.236 1.00 0.00 O ATOM 56 CB VAL A 4 5.724 -6.324 12.941 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.705 -6.125 11.784 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.163 -4.984 13.421 1.00 0.00 C ATOM 0 H VAL A 4 5.126 -9.246 12.048 1.00 0.00 H new ATOM 0 HA VAL A 4 3.720 -6.983 13.119 1.00 0.00 H new ATOM 0 HB VAL A 4 6.270 -6.774 13.770 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.496 -5.441 12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.142 -7.085 11.508 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.177 -5.707 10.927 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.985 -4.323 13.696 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.581 -4.526 12.621 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.523 -5.147 14.288 1.00 0.00 H new ATOM 68 N GLY A 5 3.298 -6.285 10.776 1.00 0.00 N ATOM 69 CA GLY A 5 2.847 -6.086 9.409 1.00 0.00 C ATOM 70 C GLY A 5 2.493 -4.619 9.156 1.00 0.00 C ATOM 71 O GLY A 5 3.380 -3.781 8.999 1.00 0.00 O ATOM 0 H GLY A 5 2.847 -5.684 11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.627 -6.400 8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 5 1.976 -6.713 9.215 1.00 0.00 H new ATOM 75 N LEU A 6 1.196 -4.353 9.124 1.00 0.00 N ATOM 76 CA LEU A 6 0.714 -3.002 8.893 1.00 0.00 C ATOM 77 C LEU A 6 1.358 -2.055 9.907 1.00 0.00 C ATOM 78 O LEU A 6 2.292 -2.436 10.611 1.00 0.00 O ATOM 79 CB LEU A 6 -0.816 -2.969 8.906 1.00 0.00 C ATOM 80 CG LEU A 6 -1.490 -3.606 10.123 1.00 0.00 C ATOM 81 CD1 LEU A 6 -1.831 -5.073 9.856 1.00 0.00 C ATOM 82 CD2 LEU A 6 -0.630 -3.436 11.377 1.00 0.00 C ATOM 0 H LEU A 6 0.463 -5.051 9.254 1.00 0.00 H new ATOM 0 HA LEU A 6 1.009 -2.657 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.138 -1.930 8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.178 -3.473 8.010 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.430 -3.085 10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.309 -5.502 10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.510 -5.140 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.917 -5.624 9.635 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.132 -3.897 12.228 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.337 -3.915 11.223 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.482 -2.375 11.575 1.00 0.00 H new ATOM 94 N SER A 7 0.835 -0.839 9.948 1.00 0.00 N ATOM 95 CA SER A 7 1.347 0.166 10.864 1.00 0.00 C ATOM 96 C SER A 7 2.345 1.073 10.141 1.00 0.00 C ATOM 97 O SER A 7 2.370 2.281 10.371 1.00 0.00 O ATOM 98 CB SER A 7 2.007 -0.484 12.081 1.00 0.00 C ATOM 99 OG SER A 7 3.386 -0.767 11.854 1.00 0.00 O ATOM 0 H SER A 7 0.061 -0.526 9.361 1.00 0.00 H new ATOM 0 HA SER A 7 0.508 0.767 11.216 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.910 0.177 12.942 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.483 -1.408 12.327 1.00 0.00 H new ATOM 0 HG SER A 7 3.472 -1.633 11.404 1.00 0.00 H new ATOM 105 N ALA A 8 3.142 0.456 9.281 1.00 0.00 N ATOM 106 CA ALA A 8 4.139 1.193 8.523 1.00 0.00 C ATOM 107 C ALA A 8 5.203 0.221 8.009 1.00 0.00 C ATOM 108 O ALA A 8 5.851 0.484 6.997 1.00 0.00 O ATOM 109 CB ALA A 8 4.732 2.298 9.399 1.00 0.00 C ATOM 0 H ALA A 8 3.118 -0.546 9.092 1.00 0.00 H new ATOM 0 HA ALA A 8 3.685 1.673 7.656 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.480 2.851 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.940 2.977 9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.199 1.854 10.278 1.00 0.00 H new ATOM 115 N ASN A 9 5.349 -0.881 8.729 1.00 0.00 N ATOM 116 CA ASN A 9 6.324 -1.893 8.358 1.00 0.00 C ATOM 117 C ASN A 9 6.138 -2.258 6.883 1.00 0.00 C ATOM 118 O ASN A 9 6.877 -1.779 6.024 1.00 0.00 O ATOM 119 CB ASN A 9 6.139 -3.166 9.186 1.00 0.00 C ATOM 120 CG ASN A 9 7.358 -3.425 10.073 1.00 0.00 C ATOM 121 OD1 ASN A 9 8.173 -4.295 9.814 1.00 0.00 O ATOM 122 ND2 ASN A 9 7.438 -2.623 11.131 1.00 0.00 N ATOM 0 H ASN A 9 4.809 -1.096 9.567 1.00 0.00 H new ATOM 0 HA ASN A 9 7.318 -1.485 8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.247 -3.075 9.806 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.981 -4.016 8.522 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.216 -2.716 11.784 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.721 -1.915 11.289 1.00 0.00 H new ATOM 129 N GLN A 10 5.147 -3.102 6.636 1.00 0.00 N ATOM 130 CA GLN A 10 4.855 -3.536 5.280 1.00 0.00 C ATOM 131 C GLN A 10 4.870 -2.341 4.325 1.00 0.00 C ATOM 132 O GLN A 10 5.241 -2.477 3.160 1.00 0.00 O ATOM 133 CB GLN A 10 3.514 -4.271 5.217 1.00 0.00 C ATOM 134 CG GLN A 10 2.422 -3.483 5.943 1.00 0.00 C ATOM 135 CD GLN A 10 1.059 -4.161 5.785 1.00 0.00 C ATOM 136 OE1 GLN A 10 0.360 -4.438 6.745 1.00 0.00 O ATOM 137 NE2 GLN A 10 0.723 -4.412 4.523 1.00 0.00 N ATOM 0 H GLN A 10 4.536 -3.497 7.351 1.00 0.00 H new ATOM 0 HA GLN A 10 5.631 -4.235 4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.227 -4.423 4.176 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.615 -5.259 5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.671 -3.400 7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.376 -2.469 5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.356 -4.154 3.766 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.167 -4.863 4.312 1.00 0.00 H new ATOM 146 N CYS A 11 4.463 -1.196 4.854 1.00 0.00 N ATOM 147 CA CYS A 11 4.425 0.022 4.063 1.00 0.00 C ATOM 148 C CYS A 11 5.562 0.934 4.530 1.00 0.00 C ATOM 149 O CYS A 11 5.364 2.133 4.717 1.00 0.00 O ATOM 150 CB CYS A 11 3.064 0.715 4.155 1.00 0.00 C ATOM 151 SG CYS A 11 1.631 -0.419 4.250 1.00 0.00 S ATOM 0 H CYS A 11 4.157 -1.086 5.821 1.00 0.00 H new ATOM 0 HA CYS A 11 4.565 -0.222 3.010 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.059 1.359 5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.941 1.361 3.286 1.00 0.00 H new ATOM 156 N ALA A 12 6.728 0.329 4.705 1.00 0.00 N ATOM 157 CA ALA A 12 7.897 1.072 5.147 1.00 0.00 C ATOM 158 C ALA A 12 8.820 1.319 3.953 1.00 0.00 C ATOM 159 O ALA A 12 10.037 1.177 4.065 1.00 0.00 O ATOM 160 CB ALA A 12 8.593 0.305 6.274 1.00 0.00 C ATOM 0 H ALA A 12 6.889 -0.666 4.549 1.00 0.00 H new ATOM 0 HA ALA A 12 7.606 2.044 5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.469 0.862 6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.904 0.181 7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.902 -0.675 5.910 1.00 0.00 H new ATOM 166 N VAL A 13 8.207 1.684 2.837 1.00 0.00 N ATOM 167 CA VAL A 13 8.959 1.952 1.623 1.00 0.00 C ATOM 168 C VAL A 13 9.375 3.424 1.600 1.00 0.00 C ATOM 169 O VAL A 13 8.638 4.289 2.072 1.00 0.00 O ATOM 170 CB VAL A 13 8.138 1.544 0.398 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.025 0.889 -0.663 1.00 0.00 C ATOM 172 CG2 VAL A 13 6.985 0.620 0.794 1.00 0.00 C ATOM 0 H VAL A 13 7.198 1.801 2.748 1.00 0.00 H new ATOM 0 HA VAL A 13 9.871 1.356 1.600 1.00 0.00 H new ATOM 0 HB VAL A 13 7.710 2.448 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.417 0.609 -1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.796 1.592 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.495 -0.001 -0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.417 0.345 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.384 -0.280 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.331 1.135 1.497 1.00 0.00 H new ATOM 182 N PRO A 14 10.586 3.671 1.033 1.00 0.00 N ATOM 183 CA PRO A 14 11.109 5.024 0.942 1.00 0.00 C ATOM 184 C PRO A 14 10.395 5.815 -0.155 1.00 0.00 C ATOM 185 O PRO A 14 10.711 6.980 -0.391 1.00 0.00 O ATOM 186 CB PRO A 14 12.596 4.854 0.680 1.00 0.00 C ATOM 187 CG PRO A 14 12.770 3.432 0.172 1.00 0.00 C ATOM 188 CD PRO A 14 11.486 2.672 0.464 1.00 0.00 C ATOM 0 HA PRO A 14 10.942 5.602 1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.948 5.577 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.174 5.017 1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.979 3.432 -0.898 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.617 2.953 0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.069 2.235 -0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.660 1.853 1.162 1.00 0.00 H new ATOM 196 N ALA A 15 9.444 5.151 -0.796 1.00 0.00 N ATOM 197 CA ALA A 15 8.682 5.779 -1.863 1.00 0.00 C ATOM 198 C ALA A 15 9.378 5.520 -3.201 1.00 0.00 C ATOM 199 O ALA A 15 8.734 5.517 -4.249 1.00 0.00 O ATOM 200 CB ALA A 15 8.524 7.271 -1.567 1.00 0.00 C ATOM 0 H ALA A 15 9.184 4.185 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 15 7.681 5.351 -1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.953 7.742 -2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.999 7.401 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.508 7.735 -1.502 1.00 0.00 H new ATOM 206 N LYS A 16 10.684 5.309 -3.121 1.00 0.00 N ATOM 207 CA LYS A 16 11.474 5.049 -4.313 1.00 0.00 C ATOM 208 C LYS A 16 11.522 3.542 -4.570 1.00 0.00 C ATOM 209 O LYS A 16 12.304 3.074 -5.395 1.00 0.00 O ATOM 210 CB LYS A 16 12.855 5.697 -4.191 1.00 0.00 C ATOM 211 CG LYS A 16 13.653 5.073 -3.044 1.00 0.00 C ATOM 212 CD LYS A 16 14.629 4.017 -3.566 1.00 0.00 C ATOM 213 CE LYS A 16 15.756 4.663 -4.375 1.00 0.00 C ATOM 214 NZ LYS A 16 16.791 3.661 -4.712 1.00 0.00 N ATOM 0 H LYS A 16 11.215 5.313 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 16 11.008 5.506 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.401 5.577 -5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.745 6.768 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.203 5.851 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.970 4.619 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.050 3.461 -2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.095 3.299 -4.189 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.352 5.099 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.202 5.477 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.548 4.115 -5.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.188 3.264 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.365 2.898 -5.276 1.00 0.00 H new ATOM 228 N ASP A 17 10.674 2.824 -3.848 1.00 0.00 N ATOM 229 CA ASP A 17 10.610 1.379 -3.988 1.00 0.00 C ATOM 230 C ASP A 17 9.145 0.941 -4.049 1.00 0.00 C ATOM 231 O ASP A 17 8.835 -0.231 -3.846 1.00 0.00 O ATOM 232 CB ASP A 17 11.262 0.680 -2.793 1.00 0.00 C ATOM 233 CG ASP A 17 12.441 -0.231 -3.140 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.332 -0.932 -4.169 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.424 -0.205 -2.369 1.00 0.00 O ATOM 0 H ASP A 17 10.026 3.216 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 17 11.141 1.105 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.604 1.439 -2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.504 0.088 -2.280 1.00 0.00 H new ATOM 240 N ARG A 18 8.284 1.908 -4.331 1.00 0.00 N ATOM 241 CA ARG A 18 6.859 1.637 -4.422 1.00 0.00 C ATOM 242 C ARG A 18 6.539 0.914 -5.732 1.00 0.00 C ATOM 243 O ARG A 18 6.667 1.491 -6.811 1.00 0.00 O ATOM 244 CB ARG A 18 6.047 2.932 -4.350 1.00 0.00 C ATOM 245 CG ARG A 18 6.537 3.824 -3.208 1.00 0.00 C ATOM 246 CD ARG A 18 6.239 3.187 -1.848 1.00 0.00 C ATOM 247 NE ARG A 18 6.312 4.212 -0.783 1.00 0.00 N ATOM 248 CZ ARG A 18 5.487 5.264 -0.695 1.00 0.00 C ATOM 249 NH1 ARG A 18 4.522 5.437 -1.608 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.627 6.144 0.306 1.00 0.00 N ATOM 0 H ARG A 18 8.545 2.879 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 18 6.587 1.003 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.127 3.469 -5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.993 2.697 -4.206 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.609 3.992 -3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.054 4.799 -3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.249 2.732 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.954 2.389 -1.646 1.00 0.00 H new ATOM 0 HE ARG A 18 7.036 4.111 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.415 4.768 -2.370 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.894 6.238 -1.541 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.362 6.013 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.999 6.945 0.373 1.00 0.00 H new ATOM 264 N VAL A 19 6.127 -0.338 -5.595 1.00 0.00 N ATOM 265 CA VAL A 19 5.788 -1.145 -6.754 1.00 0.00 C ATOM 266 C VAL A 19 4.492 -0.619 -7.374 1.00 0.00 C ATOM 267 O VAL A 19 4.121 -1.017 -8.478 1.00 0.00 O ATOM 268 CB VAL A 19 5.705 -2.621 -6.358 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.680 -3.520 -7.596 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.856 -3.003 -5.425 1.00 0.00 C ATOM 0 H VAL A 19 6.020 -0.813 -4.699 1.00 0.00 H new ATOM 0 HA VAL A 19 6.566 -1.069 -7.513 1.00 0.00 H new ATOM 0 HB VAL A 19 4.771 -2.771 -5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.621 -4.564 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.812 -3.273 -8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.589 -3.365 -8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.774 -4.057 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.806 -2.829 -5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.809 -2.395 -4.521 1.00 0.00 H new ATOM 280 N ASP A 20 3.838 0.267 -6.638 1.00 0.00 N ATOM 281 CA ASP A 20 2.591 0.852 -7.102 1.00 0.00 C ATOM 282 C ASP A 20 1.578 -0.264 -7.367 1.00 0.00 C ATOM 283 O ASP A 20 1.775 -1.088 -8.259 1.00 0.00 O ATOM 284 CB ASP A 20 2.797 1.623 -8.407 1.00 0.00 C ATOM 285 CG ASP A 20 1.567 2.383 -8.910 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.649 2.584 -8.086 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.573 2.744 -10.107 1.00 0.00 O ATOM 0 H ASP A 20 4.148 0.594 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 20 2.231 1.535 -6.333 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.612 2.333 -8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.114 0.922 -9.180 1.00 0.00 H new ATOM 292 N CYS A 21 0.514 -0.254 -6.576 1.00 0.00 N ATOM 293 CA CYS A 21 -0.530 -1.254 -6.715 1.00 0.00 C ATOM 294 C CYS A 21 -1.419 -0.861 -7.896 1.00 0.00 C ATOM 295 O CYS A 21 -2.259 -1.645 -8.334 1.00 0.00 O ATOM 296 CB CYS A 21 -1.336 -1.413 -5.423 1.00 0.00 C ATOM 297 SG CYS A 21 -1.514 -3.137 -4.837 1.00 0.00 S ATOM 0 H CYS A 21 0.353 0.431 -5.837 1.00 0.00 H new ATOM 0 HA CYS A 21 -0.080 -2.228 -6.909 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.859 -0.825 -4.639 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.330 -0.992 -5.577 1.00 0.00 H new ATOM 302 N GLY A 22 -1.202 0.354 -8.380 1.00 0.00 N ATOM 303 CA GLY A 22 -1.973 0.860 -9.503 1.00 0.00 C ATOM 304 C GLY A 22 -3.474 0.769 -9.223 1.00 0.00 C ATOM 305 O GLY A 22 -4.150 -0.126 -9.728 1.00 0.00 O ATOM 0 H GLY A 22 -0.504 1.002 -8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.698 1.896 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.732 0.290 -10.400 1.00 0.00 H new ATOM 309 N TYR A 23 -3.952 1.708 -8.419 1.00 0.00 N ATOM 310 CA TYR A 23 -5.361 1.744 -8.066 1.00 0.00 C ATOM 311 C TYR A 23 -5.854 3.186 -7.926 1.00 0.00 C ATOM 312 O TYR A 23 -5.113 4.058 -7.474 1.00 0.00 O ATOM 313 CB TYR A 23 -5.475 1.045 -6.710 1.00 0.00 C ATOM 314 CG TYR A 23 -6.747 0.212 -6.544 1.00 0.00 C ATOM 315 CD1 TYR A 23 -7.069 -0.750 -7.481 1.00 0.00 C ATOM 316 CD2 TYR A 23 -7.573 0.422 -5.459 1.00 0.00 C ATOM 317 CE1 TYR A 23 -8.267 -1.534 -7.324 1.00 0.00 C ATOM 318 CE2 TYR A 23 -8.770 -0.363 -5.302 1.00 0.00 C ATOM 319 CZ TYR A 23 -9.058 -1.302 -6.243 1.00 0.00 C ATOM 320 OH TYR A 23 -10.189 -2.042 -6.096 1.00 0.00 O ATOM 0 H TYR A 23 -3.389 2.449 -8.002 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.962 1.261 -8.837 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.609 0.398 -6.573 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.440 1.797 -5.921 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.423 -0.914 -8.331 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.322 1.175 -4.727 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.531 -2.290 -8.049 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.424 -0.210 -4.456 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.953 -2.991 -6.035 1.00 0.00 H new ATOM 330 N PRO A 24 -7.134 3.398 -8.332 1.00 0.00 N ATOM 331 CA PRO A 24 -7.735 4.719 -8.256 1.00 0.00 C ATOM 332 C PRO A 24 -8.097 5.074 -6.813 1.00 0.00 C ATOM 333 O PRO A 24 -7.360 5.797 -6.144 1.00 0.00 O ATOM 334 CB PRO A 24 -8.945 4.654 -9.174 1.00 0.00 C ATOM 335 CG PRO A 24 -9.245 3.176 -9.365 1.00 0.00 C ATOM 336 CD PRO A 24 -8.041 2.389 -8.872 1.00 0.00 C ATOM 0 HA PRO A 24 -7.055 5.510 -8.572 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.797 5.172 -8.734 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.737 5.137 -10.129 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.139 2.893 -8.810 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.439 2.958 -10.415 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.327 1.665 -8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.574 1.830 -9.683 1.00 0.00 H new ATOM 344 N HIS A 25 -9.233 4.550 -6.375 1.00 0.00 N ATOM 345 CA HIS A 25 -9.702 4.803 -5.024 1.00 0.00 C ATOM 346 C HIS A 25 -8.714 4.209 -4.018 1.00 0.00 C ATOM 347 O HIS A 25 -8.785 3.023 -3.699 1.00 0.00 O ATOM 348 CB HIS A 25 -11.127 4.279 -4.836 1.00 0.00 C ATOM 349 CG HIS A 25 -11.211 3.007 -4.026 1.00 0.00 C ATOM 350 ND1 HIS A 25 -11.790 2.955 -2.770 1.00 0.00 N ATOM 351 CD2 HIS A 25 -10.786 1.742 -4.307 1.00 0.00 C ATOM 352 CE1 HIS A 25 -11.710 1.710 -2.324 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.087 0.960 -3.277 1.00 0.00 N ATOM 0 H HIS A 25 -9.842 3.951 -6.933 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.746 5.877 -4.846 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.725 5.049 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.571 4.104 -5.816 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -12.207 3.741 -2.272 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.289 1.429 -5.213 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.074 1.352 -1.372 1.00 0.00 H new ATOM 362 N VAL A 26 -7.815 5.060 -3.546 1.00 0.00 N ATOM 363 CA VAL A 26 -6.814 4.634 -2.583 1.00 0.00 C ATOM 364 C VAL A 26 -6.867 5.551 -1.359 1.00 0.00 C ATOM 365 O VAL A 26 -6.777 6.771 -1.489 1.00 0.00 O ATOM 366 CB VAL A 26 -5.435 4.597 -3.243 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.367 3.503 -4.311 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.072 5.962 -3.833 1.00 0.00 C ATOM 0 H VAL A 26 -7.759 6.043 -3.813 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.022 3.621 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.702 4.359 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.376 3.498 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.560 2.534 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.116 3.697 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.087 5.908 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.811 6.242 -4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.059 6.710 -3.040 1.00 0.00 H new ATOM 378 N THR A 27 -7.012 4.929 -0.198 1.00 0.00 N ATOM 379 CA THR A 27 -7.078 5.674 1.047 1.00 0.00 C ATOM 380 C THR A 27 -6.292 4.951 2.143 1.00 0.00 C ATOM 381 O THR A 27 -5.821 3.833 1.940 1.00 0.00 O ATOM 382 CB THR A 27 -8.553 5.884 1.395 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.882 4.761 2.208 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.468 5.743 0.177 1.00 0.00 C ATOM 0 H THR A 27 -7.086 3.917 -0.094 1.00 0.00 H new ATOM 0 HA THR A 27 -6.610 6.653 0.947 1.00 0.00 H new ATOM 0 HB THR A 27 -8.684 6.873 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.822 4.818 2.480 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.503 5.901 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.192 6.484 -0.573 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.362 4.743 -0.244 1.00 0.00 H new ATOM 392 N PRO A 28 -6.172 5.636 3.312 1.00 0.00 N ATOM 393 CA PRO A 28 -5.452 5.072 4.440 1.00 0.00 C ATOM 394 C PRO A 28 -6.276 3.979 5.125 1.00 0.00 C ATOM 395 O PRO A 28 -6.279 3.877 6.351 1.00 0.00 O ATOM 396 CB PRO A 28 -5.158 6.253 5.350 1.00 0.00 C ATOM 397 CG PRO A 28 -6.121 7.351 4.932 1.00 0.00 C ATOM 398 CD PRO A 28 -6.717 6.962 3.588 1.00 0.00 C ATOM 0 HA PRO A 28 -4.528 4.576 4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.302 5.985 6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.124 6.580 5.244 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.907 7.473 5.677 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.601 8.306 4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.806 6.942 3.628 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.440 7.674 2.811 1.00 0.00 H new ATOM 406 N LYS A 29 -6.954 3.191 4.304 1.00 0.00 N ATOM 407 CA LYS A 29 -7.779 2.111 4.816 1.00 0.00 C ATOM 408 C LYS A 29 -8.368 1.325 3.642 1.00 0.00 C ATOM 409 O LYS A 29 -8.336 0.095 3.635 1.00 0.00 O ATOM 410 CB LYS A 29 -8.833 2.653 5.783 1.00 0.00 C ATOM 411 CG LYS A 29 -9.242 1.588 6.802 1.00 0.00 C ATOM 412 CD LYS A 29 -10.306 0.654 6.222 1.00 0.00 C ATOM 413 CE LYS A 29 -10.504 -0.573 7.114 1.00 0.00 C ATOM 414 NZ LYS A 29 -11.491 -0.287 8.179 1.00 0.00 N ATOM 0 H LYS A 29 -6.949 3.279 3.288 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.176 1.414 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.440 3.527 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.709 2.982 5.224 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.368 1.009 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.626 2.069 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.249 1.190 6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.011 0.337 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.844 -1.416 6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.553 -0.863 7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.613 -1.131 8.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.152 0.504 8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.403 -0.033 7.748 1.00 0.00 H new ATOM 428 N GLU A 30 -8.893 2.067 2.678 1.00 0.00 N ATOM 429 CA GLU A 30 -9.488 1.456 1.502 1.00 0.00 C ATOM 430 C GLU A 30 -8.402 0.849 0.612 1.00 0.00 C ATOM 431 O GLU A 30 -8.593 -0.219 0.033 1.00 0.00 O ATOM 432 CB GLU A 30 -10.332 2.468 0.725 1.00 0.00 C ATOM 433 CG GLU A 30 -11.824 2.157 0.860 1.00 0.00 C ATOM 434 CD GLU A 30 -12.337 2.528 2.253 1.00 0.00 C ATOM 435 OE1 GLU A 30 -11.749 2.016 3.229 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.307 3.315 2.309 1.00 0.00 O ATOM 0 H GLU A 30 -8.919 3.087 2.688 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.151 0.655 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.132 3.474 1.095 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.047 2.452 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.384 2.707 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.996 1.097 0.675 1.00 0.00 H new ATOM 443 N CYS A 31 -7.285 1.557 0.530 1.00 0.00 N ATOM 444 CA CYS A 31 -6.168 1.102 -0.280 1.00 0.00 C ATOM 445 C CYS A 31 -5.497 -0.069 0.441 1.00 0.00 C ATOM 446 O CYS A 31 -4.966 -0.975 -0.199 1.00 0.00 O ATOM 447 CB CYS A 31 -5.180 2.234 -0.569 1.00 0.00 C ATOM 448 SG CYS A 31 -3.482 1.687 -0.976 1.00 0.00 S ATOM 0 H CYS A 31 -7.130 2.443 1.011 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.533 0.769 -1.252 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.563 2.829 -1.398 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.137 2.890 0.300 1.00 0.00 H new ATOM 453 N ASN A 32 -5.544 -0.013 1.764 1.00 0.00 N ATOM 454 CA ASN A 32 -4.948 -1.058 2.579 1.00 0.00 C ATOM 455 C ASN A 32 -6.002 -2.125 2.884 1.00 0.00 C ATOM 456 O ASN A 32 -5.717 -3.106 3.568 1.00 0.00 O ATOM 457 CB ASN A 32 -4.443 -0.498 3.910 1.00 0.00 C ATOM 458 CG ASN A 32 -5.376 -0.888 5.058 1.00 0.00 C ATOM 459 OD1 ASN A 32 -6.575 -0.664 5.022 1.00 0.00 O ATOM 460 ND2 ASN A 32 -4.762 -1.482 6.077 1.00 0.00 N ATOM 0 H ASN A 32 -5.986 0.740 2.292 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.110 -1.481 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.439 -0.873 4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.371 0.588 3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.298 -1.780 6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.755 -1.640 6.044 1.00 0.00 H new ATOM 467 N ASN A 33 -7.198 -1.896 2.361 1.00 0.00 N ATOM 468 CA ASN A 33 -8.295 -2.825 2.569 1.00 0.00 C ATOM 469 C ASN A 33 -8.463 -3.696 1.323 1.00 0.00 C ATOM 470 O ASN A 33 -8.710 -4.896 1.429 1.00 0.00 O ATOM 471 CB ASN A 33 -9.610 -2.080 2.806 1.00 0.00 C ATOM 472 CG ASN A 33 -10.806 -3.027 2.691 1.00 0.00 C ATOM 473 OD1 ASN A 33 -10.673 -4.240 2.704 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.978 -2.409 2.579 1.00 0.00 N ATOM 0 H ASN A 33 -7.431 -1.081 1.794 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.062 -3.432 3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.599 -1.621 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.710 -1.272 2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.836 -2.954 2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.019 -1.390 2.575 1.00 0.00 H new ATOM 481 N ARG A 34 -8.323 -3.058 0.170 1.00 0.00 N ATOM 482 CA ARG A 34 -8.456 -3.760 -1.095 1.00 0.00 C ATOM 483 C ARG A 34 -7.426 -4.887 -1.188 1.00 0.00 C ATOM 484 O ARG A 34 -7.618 -5.849 -1.930 1.00 0.00 O ATOM 485 CB ARG A 34 -8.266 -2.806 -2.277 1.00 0.00 C ATOM 486 CG ARG A 34 -9.193 -3.178 -3.436 1.00 0.00 C ATOM 487 CD ARG A 34 -10.638 -3.330 -2.956 1.00 0.00 C ATOM 488 NE ARG A 34 -10.975 -4.764 -2.813 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.121 -5.217 -2.285 1.00 0.00 C ATOM 490 NH1 ARG A 34 -13.045 -4.351 -1.847 1.00 0.00 N ATOM 491 NH2 ARG A 34 -12.342 -6.535 -2.195 1.00 0.00 N ATOM 0 H ARG A 34 -8.119 -2.062 0.086 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.462 -4.178 -1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.468 -1.783 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.229 -2.838 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.141 -2.410 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.857 -4.110 -3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.768 -2.820 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.317 -2.857 -3.665 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.293 -5.450 -3.136 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.876 -3.347 -1.915 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.917 -4.695 -1.445 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.638 -7.194 -2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.214 -6.880 -1.793 1.00 0.00 H new ATOM 505 N GLY A 35 -6.354 -4.730 -0.424 1.00 0.00 N ATOM 506 CA GLY A 35 -5.293 -5.723 -0.411 1.00 0.00 C ATOM 507 C GLY A 35 -3.987 -5.137 -0.952 1.00 0.00 C ATOM 508 O GLY A 35 -3.592 -5.429 -2.079 1.00 0.00 O ATOM 0 H GLY A 35 -6.198 -3.931 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.140 -6.084 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.587 -6.583 -1.013 1.00 0.00 H new ATOM 512 N CYS A 36 -3.354 -4.321 -0.122 1.00 0.00 N ATOM 513 CA CYS A 36 -2.101 -3.691 -0.503 1.00 0.00 C ATOM 514 C CYS A 36 -1.703 -2.708 0.600 1.00 0.00 C ATOM 515 O CYS A 36 -2.103 -2.867 1.752 1.00 0.00 O ATOM 516 CB CYS A 36 -2.204 -3.007 -1.868 1.00 0.00 C ATOM 517 SG CYS A 36 -0.841 -3.397 -3.025 1.00 0.00 S ATOM 0 H CYS A 36 -3.685 -4.082 0.813 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.326 -4.450 -0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.148 -3.292 -2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.236 -1.928 -1.717 1.00 0.00 H new ATOM 522 N CYS A 37 -0.920 -1.714 0.208 1.00 0.00 N ATOM 523 CA CYS A 37 -0.464 -0.705 1.148 1.00 0.00 C ATOM 524 C CYS A 37 -0.854 0.671 0.604 1.00 0.00 C ATOM 525 O CYS A 37 -0.932 0.864 -0.608 1.00 0.00 O ATOM 526 CB CYS A 37 1.041 -0.811 1.406 1.00 0.00 C ATOM 527 SG CYS A 37 1.499 -1.785 2.886 1.00 0.00 S ATOM 0 H CYS A 37 -0.590 -1.586 -0.749 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.944 -0.862 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.514 -1.259 0.533 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.449 0.194 1.509 1.00 0.00 H new ATOM 532 N PHE A 38 -1.088 1.592 1.527 1.00 0.00 N ATOM 533 CA PHE A 38 -1.468 2.944 1.155 1.00 0.00 C ATOM 534 C PHE A 38 -0.435 3.960 1.650 1.00 0.00 C ATOM 535 O PHE A 38 0.500 3.602 2.364 1.00 0.00 O ATOM 536 CB PHE A 38 -2.811 3.233 1.828 1.00 0.00 C ATOM 537 CG PHE A 38 -3.278 4.683 1.691 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.897 5.094 0.552 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.072 5.562 2.708 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.330 6.440 0.425 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.504 6.909 2.581 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.124 7.320 1.442 1.00 0.00 C ATOM 0 H PHE A 38 -1.022 1.429 2.532 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.530 3.027 0.070 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.569 2.576 1.400 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.736 2.985 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.059 4.396 -0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.580 5.236 3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.823 6.766 -0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.340 7.607 3.389 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.453 8.344 1.345 1.00 0.00 H new ATOM 552 N ASP A 39 -0.640 5.206 1.250 1.00 0.00 N ATOM 553 CA ASP A 39 0.261 6.276 1.644 1.00 0.00 C ATOM 554 C ASP A 39 -0.242 7.600 1.066 1.00 0.00 C ATOM 555 O ASP A 39 -0.813 7.629 -0.024 1.00 0.00 O ATOM 556 CB ASP A 39 1.673 6.032 1.107 1.00 0.00 C ATOM 557 CG ASP A 39 2.609 7.241 1.176 1.00 0.00 C ATOM 558 OD1 ASP A 39 2.903 7.667 2.313 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.008 7.711 0.089 1.00 0.00 O ATOM 0 H ASP A 39 -1.417 5.499 0.657 1.00 0.00 H new ATOM 0 HA ASP A 39 0.289 6.309 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.122 5.212 1.667 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.600 5.707 0.069 1.00 0.00 H new ATOM 564 N SER A 40 -0.013 8.664 1.821 1.00 0.00 N ATOM 565 CA SER A 40 -0.436 9.988 1.397 1.00 0.00 C ATOM 566 C SER A 40 0.650 11.015 1.726 1.00 0.00 C ATOM 567 O SER A 40 0.399 12.219 1.698 1.00 0.00 O ATOM 568 CB SER A 40 -1.758 10.382 2.060 1.00 0.00 C ATOM 569 OG SER A 40 -1.628 10.515 3.473 1.00 0.00 O ATOM 0 H SER A 40 0.460 8.636 2.724 1.00 0.00 H new ATOM 0 HA SER A 40 -0.593 9.968 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.109 11.324 1.638 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.515 9.630 1.835 1.00 0.00 H new ATOM 0 HG SER A 40 -2.492 10.769 3.859 1.00 0.00 H new ATOM 575 N ARG A 41 1.832 10.501 2.031 1.00 0.00 N ATOM 576 CA ARG A 41 2.957 11.358 2.365 1.00 0.00 C ATOM 577 C ARG A 41 3.343 12.220 1.161 1.00 0.00 C ATOM 578 O ARG A 41 3.554 13.425 1.298 1.00 0.00 O ATOM 579 CB ARG A 41 4.169 10.532 2.802 1.00 0.00 C ATOM 580 CG ARG A 41 4.990 11.278 3.855 1.00 0.00 C ATOM 581 CD ARG A 41 5.961 10.332 4.564 1.00 0.00 C ATOM 582 NE ARG A 41 5.829 10.478 6.031 1.00 0.00 N ATOM 583 CZ ARG A 41 6.455 9.698 6.923 1.00 0.00 C ATOM 584 NH1 ARG A 41 7.260 8.712 6.503 1.00 0.00 N ATOM 585 NH2 ARG A 41 6.276 9.903 8.235 1.00 0.00 N ATOM 0 H ARG A 41 2.035 9.502 2.054 1.00 0.00 H new ATOM 0 HA ARG A 41 2.651 11.999 3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.836 9.576 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.795 10.312 1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.546 12.088 3.382 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.322 11.734 4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.756 9.302 4.273 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.984 10.552 4.259 1.00 0.00 H new ATOM 0 HE ARG A 41 5.224 11.219 6.385 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.396 8.555 5.504 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.736 8.118 7.182 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.663 10.653 8.555 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.753 9.309 8.914 1.00 0.00 H new ATOM 599 N ILE A 42 3.424 11.570 0.010 1.00 0.00 N ATOM 600 CA ILE A 42 3.781 12.262 -1.217 1.00 0.00 C ATOM 601 C ILE A 42 2.993 11.663 -2.383 1.00 0.00 C ATOM 602 O ILE A 42 2.909 10.443 -2.518 1.00 0.00 O ATOM 603 CB ILE A 42 5.297 12.240 -1.423 1.00 0.00 C ATOM 604 CG1 ILE A 42 5.938 11.085 -0.652 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.920 13.589 -1.057 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.416 9.736 -1.150 1.00 0.00 C ATOM 0 H ILE A 42 3.249 10.571 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 42 3.507 13.315 -1.154 1.00 0.00 H new ATOM 0 HB ILE A 42 5.495 12.070 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.021 11.124 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.725 11.191 0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.998 13.546 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.493 14.370 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.713 13.813 -0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.888 8.932 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.336 9.691 -1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.652 9.623 -2.208 1.00 0.00 H new ATOM 618 N PRO A 43 2.422 12.572 -3.218 1.00 0.00 N ATOM 619 CA PRO A 43 1.644 12.145 -4.369 1.00 0.00 C ATOM 620 C PRO A 43 2.554 11.638 -5.489 1.00 0.00 C ATOM 621 O PRO A 43 2.213 10.684 -6.187 1.00 0.00 O ATOM 622 CB PRO A 43 0.833 13.367 -4.770 1.00 0.00 C ATOM 623 CG PRO A 43 1.527 14.557 -4.127 1.00 0.00 C ATOM 624 CD PRO A 43 2.501 14.024 -3.090 1.00 0.00 C ATOM 0 HA PRO A 43 0.988 11.304 -4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.798 13.474 -5.854 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.197 13.282 -4.425 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.054 15.144 -4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.797 15.218 -3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.513 14.383 -3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.227 14.348 -2.086 1.00 0.00 H new ATOM 632 N GLY A 44 3.695 12.298 -5.626 1.00 0.00 N ATOM 633 CA GLY A 44 4.657 11.925 -6.649 1.00 0.00 C ATOM 634 C GLY A 44 4.734 10.405 -6.802 1.00 0.00 C ATOM 635 O GLY A 44 4.719 9.888 -7.918 1.00 0.00 O ATOM 0 H GLY A 44 3.975 13.089 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.375 12.376 -7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.640 12.318 -6.389 1.00 0.00 H new ATOM 639 N VAL A 45 4.814 9.731 -5.664 1.00 0.00 N ATOM 640 CA VAL A 45 4.893 8.280 -5.657 1.00 0.00 C ATOM 641 C VAL A 45 3.479 7.697 -5.685 1.00 0.00 C ATOM 642 O VAL A 45 2.501 8.422 -5.514 1.00 0.00 O ATOM 643 CB VAL A 45 5.712 7.807 -4.454 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.802 8.820 -4.099 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.808 7.530 -3.251 1.00 0.00 C ATOM 0 H VAL A 45 4.826 10.163 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 45 5.410 7.921 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 45 6.201 6.872 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.369 8.459 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.472 8.946 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.343 9.778 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.415 7.195 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.278 8.442 -2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.086 6.755 -3.509 1.00 0.00 H new ATOM 655 N PRO A 46 3.415 6.356 -5.908 1.00 0.00 N ATOM 656 CA PRO A 46 2.138 5.667 -5.961 1.00 0.00 C ATOM 657 C PRO A 46 1.548 5.497 -4.560 1.00 0.00 C ATOM 658 O PRO A 46 1.782 4.484 -3.902 1.00 0.00 O ATOM 659 CB PRO A 46 2.433 4.342 -6.646 1.00 0.00 C ATOM 660 CG PRO A 46 3.936 4.141 -6.532 1.00 0.00 C ATOM 661 CD PRO A 46 4.553 5.466 -6.115 1.00 0.00 C ATOM 0 HA PRO A 46 1.382 6.226 -6.513 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.892 3.526 -6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.120 4.363 -7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.163 3.367 -5.799 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.350 3.810 -7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.143 5.359 -5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.222 5.851 -6.885 1.00 0.00 H new ATOM 669 N TRP A 47 0.794 6.504 -4.144 1.00 0.00 N ATOM 670 CA TRP A 47 0.168 6.479 -2.832 1.00 0.00 C ATOM 671 C TRP A 47 -0.054 5.016 -2.443 1.00 0.00 C ATOM 672 O TRP A 47 0.431 4.565 -1.406 1.00 0.00 O ATOM 673 CB TRP A 47 -1.121 7.303 -2.824 1.00 0.00 C ATOM 674 CG TRP A 47 -0.917 8.772 -2.451 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.175 9.527 -2.635 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.882 9.640 -1.818 1.00 0.00 C ATOM 677 NE1 TRP A 47 -0.014 10.812 -2.170 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.304 10.883 -1.657 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.198 9.383 -1.396 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.970 11.967 -1.072 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.849 10.477 -0.813 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.282 11.735 -0.644 1.00 0.00 C ATOM 0 H TRP A 47 0.602 7.343 -4.692 1.00 0.00 H new ATOM 0 HA TRP A 47 0.814 6.943 -2.087 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.580 7.250 -3.811 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.823 6.854 -2.121 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.088 9.174 -3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.667 11.570 -2.198 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.670 8.418 -1.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.496 12.931 -0.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.863 10.333 -0.470 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.851 12.529 -0.185 1.00 0.00 H new ATOM 693 N CYS A 48 -0.788 4.315 -3.295 1.00 0.00 N ATOM 694 CA CYS A 48 -1.081 2.913 -3.052 1.00 0.00 C ATOM 695 C CYS A 48 0.015 2.072 -3.711 1.00 0.00 C ATOM 696 O CYS A 48 0.201 2.130 -4.926 1.00 0.00 O ATOM 697 CB CYS A 48 -2.474 2.530 -3.557 1.00 0.00 C ATOM 698 SG CYS A 48 -3.200 1.052 -2.758 1.00 0.00 S ATOM 0 H CYS A 48 -1.188 4.692 -4.154 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.090 2.722 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.145 3.375 -3.404 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.420 2.355 -4.632 1.00 0.00 H new ATOM 703 N PHE A 49 0.712 1.310 -2.881 1.00 0.00 N ATOM 704 CA PHE A 49 1.784 0.459 -3.368 1.00 0.00 C ATOM 705 C PHE A 49 1.794 -0.884 -2.635 1.00 0.00 C ATOM 706 O PHE A 49 1.122 -1.044 -1.617 1.00 0.00 O ATOM 707 CB PHE A 49 3.098 1.190 -3.085 1.00 0.00 C ATOM 708 CG PHE A 49 3.200 1.764 -1.670 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.393 0.932 -0.612 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.097 3.105 -1.472 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.488 1.465 0.701 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.191 3.638 -0.159 1.00 0.00 C ATOM 713 CZ PHE A 49 3.384 2.806 0.900 1.00 0.00 C ATOM 0 H PHE A 49 0.555 1.264 -1.874 1.00 0.00 H new ATOM 0 HA PHE A 49 1.648 0.261 -4.431 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.927 0.501 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.213 2.001 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.474 -0.133 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.944 3.765 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.643 0.805 1.542 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.109 4.703 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.455 3.211 1.899 1.00 0.00 H new ATOM 723 N LYS A 50 2.562 -1.814 -3.182 1.00 0.00 N ATOM 724 CA LYS A 50 2.668 -3.139 -2.593 1.00 0.00 C ATOM 725 C LYS A 50 3.448 -3.048 -1.281 1.00 0.00 C ATOM 726 O LYS A 50 4.124 -2.053 -1.024 1.00 0.00 O ATOM 727 CB LYS A 50 3.266 -4.125 -3.598 1.00 0.00 C ATOM 728 CG LYS A 50 2.327 -4.334 -4.788 1.00 0.00 C ATOM 729 CD LYS A 50 2.332 -5.795 -5.240 1.00 0.00 C ATOM 730 CE LYS A 50 2.555 -5.901 -6.750 1.00 0.00 C ATOM 731 NZ LYS A 50 1.590 -6.849 -7.352 1.00 0.00 N ATOM 0 H LYS A 50 3.117 -1.677 -4.027 1.00 0.00 H new ATOM 0 HA LYS A 50 1.680 -3.528 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.228 -3.752 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.455 -5.080 -3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.315 -4.038 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.633 -3.693 -5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.116 -6.339 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.385 -6.265 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.444 -4.919 -7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.574 -6.233 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.756 -6.909 -8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.715 -7.789 -6.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.621 -6.516 -7.177 1.00 0.00 H new ATOM 745 N PRO A 51 3.326 -4.128 -0.463 1.00 0.00 N ATOM 746 CA PRO A 51 4.013 -4.179 0.816 1.00 0.00 C ATOM 747 C PRO A 51 5.507 -4.448 0.627 1.00 0.00 C ATOM 748 O PRO A 51 5.889 -5.435 0.000 1.00 0.00 O ATOM 749 CB PRO A 51 3.307 -5.275 1.598 1.00 0.00 C ATOM 750 CG PRO A 51 2.562 -6.109 0.567 1.00 0.00 C ATOM 751 CD PRO A 51 2.535 -5.324 -0.735 1.00 0.00 C ATOM 0 HA PRO A 51 3.970 -3.232 1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.023 -5.884 2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.618 -4.852 2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.056 -7.070 0.423 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.548 -6.320 0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.961 -5.902 -1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.515 -5.068 -1.022 1.00 0.00 H new ATOM 759 N LEU A 52 6.311 -3.552 1.180 1.00 0.00 N ATOM 760 CA LEU A 52 7.755 -3.680 1.080 1.00 0.00 C ATOM 761 C LEU A 52 8.136 -5.162 1.119 1.00 0.00 C ATOM 762 O LEU A 52 7.663 -5.905 1.977 1.00 0.00 O ATOM 763 CB LEU A 52 8.444 -2.840 2.157 1.00 0.00 C ATOM 764 CG LEU A 52 9.956 -3.029 2.291 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.557 -1.992 3.241 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.295 -4.459 2.715 1.00 0.00 C ATOM 0 H LEU A 52 5.990 -2.735 1.699 1.00 0.00 H new ATOM 0 HA LEU A 52 8.107 -3.285 0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.246 -1.788 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.983 -3.068 3.118 1.00 0.00 H new ATOM 0 HG LEU A 52 10.407 -2.868 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.633 -2.149 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.363 -0.991 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.104 -2.096 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.376 -4.566 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.830 -4.673 3.677 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.921 -5.159 1.968 1.00 0.00 H new ATOM 778 N GLN A 53 8.986 -5.546 0.178 1.00 0.00 N ATOM 779 CA GLN A 53 9.435 -6.926 0.094 1.00 0.00 C ATOM 780 C GLN A 53 10.232 -7.302 1.344 1.00 0.00 C ATOM 781 O GLN A 53 11.458 -7.384 1.302 1.00 0.00 O ATOM 782 CB GLN A 53 10.261 -7.157 -1.173 1.00 0.00 C ATOM 783 CG GLN A 53 11.322 -6.068 -1.342 1.00 0.00 C ATOM 784 CD GLN A 53 10.951 -5.113 -2.480 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.876 -5.487 -3.639 1.00 0.00 O ATOM 786 NE2 GLN A 53 10.724 -3.864 -2.085 1.00 0.00 N ATOM 0 H GLN A 53 9.376 -4.926 -0.532 1.00 0.00 H new ATOM 0 HA GLN A 53 8.558 -7.571 0.039 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.742 -8.134 -1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.604 -7.168 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.426 -5.509 -0.412 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.289 -6.526 -1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.804 -3.619 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.470 -3.151 -2.769 1.00 0.00 H new ATOM 795 N GLU A 54 9.502 -7.521 2.428 1.00 0.00 N ATOM 796 CA GLU A 54 10.125 -7.886 3.689 1.00 0.00 C ATOM 797 C GLU A 54 11.179 -8.973 3.465 1.00 0.00 C ATOM 798 O GLU A 54 10.857 -10.070 3.010 1.00 0.00 O ATOM 799 CB GLU A 54 9.078 -8.339 4.708 1.00 0.00 C ATOM 800 CG GLU A 54 8.759 -9.826 4.542 1.00 0.00 C ATOM 801 CD GLU A 54 7.560 -10.230 5.403 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.424 -10.034 4.919 1.00 0.00 O ATOM 803 OE2 GLU A 54 7.807 -10.724 6.524 1.00 0.00 O ATOM 0 H GLU A 54 8.485 -7.453 2.459 1.00 0.00 H new ATOM 0 HA GLU A 54 10.621 -7.004 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.444 -8.152 5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.168 -7.752 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.548 -10.041 3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.628 -10.421 4.821 1.00 0.00 H new ATOM 810 N ALA A 55 12.416 -8.631 3.794 1.00 0.00 N ATOM 811 CA ALA A 55 13.518 -9.564 3.635 1.00 0.00 C ATOM 812 C ALA A 55 14.692 -9.114 4.507 1.00 0.00 C ATOM 813 O ALA A 55 14.647 -8.043 5.110 1.00 0.00 O ATOM 814 CB ALA A 55 13.894 -9.661 2.155 1.00 0.00 C ATOM 0 H ALA A 55 12.679 -7.720 4.170 1.00 0.00 H new ATOM 0 HA ALA A 55 13.227 -10.562 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.721 -10.361 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.035 -10.013 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.194 -8.679 1.791 1.00 0.00 H new ATOM 820 N GLU A 56 15.715 -9.955 4.545 1.00 0.00 N ATOM 821 CA GLU A 56 16.899 -9.657 5.334 1.00 0.00 C ATOM 822 C GLU A 56 17.664 -8.482 4.720 1.00 0.00 C ATOM 823 O GLU A 56 17.795 -8.392 3.500 1.00 0.00 O ATOM 824 CB GLU A 56 17.797 -10.889 5.461 1.00 0.00 C ATOM 825 CG GLU A 56 17.895 -11.347 6.918 1.00 0.00 C ATOM 826 CD GLU A 56 19.306 -11.843 7.243 1.00 0.00 C ATOM 827 OE1 GLU A 56 20.249 -11.050 7.031 1.00 0.00 O ATOM 828 OE2 GLU A 56 19.409 -13.003 7.696 1.00 0.00 O ATOM 0 H GLU A 56 15.749 -10.842 4.043 1.00 0.00 H new ATOM 0 HA GLU A 56 16.582 -9.374 6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.400 -11.698 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 56 18.792 -10.659 5.080 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.634 -10.522 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.174 -12.144 7.102 1.00 0.00 H new ATOM 835 N CYS A 57 18.148 -7.611 5.593 1.00 0.00 N ATOM 836 CA CYS A 57 18.896 -6.446 5.152 1.00 0.00 C ATOM 837 C CYS A 57 20.372 -6.834 5.049 1.00 0.00 C ATOM 838 O CYS A 57 21.174 -6.474 5.910 1.00 0.00 O ATOM 839 CB CYS A 57 18.683 -5.251 6.084 1.00 0.00 C ATOM 840 SG CYS A 57 18.682 -3.621 5.253 1.00 0.00 S ATOM 0 H CYS A 57 18.037 -7.689 6.604 1.00 0.00 H new ATOM 0 HA CYS A 57 18.536 -6.128 4.174 1.00 0.00 H new ATOM 0 HB2 CYS A 57 17.734 -5.379 6.604 1.00 0.00 H new ATOM 0 HB3 CYS A 57 19.465 -5.256 6.843 1.00 0.00 H new ATOM 0 HG CYS A 57 18.492 -2.685 6.135 1.00 0.00 H new ATOM 845 N THR A 58 20.687 -7.564 3.989 1.00 0.00 N ATOM 846 CA THR A 58 22.053 -8.004 3.762 1.00 0.00 C ATOM 847 C THR A 58 22.946 -6.813 3.407 1.00 0.00 C ATOM 848 O THR A 58 22.457 -5.780 2.954 1.00 0.00 O ATOM 849 CB THR A 58 22.027 -9.087 2.682 1.00 0.00 C ATOM 850 OG1 THR A 58 23.380 -9.527 2.598 1.00 0.00 O ATOM 851 CG2 THR A 58 21.733 -8.521 1.292 1.00 0.00 C ATOM 0 H THR A 58 20.019 -7.862 3.278 1.00 0.00 H new ATOM 0 HA THR A 58 22.485 -8.435 4.665 1.00 0.00 H new ATOM 0 HB THR A 58 21.275 -9.834 2.936 1.00 0.00 H new ATOM 0 HG1 THR A 58 23.453 -10.232 1.921 1.00 0.00 H new ATOM 0 HG21 THR A 58 21.726 -9.331 0.563 1.00 0.00 H new ATOM 0 HG22 THR A 58 20.760 -8.030 1.298 1.00 0.00 H new ATOM 0 HG23 THR A 58 22.503 -7.798 1.023 1.00 0.00 H new ATOM 859 N PHE A 59 24.239 -6.998 3.628 1.00 0.00 N ATOM 860 CA PHE A 59 25.204 -5.952 3.337 1.00 0.00 C ATOM 861 C PHE A 59 24.846 -5.219 2.042 1.00 0.00 C ATOM 862 O PHE A 59 24.237 -4.151 2.078 1.00 0.00 O ATOM 863 CB PHE A 59 26.563 -6.633 3.163 1.00 0.00 C ATOM 864 CG PHE A 59 27.753 -5.673 3.231 1.00 0.00 C ATOM 865 CD1 PHE A 59 27.930 -4.885 4.325 1.00 0.00 C ATOM 866 CD2 PHE A 59 28.634 -5.609 2.197 1.00 0.00 C ATOM 867 CE1 PHE A 59 29.034 -3.994 4.387 1.00 0.00 C ATOM 868 CE2 PHE A 59 29.739 -4.718 2.259 1.00 0.00 C ATOM 869 CZ PHE A 59 29.915 -3.930 3.353 1.00 0.00 C ATOM 0 H PHE A 59 24.641 -7.856 4.005 1.00 0.00 H new ATOM 0 HA PHE A 59 25.215 -5.221 4.146 1.00 0.00 H new ATOM 0 HB2 PHE A 59 26.678 -7.394 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 59 26.579 -7.148 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 59 27.231 -4.937 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 59 28.494 -6.236 1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 59 29.174 -3.367 5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 59 30.439 -4.667 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 59 30.755 -3.253 3.401 1.00 0.00 H new TER 879 PHE A 59