USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 607 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 74 CYS SG : rot 161:sc= 0.6 USER MOD Set 1.2: A 77 CYS SG : rot -45:sc= 0.207 USER MOD Set 1.3: A 90 HIS : no HE2:sc= 0.028 K(o=0.086,f=-0.48) USER MOD Set 1.4: A 95 HIS : no HE2:sc= -0.749 X(o=0.086,f=-0.19) USER MOD Set 2.1: A 51 CYS SG : rot 70:sc= -1.97! USER MOD Set 2.2: A 56 SER OG : rot -138:sc= 0.693 USER MOD Set 3.1: A 44 CYS SG : rot 120:sc= -1.69! USER MOD Set 3.2: A 47 CYS SG : rot -52:sc= -0.324! USER MOD Set 3.3: A 60 HIS : no HD1:sc= 0.088 K(o=-2,f=-3.2) USER MOD Set 3.4: A 64 HIS :FLIP no HD1:sc= -0.0453 F(o=-2.6,f=-2) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 5.1: A 16 CYS SG : rot 168:sc= 0.247 USER MOD Set 5.2: A 19 CYS SG : rot 56:sc= 0.34 USER MOD Set 5.3: A 32 HIS : no HE2:sc= -0.215 K(o=0.16,f=-1.1) USER MOD Set 5.4: A 36 HIS :FLIP no HD1:sc= -0.216 F(o=-0.51,f=0.16) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.115 USER MOD Single : A 28 ASN : amide:sc= -1.33 K(o=-1.3,f=-4.3!) USER MOD Single : A 34 MET CE :methyl -157:sc= -0.222 (180deg=-0.864) USER MOD Single : A 37 THR OG1 : rot 71:sc= -0.51 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00713 K(o=-0.0071,f=-12!) USER MOD Single : A 50 THR OG1 : rot -170:sc= -0.429 USER MOD Single : A 53 GLN : amide:sc= -2.48! C(o=-2.5!,f=-4!) USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0175) USER MOD Single : A 58 ASN : amide:sc=-0.00655 X(o=-0.0066,f=0) USER MOD Single : A 61 MET CE :methyl -164:sc= -0.106 (180deg=-0.542) USER MOD Single : A 62 LYS NZ :NH3+ 173:sc=-0.00548 (180deg=-0.0732) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -23:sc= 0.242 USER MOD Single : A 75 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -122:sc= 1.24 (180deg=-0.0693) USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00328) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -19:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 12 14.579 -12.522 16.330 1.00 0.00 N ATOM 37 CA ARG A 12 13.124 -12.581 16.009 1.00 0.00 C ATOM 38 C ARG A 12 12.643 -11.233 15.425 1.00 0.00 C ATOM 39 O ARG A 12 11.446 -10.910 15.414 1.00 0.00 O ATOM 40 CB ARG A 12 12.319 -12.965 17.287 1.00 0.00 C ATOM 41 CG ARG A 12 12.397 -11.927 18.427 1.00 0.00 C ATOM 42 CD ARG A 12 11.661 -12.374 19.701 1.00 0.00 C ATOM 43 NE ARG A 12 12.295 -13.555 20.310 1.00 0.00 N ATOM 44 CZ ARG A 12 11.664 -14.529 20.976 1.00 0.00 C ATOM 45 NH1 ARG A 12 10.335 -14.536 21.083 1.00 0.00 N ATOM 46 NH2 ARG A 12 12.381 -15.491 21.539 1.00 0.00 N ATOM 0 HA ARG A 12 12.954 -13.347 15.252 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.274 -13.108 17.014 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.685 -13.922 17.658 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.443 -11.737 18.667 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.973 -10.984 18.082 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.649 -11.555 20.421 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.623 -12.602 19.460 1.00 0.00 H new ATOM 0 HE ARG A 12 13.307 -13.638 20.216 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.785 -13.792 20.654 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.868 -15.285 21.594 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.398 -15.481 21.461 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.916 -16.241 22.050 1.00 0.00 H new ATOM 60 N ASP A 13 13.604 -10.499 14.866 1.00 0.00 N ATOM 61 CA ASP A 13 13.434 -9.129 14.379 1.00 0.00 C ATOM 62 C ASP A 13 14.301 -8.974 13.142 1.00 0.00 C ATOM 63 O ASP A 13 15.523 -8.847 13.246 1.00 0.00 O ATOM 64 CB ASP A 13 13.851 -8.085 15.451 1.00 0.00 C ATOM 65 CG ASP A 13 12.894 -7.999 16.659 1.00 0.00 C ATOM 66 OD1 ASP A 13 11.854 -7.318 16.549 1.00 0.00 O ATOM 67 OD2 ASP A 13 13.189 -8.599 17.717 1.00 0.00 O ATOM 0 H ASP A 13 14.552 -10.851 14.735 1.00 0.00 H new ATOM 0 HA ASP A 13 12.383 -8.951 14.150 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.850 -8.330 15.811 1.00 0.00 H new ATOM 0 HB3 ASP A 13 13.913 -7.104 14.981 1.00 0.00 H new ATOM 72 N TYR A 14 13.669 -9.065 11.985 1.00 0.00 N ATOM 73 CA TYR A 14 14.336 -8.929 10.685 1.00 0.00 C ATOM 74 C TYR A 14 14.387 -7.452 10.313 1.00 0.00 C ATOM 75 O TYR A 14 13.371 -6.850 9.941 1.00 0.00 O ATOM 76 CB TYR A 14 13.602 -9.760 9.607 1.00 0.00 C ATOM 77 CG TYR A 14 13.668 -11.272 9.858 1.00 0.00 C ATOM 78 CD1 TYR A 14 12.848 -11.883 10.813 1.00 0.00 C ATOM 79 CD2 TYR A 14 14.558 -12.084 9.153 1.00 0.00 C ATOM 80 CE1 TYR A 14 12.912 -13.241 11.040 1.00 0.00 C ATOM 81 CE2 TYR A 14 14.619 -13.439 9.379 1.00 0.00 C ATOM 82 CZ TYR A 14 13.797 -14.013 10.320 1.00 0.00 C ATOM 83 OH TYR A 14 13.852 -15.368 10.534 1.00 0.00 O ATOM 0 H TYR A 14 12.666 -9.237 11.912 1.00 0.00 H new ATOM 0 HA TYR A 14 15.354 -9.314 10.748 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.558 -9.450 9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 14 14.036 -9.541 8.631 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.154 -11.281 11.381 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.211 -11.640 8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.271 -13.698 11.779 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.311 -14.051 8.819 1.00 0.00 H new ATOM 0 HH TYR A 14 14.527 -15.765 9.945 1.00 0.00 H new ATOM 93 N ILE A 15 15.577 -6.866 10.455 1.00 0.00 N ATOM 94 CA ILE A 15 15.806 -5.432 10.279 1.00 0.00 C ATOM 95 C ILE A 15 16.644 -5.226 9.018 1.00 0.00 C ATOM 96 O ILE A 15 17.633 -5.935 8.812 1.00 0.00 O ATOM 97 CB ILE A 15 16.545 -4.794 11.521 1.00 0.00 C ATOM 98 CG1 ILE A 15 15.865 -5.210 12.850 1.00 0.00 C ATOM 99 CG2 ILE A 15 16.642 -3.249 11.393 1.00 0.00 C ATOM 100 CD1 ILE A 15 14.425 -4.820 12.962 1.00 0.00 C ATOM 0 H ILE A 15 16.422 -7.383 10.699 1.00 0.00 H new ATOM 0 HA ILE A 15 14.840 -4.936 10.188 1.00 0.00 H new ATOM 0 HB ILE A 15 17.563 -5.183 11.534 1.00 0.00 H new ATOM 0 HG12 ILE A 15 15.944 -6.291 12.960 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.414 -4.764 13.679 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.156 -2.843 12.264 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.199 -2.993 10.492 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.640 -2.825 11.333 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.032 -5.151 13.923 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.335 -3.736 12.887 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.858 -5.288 12.157 1.00 0.00 H new ATOM 112 N CYS A 16 16.217 -4.277 8.180 1.00 0.00 N ATOM 113 CA CYS A 16 16.946 -3.862 6.973 1.00 0.00 C ATOM 114 C CYS A 16 18.386 -3.444 7.319 1.00 0.00 C ATOM 115 O CYS A 16 19.332 -4.002 6.756 1.00 0.00 O ATOM 116 CB CYS A 16 16.167 -2.715 6.294 1.00 0.00 C ATOM 117 SG CYS A 16 16.864 -2.137 4.728 1.00 0.00 S ATOM 0 H CYS A 16 15.345 -3.768 8.321 1.00 0.00 H new ATOM 0 HA CYS A 16 17.020 -4.700 6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.143 -3.046 6.118 1.00 0.00 H new ATOM 0 HB3 CYS A 16 16.116 -1.873 6.984 1.00 0.00 H new ATOM 0 HG CYS A 16 16.004 -1.369 4.127 1.00 0.00 H new ATOM 122 N GLU A 17 18.512 -2.509 8.298 1.00 0.00 N ATOM 123 CA GLU A 17 19.804 -2.001 8.830 1.00 0.00 C ATOM 124 C GLU A 17 19.517 -0.815 9.782 1.00 0.00 C ATOM 125 O GLU A 17 19.941 -0.817 10.939 1.00 0.00 O ATOM 126 CB GLU A 17 20.785 -1.580 7.672 1.00 0.00 C ATOM 127 CG GLU A 17 22.202 -1.091 8.085 1.00 0.00 C ATOM 128 CD GLU A 17 22.303 0.431 8.335 1.00 0.00 C ATOM 129 OE1 GLU A 17 22.095 1.207 7.373 1.00 0.00 O ATOM 130 OE2 GLU A 17 22.591 0.854 9.477 1.00 0.00 O ATOM 0 H GLU A 17 17.703 -2.080 8.747 1.00 0.00 H new ATOM 0 HA GLU A 17 20.302 -2.799 9.381 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.903 -2.432 7.003 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.308 -0.787 7.097 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.505 -1.617 8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.910 -1.367 7.304 1.00 0.00 H new ATOM 137 N TYR A 18 18.772 0.175 9.259 1.00 0.00 N ATOM 138 CA TYR A 18 18.463 1.443 9.960 1.00 0.00 C ATOM 139 C TYR A 18 17.012 1.807 9.650 1.00 0.00 C ATOM 140 O TYR A 18 16.218 2.153 10.521 1.00 0.00 O ATOM 141 CB TYR A 18 19.419 2.584 9.523 1.00 0.00 C ATOM 142 CG TYR A 18 19.350 3.809 10.449 1.00 0.00 C ATOM 143 CD1 TYR A 18 19.536 3.660 11.821 1.00 0.00 C ATOM 144 CD2 TYR A 18 19.073 5.089 9.971 1.00 0.00 C ATOM 145 CE1 TYR A 18 19.457 4.733 12.678 1.00 0.00 C ATOM 146 CE2 TYR A 18 18.990 6.173 10.827 1.00 0.00 C ATOM 147 CZ TYR A 18 19.180 5.993 12.182 1.00 0.00 C ATOM 148 OH TYR A 18 19.110 7.075 13.043 1.00 0.00 O ATOM 0 H TYR A 18 18.361 0.121 8.327 1.00 0.00 H new ATOM 0 HA TYR A 18 18.603 1.311 11.033 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.442 2.207 9.503 1.00 0.00 H new ATOM 0 HB3 TYR A 18 19.172 2.889 8.506 1.00 0.00 H new ATOM 0 HD1 TYR A 18 19.747 2.679 12.221 1.00 0.00 H new ATOM 0 HD2 TYR A 18 18.920 5.237 8.912 1.00 0.00 H new ATOM 0 HE1 TYR A 18 19.611 4.591 13.737 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.777 7.157 10.436 1.00 0.00 H new ATOM 0 HH TYR A 18 18.908 7.887 12.533 1.00 0.00 H new ATOM 158 N CYS A 19 16.693 1.683 8.353 1.00 0.00 N ATOM 159 CA CYS A 19 15.357 1.944 7.801 1.00 0.00 C ATOM 160 C CYS A 19 14.507 0.664 7.873 1.00 0.00 C ATOM 161 O CYS A 19 14.198 0.029 6.857 1.00 0.00 O ATOM 162 CB CYS A 19 15.470 2.499 6.360 1.00 0.00 C ATOM 163 SG CYS A 19 16.724 1.662 5.348 1.00 0.00 S ATOM 0 H CYS A 19 17.369 1.393 7.646 1.00 0.00 H new ATOM 0 HA CYS A 19 14.854 2.706 8.396 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.501 2.409 5.869 1.00 0.00 H new ATOM 0 HB3 CYS A 19 15.706 3.562 6.408 1.00 0.00 H new ATOM 0 HG CYS A 19 16.478 0.386 5.320 1.00 0.00 H new ATOM 168 N ALA A 20 14.246 0.242 9.118 1.00 0.00 N ATOM 169 CA ALA A 20 13.242 -0.777 9.445 1.00 0.00 C ATOM 170 C ALA A 20 12.788 -0.655 10.905 1.00 0.00 C ATOM 171 O ALA A 20 13.613 -0.475 11.806 1.00 0.00 O ATOM 172 CB ALA A 20 13.764 -2.195 9.179 1.00 0.00 C ATOM 0 H ALA A 20 14.734 0.605 9.937 1.00 0.00 H new ATOM 0 HA ALA A 20 12.387 -0.601 8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.992 -2.921 9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.023 -2.296 8.125 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.649 -2.378 9.789 1.00 0.00 H new ATOM 178 N ARG A 21 11.464 -0.714 11.109 1.00 0.00 N ATOM 179 CA ARG A 21 10.872 -0.907 12.441 1.00 0.00 C ATOM 180 C ARG A 21 11.190 -2.343 12.930 1.00 0.00 C ATOM 181 O ARG A 21 12.142 -2.524 13.702 1.00 0.00 O ATOM 182 CB ARG A 21 9.337 -0.572 12.433 1.00 0.00 C ATOM 183 CG ARG A 21 8.558 -0.941 11.141 1.00 0.00 C ATOM 184 CD ARG A 21 7.049 -0.615 11.234 1.00 0.00 C ATOM 185 NE ARG A 21 6.802 0.742 11.767 1.00 0.00 N ATOM 186 CZ ARG A 21 6.164 1.745 11.134 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.751 1.618 9.873 1.00 0.00 N ATOM 188 NH2 ARG A 21 5.992 2.891 11.762 1.00 0.00 N ATOM 0 H ARG A 21 10.777 -0.630 10.360 1.00 0.00 H new ATOM 0 HA ARG A 21 11.314 -0.211 13.154 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.870 -1.087 13.273 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.219 0.497 12.610 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.989 -0.403 10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.683 -2.005 10.939 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.599 -0.703 10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.559 -1.349 11.874 1.00 0.00 H new ATOM 0 HE ARG A 21 7.149 0.938 12.706 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.916 0.748 9.367 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.270 2.391 9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.340 3.008 12.714 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.511 3.660 11.296 1.00 0.00 H new ATOM 202 N ALA A 22 10.416 -3.339 12.473 1.00 0.00 N ATOM 203 CA ALA A 22 10.770 -4.761 12.582 1.00 0.00 C ATOM 204 C ALA A 22 9.849 -5.573 11.675 1.00 0.00 C ATOM 205 O ALA A 22 8.623 -5.473 11.786 1.00 0.00 O ATOM 206 CB ALA A 22 10.670 -5.256 14.038 1.00 0.00 C ATOM 0 H ALA A 22 9.520 -3.178 12.014 1.00 0.00 H new ATOM 0 HA ALA A 22 11.805 -4.891 12.267 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.938 -6.311 14.083 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.351 -4.681 14.665 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.649 -5.126 14.397 1.00 0.00 H new ATOM 212 N PHE A 23 10.442 -6.360 10.778 1.00 0.00 N ATOM 213 CA PHE A 23 9.710 -7.220 9.841 1.00 0.00 C ATOM 214 C PHE A 23 9.753 -8.668 10.339 1.00 0.00 C ATOM 215 O PHE A 23 10.708 -9.067 11.017 1.00 0.00 O ATOM 216 CB PHE A 23 10.327 -7.110 8.428 1.00 0.00 C ATOM 217 CG PHE A 23 10.158 -5.734 7.764 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.020 -5.441 7.016 1.00 0.00 C ATOM 219 CD2 PHE A 23 11.140 -4.746 7.862 1.00 0.00 C ATOM 220 CE1 PHE A 23 8.867 -4.220 6.387 1.00 0.00 C ATOM 221 CE2 PHE A 23 10.984 -3.520 7.234 1.00 0.00 C ATOM 222 CZ PHE A 23 9.848 -3.259 6.498 1.00 0.00 C ATOM 0 H PHE A 23 11.455 -6.421 10.678 1.00 0.00 H new ATOM 0 HA PHE A 23 8.671 -6.897 9.785 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.390 -7.341 8.491 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.874 -7.867 7.787 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.241 -6.184 6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.034 -4.940 8.436 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.978 -4.019 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.754 -2.768 7.322 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.727 -2.303 6.010 1.00 0.00 H new ATOM 232 N LYS A 24 8.711 -9.444 10.011 1.00 0.00 N ATOM 233 CA LYS A 24 8.612 -10.860 10.409 1.00 0.00 C ATOM 234 C LYS A 24 9.519 -11.768 9.557 1.00 0.00 C ATOM 235 O LYS A 24 9.792 -12.908 9.945 1.00 0.00 O ATOM 236 CB LYS A 24 7.145 -11.348 10.308 1.00 0.00 C ATOM 237 CG LYS A 24 6.543 -11.360 8.873 1.00 0.00 C ATOM 238 CD LYS A 24 5.144 -12.025 8.800 1.00 0.00 C ATOM 239 CE LYS A 24 5.165 -13.494 9.267 1.00 0.00 C ATOM 240 NZ LYS A 24 3.845 -14.149 9.137 1.00 0.00 N ATOM 0 H LYS A 24 7.916 -9.113 9.465 1.00 0.00 H new ATOM 0 HA LYS A 24 8.951 -10.925 11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.087 -12.357 10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.524 -10.712 10.939 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.470 -10.335 8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.224 -11.888 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.444 -11.461 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.776 -11.978 7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.900 -14.047 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.487 -13.536 10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.913 -15.134 9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.146 -13.640 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.547 -14.134 8.141 1.00 0.00 H new ATOM 254 N SER A 25 9.975 -11.267 8.393 1.00 0.00 N ATOM 255 CA SER A 25 10.749 -12.061 7.426 1.00 0.00 C ATOM 256 C SER A 25 11.778 -11.177 6.695 1.00 0.00 C ATOM 257 O SER A 25 11.582 -9.964 6.539 1.00 0.00 O ATOM 258 CB SER A 25 9.795 -12.741 6.402 1.00 0.00 C ATOM 259 OG SER A 25 10.514 -13.431 5.385 1.00 0.00 O ATOM 0 H SER A 25 9.817 -10.303 8.099 1.00 0.00 H new ATOM 0 HA SER A 25 11.289 -12.836 7.970 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.142 -13.441 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.154 -11.986 5.946 1.00 0.00 H new ATOM 0 HG SER A 25 9.882 -13.846 4.762 1.00 0.00 H new ATOM 265 N SER A 26 12.891 -11.817 6.300 1.00 0.00 N ATOM 266 CA SER A 26 13.908 -11.230 5.409 1.00 0.00 C ATOM 267 C SER A 26 13.297 -10.817 4.050 1.00 0.00 C ATOM 268 O SER A 26 13.714 -9.835 3.447 1.00 0.00 O ATOM 269 CB SER A 26 15.057 -12.237 5.202 1.00 0.00 C ATOM 270 OG SER A 26 14.576 -13.466 4.678 1.00 0.00 O ATOM 0 H SER A 26 13.113 -12.768 6.594 1.00 0.00 H new ATOM 0 HA SER A 26 14.299 -10.328 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 26 15.797 -11.814 4.522 1.00 0.00 H new ATOM 0 HB3 SER A 26 15.562 -12.416 6.151 1.00 0.00 H new ATOM 0 HG SER A 26 15.326 -14.085 4.555 1.00 0.00 H new ATOM 276 N HIS A 27 12.311 -11.596 3.590 1.00 0.00 N ATOM 277 CA HIS A 27 11.569 -11.329 2.343 1.00 0.00 C ATOM 278 C HIS A 27 10.589 -10.157 2.526 1.00 0.00 C ATOM 279 O HIS A 27 10.369 -9.378 1.595 1.00 0.00 O ATOM 280 CB HIS A 27 10.866 -12.615 1.847 1.00 0.00 C ATOM 281 CG HIS A 27 11.856 -13.663 1.404 1.00 0.00 C ATOM 282 ND1 HIS A 27 12.126 -13.915 0.080 1.00 0.00 N ATOM 283 CD2 HIS A 27 12.687 -14.468 2.111 1.00 0.00 C ATOM 284 CE1 HIS A 27 13.074 -14.820 -0.013 1.00 0.00 C ATOM 285 NE2 HIS A 27 13.439 -15.173 1.204 1.00 0.00 N ATOM 0 H HIS A 27 12.000 -12.438 4.074 1.00 0.00 H new ATOM 0 HA HIS A 27 12.276 -11.028 1.570 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.243 -13.019 2.645 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.202 -12.369 1.018 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.746 -14.541 3.187 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.485 -15.210 -0.932 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.160 -15.857 1.434 1.00 0.00 H new ATOM 294 N ASN A 28 10.002 -10.058 3.731 1.00 0.00 N ATOM 295 CA ASN A 28 9.119 -8.932 4.125 1.00 0.00 C ATOM 296 C ASN A 28 9.905 -7.597 4.060 1.00 0.00 C ATOM 297 O ASN A 28 9.414 -6.600 3.529 1.00 0.00 O ATOM 298 CB ASN A 28 8.582 -9.143 5.573 1.00 0.00 C ATOM 299 CG ASN A 28 7.323 -8.331 5.968 1.00 0.00 C ATOM 300 OD1 ASN A 28 6.673 -8.659 6.961 1.00 0.00 O ATOM 301 ND2 ASN A 28 6.944 -7.299 5.214 1.00 0.00 N ATOM 0 H ASN A 28 10.123 -10.755 4.465 1.00 0.00 H new ATOM 0 HA ASN A 28 8.277 -8.895 3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.360 -10.202 5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.381 -8.896 6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.106 -6.770 5.457 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.492 -7.038 4.394 1.00 0.00 H new ATOM 308 N LEU A 29 11.114 -7.597 4.663 1.00 0.00 N ATOM 309 CA LEU A 29 12.029 -6.434 4.649 1.00 0.00 C ATOM 310 C LEU A 29 12.536 -6.164 3.230 1.00 0.00 C ATOM 311 O LEU A 29 12.733 -5.004 2.855 1.00 0.00 O ATOM 312 CB LEU A 29 13.187 -6.634 5.706 1.00 0.00 C ATOM 313 CG LEU A 29 14.550 -7.315 5.288 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.522 -6.375 4.524 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.261 -7.925 6.519 1.00 0.00 C ATOM 0 H LEU A 29 11.482 -8.401 5.172 1.00 0.00 H new ATOM 0 HA LEU A 29 11.487 -5.538 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.430 -5.650 6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.774 -7.220 6.527 1.00 0.00 H new ATOM 0 HG LEU A 29 14.276 -8.105 4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.433 -6.919 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.045 -6.025 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.771 -5.520 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.197 -8.388 6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.470 -7.139 7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 29 14.618 -8.678 6.974 1.00 0.00 H new ATOM 327 N ALA A 30 12.739 -7.256 2.463 1.00 0.00 N ATOM 328 CA ALA A 30 13.202 -7.196 1.051 1.00 0.00 C ATOM 329 C ALA A 30 12.237 -6.380 0.163 1.00 0.00 C ATOM 330 O ALA A 30 12.671 -5.726 -0.795 1.00 0.00 O ATOM 331 CB ALA A 30 13.406 -8.601 0.464 1.00 0.00 C ATOM 0 H ALA A 30 12.588 -8.207 2.801 1.00 0.00 H new ATOM 0 HA ALA A 30 14.165 -6.685 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.744 -8.518 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.155 -9.135 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.464 -9.148 0.494 1.00 0.00 H new ATOM 337 N VAL A 31 10.937 -6.416 0.519 1.00 0.00 N ATOM 338 CA VAL A 31 9.873 -5.620 -0.134 1.00 0.00 C ATOM 339 C VAL A 31 10.193 -4.108 -0.092 1.00 0.00 C ATOM 340 O VAL A 31 10.144 -3.422 -1.123 1.00 0.00 O ATOM 341 CB VAL A 31 8.482 -5.909 0.555 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.408 -4.857 0.197 1.00 0.00 C ATOM 343 CG2 VAL A 31 7.997 -7.344 0.229 1.00 0.00 C ATOM 0 H VAL A 31 10.590 -7.005 1.276 1.00 0.00 H new ATOM 0 HA VAL A 31 9.821 -5.918 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 31 8.638 -5.833 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.473 -5.106 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.742 -3.871 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.251 -4.850 -0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.037 -7.522 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.885 -7.454 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.727 -8.066 0.594 1.00 0.00 H new ATOM 353 N HIS A 32 10.535 -3.607 1.109 1.00 0.00 N ATOM 354 CA HIS A 32 10.906 -2.200 1.318 1.00 0.00 C ATOM 355 C HIS A 32 12.310 -1.945 0.737 1.00 0.00 C ATOM 356 O HIS A 32 12.601 -0.866 0.202 1.00 0.00 O ATOM 357 CB HIS A 32 10.811 -1.845 2.857 1.00 0.00 C ATOM 358 CG HIS A 32 11.936 -0.991 3.374 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.903 0.376 3.462 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.186 -1.362 3.738 1.00 0.00 C ATOM 361 CE1 HIS A 32 13.115 0.791 3.842 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.944 -0.224 4.020 1.00 0.00 N ATOM 0 H HIS A 32 10.561 -4.168 1.960 1.00 0.00 H new ATOM 0 HA HIS A 32 10.213 -1.543 0.793 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.868 -1.330 3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.784 -2.772 3.429 1.00 0.00 H new ATOM 0 HD1 HIS A 32 11.097 0.971 3.271 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.542 -2.380 3.801 1.00 0.00 H new ATOM 0 HE1 HIS A 32 13.384 1.827 3.986 1.00 0.00 H new ATOM 370 N ARG A 33 13.162 -2.980 0.857 1.00 0.00 N ATOM 371 CA ARG A 33 14.582 -2.946 0.467 1.00 0.00 C ATOM 372 C ARG A 33 14.751 -2.726 -1.049 1.00 0.00 C ATOM 373 O ARG A 33 15.858 -2.475 -1.481 1.00 0.00 O ATOM 374 CB ARG A 33 15.264 -4.271 0.918 1.00 0.00 C ATOM 375 CG ARG A 33 16.809 -4.278 0.941 1.00 0.00 C ATOM 376 CD ARG A 33 17.396 -5.672 1.243 1.00 0.00 C ATOM 377 NE ARG A 33 18.865 -5.632 1.375 1.00 0.00 N ATOM 378 CZ ARG A 33 19.676 -6.708 1.384 1.00 0.00 C ATOM 379 NH1 ARG A 33 19.193 -7.927 1.177 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.982 -6.541 1.578 1.00 0.00 N ATOM 0 H ARG A 33 12.875 -3.882 1.236 1.00 0.00 H new ATOM 0 HA ARG A 33 15.062 -2.102 0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.907 -4.515 1.918 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.929 -5.070 0.256 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.184 -3.932 -0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 33 17.160 -3.571 1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.959 -6.059 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.122 -6.362 0.445 1.00 0.00 H new ATOM 0 HE ARG A 33 19.302 -4.715 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.196 -8.059 1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.819 -8.732 1.187 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.361 -5.605 1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.604 -7.349 1.586 1.00 0.00 H new ATOM 394 N MET A 34 13.624 -2.760 -1.817 1.00 0.00 N ATOM 395 CA MET A 34 13.566 -2.558 -3.309 1.00 0.00 C ATOM 396 C MET A 34 14.431 -1.368 -3.868 1.00 0.00 C ATOM 397 O MET A 34 14.697 -1.313 -5.076 1.00 0.00 O ATOM 398 CB MET A 34 12.085 -2.340 -3.734 1.00 0.00 C ATOM 399 CG MET A 34 11.420 -1.087 -3.115 1.00 0.00 C ATOM 400 SD MET A 34 9.791 -0.715 -3.824 1.00 0.00 S ATOM 401 CE MET A 34 10.229 -0.368 -5.524 1.00 0.00 C ATOM 0 H MET A 34 12.704 -2.932 -1.412 1.00 0.00 H new ATOM 0 HA MET A 34 13.997 -3.462 -3.738 1.00 0.00 H new ATOM 0 HB2 MET A 34 12.039 -2.261 -4.820 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.506 -3.220 -3.453 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.316 -1.233 -2.040 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.076 -0.228 -3.258 1.00 0.00 H new ATOM 0 HE1 MET A 34 9.457 0.252 -5.979 1.00 0.00 H new ATOM 0 HE2 MET A 34 11.182 0.159 -5.554 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.315 -1.304 -6.076 1.00 0.00 H new ATOM 411 N ILE A 35 14.872 -0.470 -2.969 1.00 0.00 N ATOM 412 CA ILE A 35 15.757 0.651 -3.282 1.00 0.00 C ATOM 413 C ILE A 35 17.251 0.175 -3.240 1.00 0.00 C ATOM 414 O ILE A 35 18.010 0.397 -4.191 1.00 0.00 O ATOM 415 CB ILE A 35 15.464 1.874 -2.312 1.00 0.00 C ATOM 416 CG1 ILE A 35 16.615 2.923 -2.331 1.00 0.00 C ATOM 417 CG2 ILE A 35 15.135 1.421 -0.865 1.00 0.00 C ATOM 418 CD1 ILE A 35 16.839 3.637 -3.663 1.00 0.00 C ATOM 0 H ILE A 35 14.613 -0.510 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 35 15.564 1.008 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 35 14.570 2.362 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 35 16.410 3.673 -1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 35 17.541 2.424 -2.047 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.943 2.296 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.251 0.783 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 35 15.979 0.865 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.663 4.344 -3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 35 17.081 2.904 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.933 4.173 -3.945 1.00 0.00 H new ATOM 430 N HIS A 36 17.643 -0.502 -2.139 1.00 0.00 N ATOM 431 CA HIS A 36 19.035 -1.002 -1.886 1.00 0.00 C ATOM 432 C HIS A 36 19.171 -2.536 -2.143 1.00 0.00 C ATOM 433 O HIS A 36 20.212 -3.121 -1.831 1.00 0.00 O ATOM 434 CB HIS A 36 19.530 -0.634 -0.423 1.00 0.00 C ATOM 435 CG HIS A 36 18.499 -0.079 0.542 1.00 0.00 C ATOM 436 ND1 HIS A 36 17.540 -0.687 1.302 1.00 0.00 N flip ATOM 437 CD2 HIS A 36 18.430 1.252 0.866 1.00 0.00 C flip ATOM 438 CE1 HIS A 36 16.888 0.266 2.088 1.00 0.00 C flip ATOM 439 NE2 HIS A 36 17.475 1.407 1.779 1.00 0.00 N flip ATOM 0 H HIS A 36 16.999 -0.726 -1.381 1.00 0.00 H new ATOM 0 HA HIS A 36 19.679 -0.493 -2.603 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.961 -1.531 0.023 1.00 0.00 H new ATOM 0 HB3 HIS A 36 20.335 0.096 -0.513 1.00 0.00 H new ATOM 0 HD2 HIS A 36 19.044 2.038 0.452 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.084 0.105 2.791 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.225 2.305 2.193 1.00 0.00 H new ATOM 447 N THR A 37 18.140 -3.154 -2.748 1.00 0.00 N ATOM 448 CA THR A 37 17.831 -4.603 -2.614 1.00 0.00 C ATOM 449 C THR A 37 18.982 -5.584 -2.992 1.00 0.00 C ATOM 450 O THR A 37 19.503 -6.271 -2.097 1.00 0.00 O ATOM 451 CB THR A 37 16.486 -4.935 -3.380 1.00 0.00 C ATOM 452 OG1 THR A 37 16.163 -6.315 -3.269 1.00 0.00 O ATOM 453 CG2 THR A 37 16.490 -4.506 -4.867 1.00 0.00 C ATOM 0 H THR A 37 17.485 -2.660 -3.354 1.00 0.00 H new ATOM 0 HA THR A 37 17.705 -4.780 -1.546 1.00 0.00 H new ATOM 0 HB THR A 37 15.716 -4.339 -2.889 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.883 -6.513 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.535 -4.767 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.642 -3.429 -4.935 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.295 -5.020 -5.392 1.00 0.00 H new ATOM 461 N GLY A 38 19.371 -5.657 -4.278 1.00 0.00 N ATOM 462 CA GLY A 38 20.402 -6.612 -4.720 1.00 0.00 C ATOM 463 C GLY A 38 19.913 -8.063 -4.670 1.00 0.00 C ATOM 464 O GLY A 38 20.678 -8.974 -4.355 1.00 0.00 O ATOM 0 H GLY A 38 18.991 -5.072 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.706 -6.369 -5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.285 -6.507 -4.090 1.00 0.00 H new ATOM 468 N GLU A 39 18.623 -8.242 -5.003 1.00 0.00 N ATOM 469 CA GLU A 39 17.891 -9.531 -4.936 1.00 0.00 C ATOM 470 C GLU A 39 16.530 -9.350 -5.645 1.00 0.00 C ATOM 471 O GLU A 39 15.974 -10.302 -6.202 1.00 0.00 O ATOM 472 CB GLU A 39 17.704 -10.048 -3.470 1.00 0.00 C ATOM 473 CG GLU A 39 16.741 -9.224 -2.595 1.00 0.00 C ATOM 474 CD GLU A 39 16.578 -9.768 -1.168 1.00 0.00 C ATOM 475 OE1 GLU A 39 16.094 -10.914 -1.016 1.00 0.00 O ATOM 476 OE2 GLU A 39 16.904 -9.050 -0.195 1.00 0.00 O ATOM 0 H GLU A 39 18.039 -7.475 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 39 18.482 -10.296 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.343 -11.076 -3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.679 -10.071 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 39 17.102 -8.197 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.763 -9.195 -3.076 1.00 0.00 H new ATOM 483 N LYS A 40 16.017 -8.100 -5.581 1.00 0.00 N ATOM 484 CA LYS A 40 14.931 -7.583 -6.434 1.00 0.00 C ATOM 485 C LYS A 40 13.567 -8.270 -6.183 1.00 0.00 C ATOM 486 O LYS A 40 13.325 -9.376 -6.686 1.00 0.00 O ATOM 487 CB LYS A 40 15.326 -7.676 -7.936 1.00 0.00 C ATOM 488 CG LYS A 40 16.605 -6.899 -8.316 1.00 0.00 C ATOM 489 CD LYS A 40 17.064 -7.195 -9.759 1.00 0.00 C ATOM 490 CE LYS A 40 17.405 -8.677 -9.973 1.00 0.00 C ATOM 491 NZ LYS A 40 17.861 -8.950 -11.351 1.00 0.00 N ATOM 0 H LYS A 40 16.359 -7.407 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 40 14.797 -6.537 -6.159 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.464 -8.725 -8.197 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.498 -7.303 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.423 -5.830 -8.207 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.405 -7.159 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.278 -6.902 -10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.938 -6.587 -9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.182 -8.975 -9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.527 -9.285 -9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.080 -9.962 -11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.111 -8.691 -12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.714 -8.390 -11.552 1.00 0.00 H new ATOM 505 N PRO A 41 12.662 -7.650 -5.369 1.00 0.00 N ATOM 506 CA PRO A 41 11.223 -7.986 -5.395 1.00 0.00 C ATOM 507 C PRO A 41 10.541 -7.307 -6.609 1.00 0.00 C ATOM 508 O PRO A 41 11.100 -6.388 -7.211 1.00 0.00 O ATOM 509 CB PRO A 41 10.718 -7.424 -4.047 1.00 0.00 C ATOM 510 CG PRO A 41 11.591 -6.227 -3.808 1.00 0.00 C ATOM 511 CD PRO A 41 12.962 -6.611 -4.337 1.00 0.00 C ATOM 0 HA PRO A 41 11.010 -9.049 -5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.665 -7.147 -4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.816 -8.157 -3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.203 -5.349 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.635 -5.979 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.479 -5.754 -4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.601 -7.004 -3.546 1.00 0.00 H new ATOM 519 N LEU A 42 9.339 -7.761 -6.954 1.00 0.00 N ATOM 520 CA LEU A 42 8.585 -7.266 -8.117 1.00 0.00 C ATOM 521 C LEU A 42 7.468 -6.339 -7.634 1.00 0.00 C ATOM 522 O LEU A 42 6.616 -6.770 -6.868 1.00 0.00 O ATOM 523 CB LEU A 42 8.000 -8.475 -8.880 1.00 0.00 C ATOM 524 CG LEU A 42 9.046 -9.522 -9.383 1.00 0.00 C ATOM 525 CD1 LEU A 42 8.348 -10.737 -10.023 1.00 0.00 C ATOM 526 CD2 LEU A 42 10.069 -8.877 -10.355 1.00 0.00 C ATOM 0 H LEU A 42 8.851 -8.490 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 42 9.237 -6.705 -8.786 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.287 -8.983 -8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.440 -8.105 -9.739 1.00 0.00 H new ATOM 0 HG LEU A 42 9.603 -9.879 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.099 -11.450 -10.364 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.702 -11.215 -9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.749 -10.407 -10.872 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.782 -9.632 -10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.543 -8.470 -11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.601 -8.075 -9.844 1.00 0.00 H new ATOM 538 N GLN A 43 7.458 -5.082 -8.086 1.00 0.00 N ATOM 539 CA GLN A 43 6.512 -4.059 -7.603 1.00 0.00 C ATOM 540 C GLN A 43 5.498 -3.739 -8.716 1.00 0.00 C ATOM 541 O GLN A 43 5.852 -3.727 -9.903 1.00 0.00 O ATOM 542 CB GLN A 43 7.299 -2.775 -7.144 1.00 0.00 C ATOM 543 CG GLN A 43 6.969 -2.279 -5.714 1.00 0.00 C ATOM 544 CD GLN A 43 5.686 -1.461 -5.586 1.00 0.00 C ATOM 545 OE1 GLN A 43 4.754 -1.585 -6.374 1.00 0.00 O ATOM 546 NE2 GLN A 43 5.615 -0.639 -4.559 1.00 0.00 N ATOM 0 H GLN A 43 8.104 -4.740 -8.797 1.00 0.00 H new ATOM 0 HA GLN A 43 5.963 -4.434 -6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.368 -2.982 -7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.092 -1.969 -7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.896 -3.144 -5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.803 -1.675 -5.355 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.404 -0.554 -3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.771 -0.087 -4.405 1.00 0.00 H new ATOM 555 N CYS A 44 4.244 -3.491 -8.314 1.00 0.00 N ATOM 556 CA CYS A 44 3.161 -3.099 -9.221 1.00 0.00 C ATOM 557 C CYS A 44 3.421 -1.684 -9.740 1.00 0.00 C ATOM 558 O CYS A 44 3.305 -0.709 -8.986 1.00 0.00 O ATOM 559 CB CYS A 44 1.782 -3.148 -8.524 1.00 0.00 C ATOM 560 SG CYS A 44 0.420 -2.399 -9.488 1.00 0.00 S ATOM 0 H CYS A 44 3.952 -3.558 -7.339 1.00 0.00 H new ATOM 0 HA CYS A 44 3.142 -3.808 -10.048 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.532 -4.188 -8.313 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.855 -2.637 -7.564 1.00 0.00 H new ATOM 0 HG CYS A 44 -0.491 -3.296 -9.721 1.00 0.00 H new ATOM 565 N GLU A 45 3.757 -1.578 -11.027 1.00 0.00 N ATOM 566 CA GLU A 45 4.084 -0.301 -11.686 1.00 0.00 C ATOM 567 C GLU A 45 2.802 0.365 -12.239 1.00 0.00 C ATOM 568 O GLU A 45 2.800 0.970 -13.320 1.00 0.00 O ATOM 569 CB GLU A 45 5.126 -0.579 -12.801 1.00 0.00 C ATOM 570 CG GLU A 45 6.458 -1.177 -12.281 1.00 0.00 C ATOM 571 CD GLU A 45 7.404 -1.633 -13.408 1.00 0.00 C ATOM 572 OE1 GLU A 45 7.159 -2.716 -13.990 1.00 0.00 O ATOM 573 OE2 GLU A 45 8.382 -0.920 -13.724 1.00 0.00 O ATOM 0 H GLU A 45 3.812 -2.382 -11.652 1.00 0.00 H new ATOM 0 HA GLU A 45 4.515 0.399 -10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.691 -1.264 -13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.338 0.352 -13.327 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.967 -0.433 -11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.239 -2.027 -11.635 1.00 0.00 H new ATOM 580 N ILE A 46 1.720 0.289 -11.441 1.00 0.00 N ATOM 581 CA ILE A 46 0.389 0.837 -11.767 1.00 0.00 C ATOM 582 C ILE A 46 -0.111 1.672 -10.547 1.00 0.00 C ATOM 583 O ILE A 46 -0.978 2.538 -10.686 1.00 0.00 O ATOM 584 CB ILE A 46 -0.676 -0.297 -12.101 1.00 0.00 C ATOM 585 CG1 ILE A 46 -0.251 -1.224 -13.315 1.00 0.00 C ATOM 586 CG2 ILE A 46 -2.084 0.314 -12.357 1.00 0.00 C ATOM 587 CD1 ILE A 46 0.698 -2.370 -12.976 1.00 0.00 C ATOM 0 H ILE A 46 1.748 -0.167 -10.529 1.00 0.00 H new ATOM 0 HA ILE A 46 0.488 1.455 -12.659 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.716 -0.935 -11.218 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.153 -1.644 -13.760 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.219 -0.601 -14.076 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.791 -0.484 -12.583 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.415 0.851 -11.468 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.034 1.003 -13.200 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.921 -2.937 -13.880 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.623 -1.967 -12.563 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.229 -3.026 -12.242 1.00 0.00 H new ATOM 599 N CYS A 47 0.580 1.521 -9.392 1.00 0.00 N ATOM 600 CA CYS A 47 0.113 1.999 -8.096 1.00 0.00 C ATOM 601 C CYS A 47 1.298 1.681 -7.172 1.00 0.00 C ATOM 602 O CYS A 47 2.419 2.123 -7.455 1.00 0.00 O ATOM 603 CB CYS A 47 -1.286 1.401 -7.657 1.00 0.00 C ATOM 604 SG CYS A 47 -1.308 -0.261 -6.889 1.00 0.00 S ATOM 0 H CYS A 47 1.487 1.056 -9.348 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.130 3.062 -8.084 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.742 2.099 -6.955 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.927 1.370 -8.538 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.663 -1.098 -7.647 1.00 0.00 H new ATOM 609 N GLY A 48 1.086 0.943 -6.108 1.00 0.00 N ATOM 610 CA GLY A 48 2.165 0.299 -5.364 1.00 0.00 C ATOM 611 C GLY A 48 1.627 -0.986 -4.738 1.00 0.00 C ATOM 612 O GLY A 48 0.537 -0.920 -4.158 1.00 0.00 O ATOM 0 H GLY A 48 0.158 0.766 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.001 0.075 -6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.542 0.968 -4.590 1.00 0.00 H new ATOM 616 N PHE A 49 2.335 -2.141 -4.805 1.00 0.00 N ATOM 617 CA PHE A 49 1.873 -3.441 -4.302 1.00 0.00 C ATOM 618 C PHE A 49 3.016 -4.371 -4.690 1.00 0.00 C ATOM 619 O PHE A 49 3.259 -4.559 -5.887 1.00 0.00 O ATOM 620 CB PHE A 49 0.547 -3.907 -4.967 1.00 0.00 C ATOM 621 CG PHE A 49 0.098 -5.335 -4.628 1.00 0.00 C ATOM 622 CD1 PHE A 49 0.636 -6.440 -5.301 1.00 0.00 C ATOM 623 CD2 PHE A 49 -0.868 -5.571 -3.662 1.00 0.00 C ATOM 624 CE1 PHE A 49 0.222 -7.722 -5.012 1.00 0.00 C ATOM 625 CE2 PHE A 49 -1.286 -6.856 -3.373 1.00 0.00 C ATOM 626 CZ PHE A 49 -0.743 -7.931 -4.044 1.00 0.00 C ATOM 0 H PHE A 49 3.265 -2.186 -5.222 1.00 0.00 H new ATOM 0 HA PHE A 49 1.652 -3.415 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.246 -3.218 -4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.657 -3.828 -6.049 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.389 -6.284 -6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.300 -4.738 -3.127 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.650 -8.561 -5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.041 -7.019 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.071 -8.934 -3.814 1.00 0.00 H new ATOM 636 N THR A 50 3.708 -4.961 -3.727 1.00 0.00 N ATOM 637 CA THR A 50 4.927 -5.706 -4.006 1.00 0.00 C ATOM 638 C THR A 50 4.681 -7.206 -3.781 1.00 0.00 C ATOM 639 O THR A 50 3.927 -7.609 -2.893 1.00 0.00 O ATOM 640 CB THR A 50 6.103 -5.225 -3.104 1.00 0.00 C ATOM 641 OG1 THR A 50 6.050 -3.796 -2.959 1.00 0.00 O ATOM 642 CG2 THR A 50 7.481 -5.617 -3.665 1.00 0.00 C ATOM 0 H THR A 50 3.445 -4.938 -2.742 1.00 0.00 H new ATOM 0 HA THR A 50 5.202 -5.529 -5.046 1.00 0.00 H new ATOM 0 HB THR A 50 5.984 -5.718 -2.139 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.871 -3.480 -2.528 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.262 -5.256 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.545 -6.702 -3.746 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.613 -5.171 -4.651 1.00 0.00 H new ATOM 650 N CYS A 51 5.353 -7.983 -4.595 1.00 0.00 N ATOM 651 CA CYS A 51 5.350 -9.441 -4.575 1.00 0.00 C ATOM 652 C CYS A 51 6.760 -9.922 -4.962 1.00 0.00 C ATOM 653 O CYS A 51 7.699 -9.121 -5.008 1.00 0.00 O ATOM 654 CB CYS A 51 4.274 -9.971 -5.551 1.00 0.00 C ATOM 655 SG CYS A 51 4.078 -11.759 -5.522 1.00 0.00 S ATOM 0 H CYS A 51 5.950 -7.604 -5.330 1.00 0.00 H new ATOM 0 HA CYS A 51 5.104 -9.822 -3.584 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.318 -9.507 -5.309 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.532 -9.660 -6.563 1.00 0.00 H new ATOM 0 HG CYS A 51 3.534 -12.118 -4.397 1.00 0.00 H new ATOM 661 N ARG A 52 6.918 -11.229 -5.183 1.00 0.00 N ATOM 662 CA ARG A 52 8.177 -11.832 -5.659 1.00 0.00 C ATOM 663 C ARG A 52 7.910 -12.797 -6.839 1.00 0.00 C ATOM 664 O ARG A 52 8.825 -13.129 -7.594 1.00 0.00 O ATOM 665 CB ARG A 52 8.858 -12.574 -4.484 1.00 0.00 C ATOM 666 CG ARG A 52 7.972 -13.649 -3.798 1.00 0.00 C ATOM 667 CD ARG A 52 8.719 -14.407 -2.685 1.00 0.00 C ATOM 668 NE ARG A 52 9.926 -15.082 -3.202 1.00 0.00 N ATOM 669 CZ ARG A 52 10.682 -15.952 -2.529 1.00 0.00 C ATOM 670 NH1 ARG A 52 10.393 -16.303 -1.288 1.00 0.00 N ATOM 671 NH2 ARG A 52 11.750 -16.471 -3.106 1.00 0.00 N ATOM 0 H ARG A 52 6.172 -11.909 -5.037 1.00 0.00 H new ATOM 0 HA ARG A 52 8.840 -11.046 -6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.767 -13.051 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.162 -11.841 -3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.087 -13.171 -3.377 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.624 -14.360 -4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.001 -13.710 -1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.053 -15.144 -2.236 1.00 0.00 H new ATOM 0 HE ARG A 52 10.207 -14.864 -4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.576 -15.907 -0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.987 -16.970 -0.795 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.993 -16.207 -4.061 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.332 -17.136 -2.597 1.00 0.00 H new ATOM 685 N GLN A 53 6.649 -13.248 -6.959 1.00 0.00 N ATOM 686 CA GLN A 53 6.200 -14.184 -8.007 1.00 0.00 C ATOM 687 C GLN A 53 5.448 -13.377 -9.091 1.00 0.00 C ATOM 688 O GLN A 53 4.496 -12.661 -8.772 1.00 0.00 O ATOM 689 CB GLN A 53 5.305 -15.279 -7.330 1.00 0.00 C ATOM 690 CG GLN A 53 5.077 -16.586 -8.130 1.00 0.00 C ATOM 691 CD GLN A 53 4.054 -16.465 -9.257 1.00 0.00 C ATOM 692 OE1 GLN A 53 4.400 -16.191 -10.404 1.00 0.00 O ATOM 693 NE2 GLN A 53 2.785 -16.643 -8.923 1.00 0.00 N ATOM 0 H GLN A 53 5.902 -12.969 -6.323 1.00 0.00 H new ATOM 0 HA GLN A 53 7.033 -14.691 -8.495 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.754 -15.541 -6.372 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.332 -14.838 -7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.028 -16.910 -8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.751 -17.367 -7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.538 -16.869 -7.960 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.054 -16.554 -9.629 1.00 0.00 H new ATOM 702 N LYS A 54 5.893 -13.508 -10.359 1.00 0.00 N ATOM 703 CA LYS A 54 5.407 -12.697 -11.512 1.00 0.00 C ATOM 704 C LYS A 54 3.869 -12.715 -11.666 1.00 0.00 C ATOM 705 O LYS A 54 3.229 -11.655 -11.687 1.00 0.00 O ATOM 706 CB LYS A 54 6.061 -13.187 -12.837 1.00 0.00 C ATOM 707 CG LYS A 54 7.594 -13.014 -12.902 1.00 0.00 C ATOM 708 CD LYS A 54 8.224 -13.610 -14.188 1.00 0.00 C ATOM 709 CE LYS A 54 7.706 -12.953 -15.479 1.00 0.00 C ATOM 710 NZ LYS A 54 8.014 -11.498 -15.541 1.00 0.00 N ATOM 0 H LYS A 54 6.608 -14.186 -10.621 1.00 0.00 H new ATOM 0 HA LYS A 54 5.701 -11.669 -11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.822 -14.241 -12.976 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.612 -12.646 -13.670 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.836 -11.953 -12.845 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.044 -13.490 -12.031 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.307 -13.497 -14.140 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.017 -14.679 -14.224 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.150 -13.452 -16.340 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.628 -13.096 -15.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.690 -11.113 -16.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.528 -11.007 -14.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.040 -11.356 -15.451 1.00 0.00 H new ATOM 724 N ALA A 55 3.298 -13.925 -11.781 1.00 0.00 N ATOM 725 CA ALA A 55 1.840 -14.117 -11.943 1.00 0.00 C ATOM 726 C ALA A 55 1.031 -13.406 -10.835 1.00 0.00 C ATOM 727 O ALA A 55 0.008 -12.801 -11.117 1.00 0.00 O ATOM 728 CB ALA A 55 1.494 -15.609 -11.994 1.00 0.00 C ATOM 0 H ALA A 55 3.828 -14.797 -11.765 1.00 0.00 H new ATOM 0 HA ALA A 55 1.558 -13.659 -12.891 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.417 -15.729 -12.113 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.006 -16.073 -12.837 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.812 -16.088 -11.068 1.00 0.00 H new ATOM 734 N SER A 56 1.543 -13.463 -9.599 1.00 0.00 N ATOM 735 CA SER A 56 0.872 -12.912 -8.404 1.00 0.00 C ATOM 736 C SER A 56 0.489 -11.405 -8.541 1.00 0.00 C ATOM 737 O SER A 56 -0.691 -11.060 -8.410 1.00 0.00 O ATOM 738 CB SER A 56 1.772 -13.143 -7.185 1.00 0.00 C ATOM 739 OG SER A 56 1.138 -12.771 -5.977 1.00 0.00 O ATOM 0 H SER A 56 2.443 -13.896 -9.393 1.00 0.00 H new ATOM 0 HA SER A 56 -0.075 -13.438 -8.283 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.054 -14.195 -7.137 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.693 -12.572 -7.301 1.00 0.00 H new ATOM 0 HG SER A 56 1.778 -12.301 -5.403 1.00 0.00 H new ATOM 745 N LEU A 57 1.473 -10.522 -8.843 1.00 0.00 N ATOM 746 CA LEU A 57 1.205 -9.077 -9.071 1.00 0.00 C ATOM 747 C LEU A 57 0.527 -8.852 -10.444 1.00 0.00 C ATOM 748 O LEU A 57 -0.187 -7.858 -10.641 1.00 0.00 O ATOM 749 CB LEU A 57 2.466 -8.165 -8.901 1.00 0.00 C ATOM 750 CG LEU A 57 3.667 -8.355 -9.892 1.00 0.00 C ATOM 751 CD1 LEU A 57 4.570 -7.104 -9.909 1.00 0.00 C ATOM 752 CD2 LEU A 57 4.510 -9.601 -9.555 1.00 0.00 C ATOM 0 H LEU A 57 2.455 -10.782 -8.934 1.00 0.00 H new ATOM 0 HA LEU A 57 0.516 -8.770 -8.284 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.137 -7.128 -8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.845 -8.309 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 57 3.235 -8.501 -10.882 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.395 -7.260 -10.604 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.988 -6.239 -10.227 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.966 -6.927 -8.909 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.329 -9.690 -10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.915 -9.505 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.883 -10.491 -9.610 1.00 0.00 H new ATOM 764 N ASN A 58 0.774 -9.777 -11.391 1.00 0.00 N ATOM 765 CA ASN A 58 0.045 -9.846 -12.682 1.00 0.00 C ATOM 766 C ASN A 58 -1.464 -10.128 -12.485 1.00 0.00 C ATOM 767 O ASN A 58 -2.288 -9.784 -13.336 1.00 0.00 O ATOM 768 CB ASN A 58 0.699 -10.925 -13.591 1.00 0.00 C ATOM 769 CG ASN A 58 -0.078 -11.257 -14.874 1.00 0.00 C ATOM 770 OD1 ASN A 58 0.102 -10.620 -15.906 1.00 0.00 O ATOM 771 ND2 ASN A 58 -0.955 -12.259 -14.804 1.00 0.00 N ATOM 0 H ASN A 58 1.485 -10.501 -11.287 1.00 0.00 H new ATOM 0 HA ASN A 58 0.119 -8.872 -13.166 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.698 -10.588 -13.867 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.821 -11.840 -13.012 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.502 -12.517 -15.626 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -1.079 -12.768 -13.929 1.00 0.00 H new ATOM 778 N TRP A 59 -1.827 -10.761 -11.365 1.00 0.00 N ATOM 779 CA TRP A 59 -3.244 -10.999 -11.026 1.00 0.00 C ATOM 780 C TRP A 59 -3.817 -9.744 -10.376 1.00 0.00 C ATOM 781 O TRP A 59 -4.973 -9.398 -10.596 1.00 0.00 O ATOM 782 CB TRP A 59 -3.445 -12.245 -10.127 1.00 0.00 C ATOM 783 CG TRP A 59 -3.011 -13.553 -10.769 1.00 0.00 C ATOM 784 CD1 TRP A 59 -2.239 -14.532 -10.202 1.00 0.00 C ATOM 785 CD2 TRP A 59 -3.317 -14.025 -12.104 1.00 0.00 C ATOM 786 NE1 TRP A 59 -2.036 -15.555 -11.086 1.00 0.00 N ATOM 787 CE2 TRP A 59 -2.693 -15.277 -12.253 1.00 0.00 C ATOM 788 CE3 TRP A 59 -4.062 -13.519 -13.189 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -2.772 -16.017 -13.432 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -4.142 -14.263 -14.352 1.00 0.00 C ATOM 791 CH2 TRP A 59 -3.505 -15.501 -14.462 1.00 0.00 C ATOM 0 H TRP A 59 -1.165 -11.119 -10.676 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.784 -11.213 -11.949 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.887 -12.105 -9.201 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.498 -12.318 -9.856 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.845 -14.500 -9.197 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.483 -16.392 -10.904 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.562 -12.565 -13.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.269 -16.968 -13.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -4.707 -13.880 -15.189 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -3.594 -16.062 -15.381 1.00 0.00 H new ATOM 802 N HIS A 60 -3.008 -9.092 -9.532 1.00 0.00 N ATOM 803 CA HIS A 60 -3.317 -7.766 -8.992 1.00 0.00 C ATOM 804 C HIS A 60 -3.527 -6.670 -10.086 1.00 0.00 C ATOM 805 O HIS A 60 -4.293 -5.725 -9.855 1.00 0.00 O ATOM 806 CB HIS A 60 -2.217 -7.379 -7.978 1.00 0.00 C ATOM 807 CG HIS A 60 -2.273 -5.964 -7.501 1.00 0.00 C ATOM 808 ND1 HIS A 60 -3.299 -5.405 -6.781 1.00 0.00 N ATOM 809 CD2 HIS A 60 -1.417 -4.975 -7.751 1.00 0.00 C ATOM 810 CE1 HIS A 60 -3.033 -4.097 -6.661 1.00 0.00 C ATOM 811 NE2 HIS A 60 -1.885 -3.783 -7.246 1.00 0.00 N ATOM 0 H HIS A 60 -2.119 -9.471 -9.205 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.281 -7.823 -8.487 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.289 -8.041 -7.115 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.243 -7.555 -8.435 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.482 -5.092 -8.279 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.672 -3.389 -6.153 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.447 -2.864 -7.308 1.00 0.00 H new ATOM 819 N MET A 61 -2.846 -6.757 -11.261 1.00 0.00 N ATOM 820 CA MET A 61 -3.129 -5.807 -12.379 1.00 0.00 C ATOM 821 C MET A 61 -4.498 -6.120 -13.014 1.00 0.00 C ATOM 822 O MET A 61 -5.172 -5.224 -13.517 1.00 0.00 O ATOM 823 CB MET A 61 -1.994 -5.750 -13.450 1.00 0.00 C ATOM 824 CG MET A 61 -1.861 -6.949 -14.382 1.00 0.00 C ATOM 825 SD MET A 61 -0.530 -6.767 -15.581 1.00 0.00 S ATOM 826 CE MET A 61 -1.065 -5.319 -16.523 1.00 0.00 C ATOM 0 H MET A 61 -2.122 -7.448 -11.458 1.00 0.00 H new ATOM 0 HA MET A 61 -3.164 -4.808 -11.944 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.150 -4.861 -14.062 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.045 -5.618 -12.931 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.687 -7.846 -13.788 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.802 -7.096 -14.912 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.503 -5.263 -17.455 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.129 -5.402 -16.745 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.886 -4.417 -15.937 1.00 0.00 H new ATOM 836 N LYS A 62 -4.881 -7.406 -13.001 1.00 0.00 N ATOM 837 CA LYS A 62 -6.241 -7.850 -13.388 1.00 0.00 C ATOM 838 C LYS A 62 -7.324 -7.232 -12.457 1.00 0.00 C ATOM 839 O LYS A 62 -8.449 -6.965 -12.889 1.00 0.00 O ATOM 840 CB LYS A 62 -6.328 -9.404 -13.404 1.00 0.00 C ATOM 841 CG LYS A 62 -7.652 -9.973 -13.961 1.00 0.00 C ATOM 842 CD LYS A 62 -7.868 -9.686 -15.469 1.00 0.00 C ATOM 843 CE LYS A 62 -6.815 -10.352 -16.364 1.00 0.00 C ATOM 844 NZ LYS A 62 -6.825 -11.836 -16.236 1.00 0.00 N ATOM 0 H LYS A 62 -4.264 -8.169 -12.724 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.438 -7.491 -14.398 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.502 -9.794 -13.999 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.190 -9.772 -12.387 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.671 -11.051 -13.799 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.484 -9.551 -13.397 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.858 -10.035 -15.761 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.848 -8.609 -15.634 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.998 -10.077 -17.403 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.827 -9.973 -16.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.183 -12.250 -16.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.510 -12.104 -15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.789 -12.192 -16.394 1.00 0.00 H new ATOM 858 N LYS A 63 -6.960 -7.024 -11.183 1.00 0.00 N ATOM 859 CA LYS A 63 -7.800 -6.260 -10.226 1.00 0.00 C ATOM 860 C LYS A 63 -7.974 -4.783 -10.697 1.00 0.00 C ATOM 861 O LYS A 63 -9.042 -4.186 -10.509 1.00 0.00 O ATOM 862 CB LYS A 63 -7.226 -6.318 -8.782 1.00 0.00 C ATOM 863 CG LYS A 63 -6.819 -7.732 -8.275 1.00 0.00 C ATOM 864 CD LYS A 63 -7.918 -8.801 -8.415 1.00 0.00 C ATOM 865 CE LYS A 63 -9.138 -8.540 -7.529 1.00 0.00 C ATOM 866 NZ LYS A 63 -10.226 -9.503 -7.809 1.00 0.00 N ATOM 0 H LYS A 63 -6.089 -7.372 -10.783 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.783 -6.731 -10.205 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.352 -5.668 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.969 -5.907 -8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.937 -8.061 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.532 -7.659 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.238 -8.848 -9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.500 -9.776 -8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.849 -8.610 -6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.498 -7.524 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.038 -9.299 -7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.517 -9.418 -8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.889 -10.470 -7.628 1.00 0.00 H new ATOM 880 N HIS A 64 -6.910 -4.203 -11.309 1.00 0.00 N ATOM 881 CA HIS A 64 -6.984 -2.882 -12.002 1.00 0.00 C ATOM 882 C HIS A 64 -7.777 -2.979 -13.333 1.00 0.00 C ATOM 883 O HIS A 64 -8.386 -1.996 -13.772 1.00 0.00 O ATOM 884 CB HIS A 64 -5.565 -2.313 -12.286 1.00 0.00 C ATOM 885 CG HIS A 64 -4.758 -1.953 -11.074 1.00 0.00 C ATOM 886 ND1 HIS A 64 -3.537 -2.392 -10.665 1.00 0.00 N flip ATOM 887 CD2 HIS A 64 -5.111 -0.958 -10.190 1.00 0.00 C flip ATOM 888 CE1 HIS A 64 -3.139 -1.657 -9.559 1.00 0.00 C flip ATOM 889 NE2 HIS A 64 -4.119 -0.815 -9.312 1.00 0.00 N flip ATOM 0 H HIS A 64 -5.984 -4.629 -11.339 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.510 -2.204 -11.330 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.008 -3.048 -12.867 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.667 -1.425 -12.910 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.031 -0.392 -10.206 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.213 -1.756 -9.012 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.119 -0.140 -8.547 1.00 0.00 H new ATOM 1020 N SER A 73 -12.816 7.479 -3.827 1.00 0.00 N ATOM 1021 CA SER A 73 -13.813 8.401 -4.345 1.00 0.00 C ATOM 1022 C SER A 73 -13.525 9.807 -3.826 1.00 0.00 C ATOM 1023 O SER A 73 -12.735 10.002 -2.898 1.00 0.00 O ATOM 1024 CB SER A 73 -15.217 7.915 -3.925 1.00 0.00 C ATOM 1025 OG SER A 73 -15.259 7.597 -2.539 1.00 0.00 O ATOM 0 HA SER A 73 -13.774 8.432 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.953 8.688 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.491 7.037 -4.510 1.00 0.00 H new ATOM 0 HG SER A 73 -14.353 7.399 -2.221 1.00 0.00 H new ATOM 1031 N CYS A 74 -14.168 10.785 -4.456 1.00 0.00 N ATOM 1032 CA CYS A 74 -14.099 12.188 -4.062 1.00 0.00 C ATOM 1033 C CYS A 74 -15.463 12.543 -3.484 1.00 0.00 C ATOM 1034 O CYS A 74 -16.453 12.494 -4.202 1.00 0.00 O ATOM 1035 CB CYS A 74 -13.759 13.068 -5.285 1.00 0.00 C ATOM 1036 SG CYS A 74 -13.950 14.850 -4.992 1.00 0.00 S ATOM 0 H CYS A 74 -14.762 10.622 -5.269 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.317 12.360 -3.323 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.731 12.869 -5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -14.399 12.777 -6.118 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.280 15.511 -5.889 1.00 0.00 H new ATOM 1041 N ASN A 75 -15.529 12.873 -2.186 1.00 0.00 N ATOM 1042 CA ASN A 75 -16.815 13.147 -1.506 1.00 0.00 C ATOM 1043 C ASN A 75 -17.483 14.450 -2.028 1.00 0.00 C ATOM 1044 O ASN A 75 -18.677 14.675 -1.815 1.00 0.00 O ATOM 1045 CB ASN A 75 -16.603 13.196 0.034 1.00 0.00 C ATOM 1046 CG ASN A 75 -17.909 13.141 0.854 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -18.863 12.312 0.439 1.00 0.00 O flip ATOM 1048 ND2 ASN A 75 -18.043 13.809 1.887 1.00 0.00 N flip ATOM 0 H ASN A 75 -14.711 12.958 -1.582 1.00 0.00 H new ATOM 0 HA ASN A 75 -17.500 12.332 -1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.967 12.361 0.329 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.067 14.111 0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -17.299 14.439 2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -18.898 13.730 2.438 1.00 0.00 H new ATOM 1055 N ILE A 76 -16.700 15.280 -2.756 1.00 0.00 N ATOM 1056 CA ILE A 76 -17.137 16.607 -3.221 1.00 0.00 C ATOM 1057 C ILE A 76 -17.811 16.543 -4.619 1.00 0.00 C ATOM 1058 O ILE A 76 -18.785 17.255 -4.858 1.00 0.00 O ATOM 1059 CB ILE A 76 -15.934 17.639 -3.240 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -15.006 17.422 -1.993 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -16.457 19.096 -3.304 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -13.977 18.505 -1.706 1.00 0.00 C ATOM 0 H ILE A 76 -15.748 15.044 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 76 -17.882 16.956 -2.506 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.341 17.462 -4.138 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -15.640 17.314 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.478 16.478 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.613 19.785 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.048 19.231 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -17.078 19.298 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.402 18.235 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -13.305 18.604 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.486 19.453 -1.533 1.00 0.00 H new ATOM 1074 N CYS A 77 -17.298 15.697 -5.556 1.00 0.00 N ATOM 1075 CA CYS A 77 -17.896 15.613 -6.924 1.00 0.00 C ATOM 1076 C CYS A 77 -18.015 14.171 -7.446 1.00 0.00 C ATOM 1077 O CYS A 77 -18.511 13.963 -8.557 1.00 0.00 O ATOM 1078 CB CYS A 77 -17.112 16.496 -7.926 1.00 0.00 C ATOM 1079 SG CYS A 77 -15.459 15.884 -8.385 1.00 0.00 S ATOM 0 H CYS A 77 -16.499 15.082 -5.400 1.00 0.00 H new ATOM 0 HA CYS A 77 -18.913 15.995 -6.836 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -17.706 16.600 -8.834 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -17.005 17.493 -7.498 1.00 0.00 H new ATOM 0 HG CYS A 77 -14.828 15.497 -7.317 1.00 0.00 H new ATOM 1084 N GLY A 78 -17.548 13.186 -6.651 1.00 0.00 N ATOM 1085 CA GLY A 78 -17.731 11.772 -6.962 1.00 0.00 C ATOM 1086 C GLY A 78 -16.985 11.315 -8.192 1.00 0.00 C ATOM 1087 O GLY A 78 -17.513 10.534 -8.980 1.00 0.00 O ATOM 0 H GLY A 78 -17.039 13.357 -5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -17.404 11.177 -6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -18.794 11.575 -7.100 1.00 0.00 H new ATOM 1091 N LYS A 79 -15.759 11.832 -8.371 1.00 0.00 N ATOM 1092 CA LYS A 79 -14.925 11.518 -9.532 1.00 0.00 C ATOM 1093 C LYS A 79 -14.498 10.016 -9.546 1.00 0.00 C ATOM 1094 O LYS A 79 -14.487 9.397 -10.611 1.00 0.00 O ATOM 1095 CB LYS A 79 -13.695 12.481 -9.513 1.00 0.00 C ATOM 1096 CG LYS A 79 -13.319 13.122 -10.875 1.00 0.00 C ATOM 1097 CD LYS A 79 -13.048 12.100 -12.007 1.00 0.00 C ATOM 1098 CE LYS A 79 -11.816 11.205 -11.751 1.00 0.00 C ATOM 1099 NZ LYS A 79 -11.746 10.083 -12.711 1.00 0.00 N ATOM 0 H LYS A 79 -15.323 12.478 -7.713 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.491 11.669 -10.451 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.894 13.280 -8.799 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -12.831 11.930 -9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.126 13.786 -11.186 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.432 13.740 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.927 11.467 -12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.907 12.638 -12.945 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.909 11.805 -11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.856 10.813 -10.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.906 9.504 -12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.600 9.497 -12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.682 10.458 -13.679 1.00 0.00 H new ATOM 1113 N LYS A 80 -14.153 9.475 -8.348 1.00 0.00 N ATOM 1114 CA LYS A 80 -13.666 8.089 -8.151 1.00 0.00 C ATOM 1115 C LYS A 80 -12.230 7.928 -8.679 1.00 0.00 C ATOM 1116 O LYS A 80 -11.967 8.105 -9.872 1.00 0.00 O ATOM 1117 CB LYS A 80 -14.613 6.982 -8.738 1.00 0.00 C ATOM 1118 CG LYS A 80 -15.787 6.549 -7.826 1.00 0.00 C ATOM 1119 CD LYS A 80 -16.878 7.617 -7.647 1.00 0.00 C ATOM 1120 CE LYS A 80 -18.005 7.148 -6.717 1.00 0.00 C ATOM 1121 NZ LYS A 80 -19.096 8.146 -6.624 1.00 0.00 N ATOM 0 H LYS A 80 -14.208 10.003 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.668 7.930 -7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.024 7.344 -9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.013 6.102 -8.969 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.241 5.649 -8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.391 6.283 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -16.431 8.526 -7.243 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.296 7.873 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.407 6.203 -7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.600 6.959 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.837 7.791 -5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.718 9.040 -6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.500 8.308 -7.569 1.00 0.00 H new ATOM 1135 N PHE A 81 -11.308 7.616 -7.752 1.00 0.00 N ATOM 1136 CA PHE A 81 -9.869 7.456 -8.044 1.00 0.00 C ATOM 1137 C PHE A 81 -9.358 6.090 -7.576 1.00 0.00 C ATOM 1138 O PHE A 81 -10.019 5.395 -6.813 1.00 0.00 O ATOM 1139 CB PHE A 81 -9.065 8.572 -7.350 1.00 0.00 C ATOM 1140 CG PHE A 81 -9.458 9.975 -7.793 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -8.838 10.563 -8.890 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -10.451 10.695 -7.130 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -9.179 11.824 -9.299 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -10.790 11.956 -7.544 1.00 0.00 C ATOM 1145 CZ PHE A 81 -10.156 12.516 -8.631 1.00 0.00 C ATOM 0 H PHE A 81 -11.540 7.466 -6.770 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.735 7.523 -9.124 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.202 8.489 -6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.004 8.421 -7.549 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.077 10.017 -9.427 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -10.957 10.255 -6.283 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.680 12.272 -10.145 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -11.554 12.510 -7.019 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.431 13.508 -8.960 1.00 0.00 H new ATOM 1155 N GLU A 82 -8.183 5.710 -8.085 1.00 0.00 N ATOM 1156 CA GLU A 82 -7.490 4.474 -7.702 1.00 0.00 C ATOM 1157 C GLU A 82 -6.860 4.564 -6.297 1.00 0.00 C ATOM 1158 O GLU A 82 -6.992 3.634 -5.493 1.00 0.00 O ATOM 1159 CB GLU A 82 -6.399 4.190 -8.762 1.00 0.00 C ATOM 1160 CG GLU A 82 -5.561 2.923 -8.534 1.00 0.00 C ATOM 1161 CD GLU A 82 -4.399 2.809 -9.530 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -3.326 3.365 -9.243 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -4.568 2.201 -10.612 1.00 0.00 O ATOM 0 H GLU A 82 -7.679 6.257 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.216 3.662 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.878 4.116 -9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.726 5.046 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.167 2.928 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.201 2.045 -8.623 1.00 0.00 H new ATOM 1170 N LYS A 83 -6.186 5.697 -6.009 1.00 0.00 N ATOM 1171 CA LYS A 83 -5.315 5.827 -4.829 1.00 0.00 C ATOM 1172 C LYS A 83 -5.351 7.252 -4.246 1.00 0.00 C ATOM 1173 O LYS A 83 -5.776 8.195 -4.922 1.00 0.00 O ATOM 1174 CB LYS A 83 -3.862 5.403 -5.207 1.00 0.00 C ATOM 1175 CG LYS A 83 -3.287 6.087 -6.472 1.00 0.00 C ATOM 1176 CD LYS A 83 -1.827 5.661 -6.754 1.00 0.00 C ATOM 1177 CE LYS A 83 -1.249 6.289 -8.035 1.00 0.00 C ATOM 1178 NZ LYS A 83 -1.812 5.676 -9.269 1.00 0.00 N ATOM 0 H LYS A 83 -6.231 6.538 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.686 5.163 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.206 5.621 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.842 4.323 -5.356 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.909 5.838 -7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.331 7.169 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.203 5.942 -5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.782 4.575 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.455 7.359 -8.037 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.165 6.173 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.040 5.287 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.468 4.912 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.322 6.400 -9.815 1.00 0.00 H new ATOM 1192 N LYS A 84 -4.872 7.367 -2.986 1.00 0.00 N ATOM 1193 CA LYS A 84 -4.769 8.635 -2.213 1.00 0.00 C ATOM 1194 C LYS A 84 -4.085 9.750 -3.021 1.00 0.00 C ATOM 1195 O LYS A 84 -4.498 10.914 -2.957 1.00 0.00 O ATOM 1196 CB LYS A 84 -3.954 8.396 -0.912 1.00 0.00 C ATOM 1197 CG LYS A 84 -4.659 7.549 0.165 1.00 0.00 C ATOM 1198 CD LYS A 84 -3.766 7.283 1.405 1.00 0.00 C ATOM 1199 CE LYS A 84 -4.539 6.684 2.599 1.00 0.00 C ATOM 1200 NZ LYS A 84 -5.283 5.450 2.238 1.00 0.00 N ATOM 0 H LYS A 84 -4.536 6.560 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.785 8.952 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.015 7.909 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.700 9.364 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.569 8.058 0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.961 6.596 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.961 6.603 1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.300 8.218 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.839 6.459 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -5.239 7.426 2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.770 5.080 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.983 5.670 1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.617 4.735 1.881 1.00 0.00 H new ATOM 1214 N ASP A 85 -3.045 9.352 -3.775 1.00 0.00 N ATOM 1215 CA ASP A 85 -2.221 10.260 -4.595 1.00 0.00 C ATOM 1216 C ASP A 85 -3.092 11.107 -5.526 1.00 0.00 C ATOM 1217 O ASP A 85 -2.932 12.324 -5.614 1.00 0.00 O ATOM 1218 CB ASP A 85 -1.209 9.441 -5.432 1.00 0.00 C ATOM 1219 CG ASP A 85 -0.261 8.604 -4.565 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -0.628 7.468 -4.189 1.00 0.00 O ATOM 1221 OD2 ASP A 85 0.843 9.082 -4.235 1.00 0.00 O ATOM 0 H ASP A 85 -2.749 8.378 -3.833 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.684 10.930 -3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.753 8.782 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.623 10.120 -6.052 1.00 0.00 H new ATOM 1226 N SER A 86 -4.043 10.434 -6.192 1.00 0.00 N ATOM 1227 CA SER A 86 -4.952 11.065 -7.143 1.00 0.00 C ATOM 1228 C SER A 86 -6.013 11.965 -6.446 1.00 0.00 C ATOM 1229 O SER A 86 -6.373 13.020 -6.964 1.00 0.00 O ATOM 1230 CB SER A 86 -5.612 9.953 -7.974 1.00 0.00 C ATOM 1231 OG SER A 86 -4.640 9.070 -8.503 1.00 0.00 O ATOM 0 H SER A 86 -4.198 9.432 -6.081 1.00 0.00 H new ATOM 0 HA SER A 86 -4.386 11.734 -7.791 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.313 9.397 -7.352 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.188 10.395 -8.787 1.00 0.00 H new ATOM 0 HG SER A 86 -5.084 8.370 -9.026 1.00 0.00 H new ATOM 1237 N VAL A 87 -6.472 11.531 -5.252 1.00 0.00 N ATOM 1238 CA VAL A 87 -7.628 12.138 -4.534 1.00 0.00 C ATOM 1239 C VAL A 87 -7.243 13.480 -3.886 1.00 0.00 C ATOM 1240 O VAL A 87 -7.908 14.505 -4.084 1.00 0.00 O ATOM 1241 CB VAL A 87 -8.189 11.168 -3.411 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -9.435 11.758 -2.705 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -8.497 9.773 -3.988 1.00 0.00 C ATOM 0 H VAL A 87 -6.053 10.747 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.404 12.308 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.407 11.064 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -9.786 11.061 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -9.172 12.706 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.225 11.923 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.880 9.128 -3.197 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.244 9.862 -4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -7.585 9.340 -4.399 1.00 0.00 H new ATOM 1253 N VAL A 88 -6.140 13.432 -3.133 1.00 0.00 N ATOM 1254 CA VAL A 88 -5.656 14.538 -2.282 1.00 0.00 C ATOM 1255 C VAL A 88 -5.098 15.652 -3.171 1.00 0.00 C ATOM 1256 O VAL A 88 -5.264 16.847 -2.883 1.00 0.00 O ATOM 1257 CB VAL A 88 -4.551 14.040 -1.264 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -4.025 15.193 -0.371 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -5.086 12.859 -0.407 1.00 0.00 C ATOM 0 H VAL A 88 -5.541 12.607 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.493 14.920 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.704 13.680 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.269 14.808 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.585 15.968 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.851 15.615 0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.311 12.532 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.961 13.185 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.362 12.031 -1.060 1.00 0.00 H new ATOM 1269 N ALA A 89 -4.488 15.221 -4.297 1.00 0.00 N ATOM 1270 CA ALA A 89 -3.972 16.128 -5.330 1.00 0.00 C ATOM 1271 C ALA A 89 -5.142 16.888 -5.968 1.00 0.00 C ATOM 1272 O ALA A 89 -5.099 18.108 -6.122 1.00 0.00 O ATOM 1273 CB ALA A 89 -3.193 15.350 -6.406 1.00 0.00 C ATOM 0 H ALA A 89 -4.343 14.234 -4.509 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.286 16.836 -4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.821 16.044 -7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.353 14.832 -5.944 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.853 14.622 -6.878 1.00 0.00 H new ATOM 1279 N HIS A 90 -6.214 16.135 -6.277 1.00 0.00 N ATOM 1280 CA HIS A 90 -7.401 16.671 -6.979 1.00 0.00 C ATOM 1281 C HIS A 90 -8.243 17.590 -6.071 1.00 0.00 C ATOM 1282 O HIS A 90 -8.860 18.525 -6.550 1.00 0.00 O ATOM 1283 CB HIS A 90 -8.235 15.484 -7.539 1.00 0.00 C ATOM 1284 CG HIS A 90 -9.690 15.750 -7.827 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -10.189 16.166 -9.037 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -10.763 15.547 -7.036 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -11.522 16.194 -8.939 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -11.919 15.816 -7.739 1.00 0.00 N ATOM 0 H HIS A 90 -6.284 15.143 -6.050 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.071 17.296 -7.809 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -7.763 15.143 -8.461 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.175 14.661 -6.827 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -9.641 16.410 -9.862 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.723 15.223 -6.007 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.187 16.488 -9.738 1.00 0.00 H new ATOM 1296 N LYS A 91 -8.288 17.282 -4.777 1.00 0.00 N ATOM 1297 CA LYS A 91 -9.075 18.050 -3.792 1.00 0.00 C ATOM 1298 C LYS A 91 -8.398 19.401 -3.510 1.00 0.00 C ATOM 1299 O LYS A 91 -9.047 20.452 -3.486 1.00 0.00 O ATOM 1300 CB LYS A 91 -9.252 17.240 -2.477 1.00 0.00 C ATOM 1301 CG LYS A 91 -10.182 17.913 -1.448 1.00 0.00 C ATOM 1302 CD LYS A 91 -10.261 17.144 -0.114 1.00 0.00 C ATOM 1303 CE LYS A 91 -11.182 17.837 0.906 1.00 0.00 C ATOM 1304 NZ LYS A 91 -11.186 17.144 2.220 1.00 0.00 N ATOM 0 H LYS A 91 -7.782 16.494 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.065 18.237 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.648 16.254 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.273 17.087 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.830 18.927 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.183 17.998 -1.872 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.625 16.134 -0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.261 17.050 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.859 18.869 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.198 17.871 0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.819 17.645 2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.519 16.167 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.222 17.134 2.610 1.00 0.00 H new ATOM 1318 N ALA A 92 -7.067 19.338 -3.334 1.00 0.00 N ATOM 1319 CA ALA A 92 -6.226 20.512 -3.053 1.00 0.00 C ATOM 1320 C ALA A 92 -6.210 21.514 -4.231 1.00 0.00 C ATOM 1321 O ALA A 92 -5.914 22.704 -4.045 1.00 0.00 O ATOM 1322 CB ALA A 92 -4.799 20.064 -2.702 1.00 0.00 C ATOM 0 H ALA A 92 -6.542 18.465 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.659 21.033 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.183 20.939 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.825 19.423 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.375 19.511 -3.540 1.00 0.00 H new ATOM 1328 N LYS A 93 -6.520 21.029 -5.449 1.00 0.00 N ATOM 1329 CA LYS A 93 -6.465 21.861 -6.675 1.00 0.00 C ATOM 1330 C LYS A 93 -7.875 22.233 -7.183 1.00 0.00 C ATOM 1331 O LYS A 93 -8.165 23.414 -7.424 1.00 0.00 O ATOM 1332 CB LYS A 93 -5.649 21.138 -7.788 1.00 0.00 C ATOM 1333 CG LYS A 93 -4.175 20.884 -7.405 1.00 0.00 C ATOM 1334 CD LYS A 93 -3.374 20.178 -8.517 1.00 0.00 C ATOM 1335 CE LYS A 93 -1.924 19.893 -8.104 1.00 0.00 C ATOM 1336 NZ LYS A 93 -1.151 19.258 -9.200 1.00 0.00 N ATOM 0 H LYS A 93 -6.812 20.066 -5.614 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.959 22.792 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.126 20.185 -8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.682 21.737 -8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.698 21.835 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.140 20.278 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.866 19.240 -8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.378 20.798 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.440 20.825 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.917 19.242 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.177 19.082 -8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.598 18.356 -9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.136 19.890 -10.026 1.00 0.00 H new ATOM 1350 N SER A 94 -8.755 21.227 -7.317 1.00 0.00 N ATOM 1351 CA SER A 94 -10.054 21.365 -8.011 1.00 0.00 C ATOM 1352 C SER A 94 -11.174 21.780 -7.036 1.00 0.00 C ATOM 1353 O SER A 94 -12.284 22.113 -7.470 1.00 0.00 O ATOM 1354 CB SER A 94 -10.423 20.041 -8.744 1.00 0.00 C ATOM 1355 OG SER A 94 -11.631 20.158 -9.485 1.00 0.00 O ATOM 0 H SER A 94 -8.589 20.291 -6.947 1.00 0.00 H new ATOM 0 HA SER A 94 -9.954 22.157 -8.753 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.612 19.761 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.523 19.238 -8.013 1.00 0.00 H new ATOM 0 HG SER A 94 -12.141 20.929 -9.160 1.00 0.00 H new ATOM 1361 N HIS A 95 -10.878 21.765 -5.716 1.00 0.00 N ATOM 1362 CA HIS A 95 -11.843 22.161 -4.660 1.00 0.00 C ATOM 1363 C HIS A 95 -11.135 23.002 -3.557 1.00 0.00 C ATOM 1364 O HIS A 95 -11.072 22.567 -2.398 1.00 0.00 O ATOM 1365 CB HIS A 95 -12.529 20.921 -4.018 1.00 0.00 C ATOM 1366 CG HIS A 95 -13.154 19.962 -4.984 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -14.116 20.304 -5.910 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -12.934 18.642 -5.144 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -14.441 19.196 -6.585 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -13.744 18.168 -6.151 1.00 0.00 N ATOM 0 H HIS A 95 -9.969 21.480 -5.352 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.613 22.769 -5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.789 20.383 -3.426 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.298 21.269 -3.328 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -14.509 21.234 -6.054 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.234 18.050 -4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -15.174 19.151 -7.377 1.00 0.00 H new