USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 408 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 VAL N :NH3+ -178:sc= -0.21 (180deg=-0.215) USER MOD Single : A 5 TYR OH : rot -47:sc= 1.14 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 11 ASN : amide:sc= 0.728 K(o=0.73,f=-7.2!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 165:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.026) USER MOD Single : A 20 SER OG : rot 180:sc= 0.128 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.0172 (180deg=-0.192) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 74:sc= 0.848 USER MOD Single : A 34 SER OG : rot 5:sc= 1.22 USER MOD Single : A 36 HIS : no HD1:sc= -3.04! K(o=-3!,f=-0.74) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.59) USER MOD Single : A 50 ASN : amide:sc= 1.02 K(o=1,f=-4.1!) USER MOD Single : A 55 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.610 11.600 5.637 1.00 0.00 N ATOM 2 CA VAL A 1 7.175 10.338 4.992 1.00 0.00 C ATOM 3 C VAL A 1 6.097 9.668 5.812 1.00 0.00 C ATOM 4 O VAL A 1 5.958 9.926 7.008 1.00 0.00 O ATOM 5 CB VAL A 1 8.353 9.374 4.774 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.350 9.960 3.750 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.059 8.996 6.096 1.00 0.00 C ATOM 0 H1 VAL A 1 8.327 12.064 5.043 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.792 12.232 5.750 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.017 11.390 6.571 1.00 0.00 H new ATOM 0 HA VAL A 1 6.770 10.594 4.013 1.00 0.00 H new ATOM 0 HB VAL A 1 7.945 8.449 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.177 9.264 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.843 10.119 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.735 10.910 4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.883 8.314 5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 1 9.446 9.897 6.572 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.347 8.510 6.763 1.00 0.00 H new ATOM 19 N ARG A 2 5.307 8.770 5.179 1.00 0.00 N ATOM 20 CA ARG A 2 4.345 7.944 5.879 1.00 0.00 C ATOM 21 C ARG A 2 4.973 6.585 5.997 1.00 0.00 C ATOM 22 O ARG A 2 5.884 6.254 5.233 1.00 0.00 O ATOM 23 CB ARG A 2 2.991 7.688 5.155 1.00 0.00 C ATOM 24 CG ARG A 2 2.150 8.919 4.771 1.00 0.00 C ATOM 25 CD ARG A 2 2.502 9.508 3.393 1.00 0.00 C ATOM 26 NE ARG A 2 1.252 9.964 2.682 1.00 0.00 N ATOM 27 CZ ARG A 2 0.594 11.133 2.952 1.00 0.00 C ATOM 28 NH1 ARG A 2 1.017 11.983 3.931 1.00 0.00 N ATOM 29 NH2 ARG A 2 -0.506 11.457 2.209 1.00 0.00 N ATOM 0 H ARG A 2 5.332 8.612 4.172 1.00 0.00 H new ATOM 0 HA ARG A 2 4.119 8.475 6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.197 7.123 4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.382 7.050 5.795 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.095 8.644 4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.284 9.690 5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 2 3.187 10.348 3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.018 8.760 2.791 1.00 0.00 H new ATOM 0 HE ARG A 2 0.872 9.361 1.952 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.843 11.754 4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.507 12.848 4.111 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.823 10.832 1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.010 12.324 2.395 1.00 0.00 H new ATOM 43 N ASP A 3 4.439 5.742 6.911 1.00 0.00 N ATOM 44 CA ASP A 3 4.602 4.315 6.854 1.00 0.00 C ATOM 45 C ASP A 3 3.146 3.985 6.890 1.00 0.00 C ATOM 46 O ASP A 3 2.429 4.608 7.674 1.00 0.00 O ATOM 47 CB ASP A 3 5.272 3.641 8.085 1.00 0.00 C ATOM 48 CG ASP A 3 6.656 4.216 8.390 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.353 4.665 7.445 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.042 4.199 9.589 1.00 0.00 O ATOM 0 H ASP A 3 3.883 6.059 7.705 1.00 0.00 H new ATOM 0 HA ASP A 3 5.236 3.989 6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.630 3.766 8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.359 2.570 7.905 1.00 0.00 H new ATOM 55 N GLY A 4 2.642 3.104 6.005 1.00 0.00 N ATOM 56 CA GLY A 4 1.260 2.732 6.081 1.00 0.00 C ATOM 57 C GLY A 4 1.183 1.479 5.295 1.00 0.00 C ATOM 58 O GLY A 4 2.210 0.975 4.838 1.00 0.00 O ATOM 0 H GLY A 4 3.173 2.659 5.256 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.945 2.576 7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.615 3.505 5.664 1.00 0.00 H new ATOM 62 N TYR A 5 -0.054 1.014 5.028 1.00 0.00 N ATOM 63 CA TYR A 5 -0.302 0.051 3.988 1.00 0.00 C ATOM 64 C TYR A 5 -0.397 0.884 2.746 1.00 0.00 C ATOM 65 O TYR A 5 -1.030 1.935 2.799 1.00 0.00 O ATOM 66 CB TYR A 5 -1.658 -0.668 4.132 1.00 0.00 C ATOM 67 CG TYR A 5 -1.670 -1.576 5.319 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.250 -2.905 5.175 1.00 0.00 C ATOM 69 CD2 TYR A 5 -2.130 -1.130 6.571 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.331 -3.790 6.251 1.00 0.00 C ATOM 71 CE2 TYR A 5 -2.200 -2.012 7.656 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.837 -3.354 7.485 1.00 0.00 C ATOM 73 OH TYR A 5 -2.048 -4.282 8.526 1.00 0.00 O ATOM 0 H TYR A 5 -0.890 1.306 5.535 1.00 0.00 H new ATOM 0 HA TYR A 5 0.475 -0.714 4.001 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.454 0.070 4.228 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.864 -1.244 3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.862 -3.246 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.431 -0.100 6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.004 -4.812 6.134 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.533 -1.659 8.621 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.518 -5.067 8.174 1.00 0.00 H new ATOM 83 N ILE A 6 0.236 0.465 1.628 1.00 0.00 N ATOM 84 CA ILE A 6 0.137 1.133 0.351 1.00 0.00 C ATOM 85 C ILE A 6 -1.005 0.516 -0.420 1.00 0.00 C ATOM 86 O ILE A 6 -1.273 -0.694 -0.307 1.00 0.00 O ATOM 87 CB ILE A 6 1.449 1.174 -0.440 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.424 2.179 -1.623 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.883 -0.240 -0.859 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.770 2.342 -2.335 1.00 0.00 C ATOM 0 H ILE A 6 0.834 -0.361 1.608 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.073 2.188 0.529 1.00 0.00 H new ATOM 0 HB ILE A 6 2.214 1.562 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.679 1.851 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.101 3.152 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.817 -0.183 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.030 -0.854 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.111 -0.687 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.667 3.061 -3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.516 2.701 -1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.087 1.380 -2.739 1.00 0.00 H new ATOM 102 N ALA A 7 -1.649 1.389 -1.230 1.00 0.00 N ATOM 103 CA ALA A 7 -2.738 1.118 -2.100 1.00 0.00 C ATOM 104 C ALA A 7 -2.569 2.078 -3.224 1.00 0.00 C ATOM 105 O ALA A 7 -1.554 2.767 -3.309 1.00 0.00 O ATOM 106 CB ALA A 7 -4.081 1.483 -1.473 1.00 0.00 C ATOM 0 H ALA A 7 -1.372 2.370 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.739 0.060 -2.364 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.884 1.258 -2.175 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.225 0.905 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.094 2.547 -1.235 1.00 0.00 H new ATOM 112 N GLN A 8 -3.626 2.150 -4.059 1.00 0.00 N ATOM 113 CA GLN A 8 -3.840 3.119 -5.091 1.00 0.00 C ATOM 114 C GLN A 8 -4.563 4.260 -4.401 1.00 0.00 C ATOM 115 O GLN A 8 -5.302 3.951 -3.461 1.00 0.00 O ATOM 116 CB GLN A 8 -4.786 2.548 -6.181 1.00 0.00 C ATOM 117 CG GLN A 8 -4.268 1.222 -6.776 1.00 0.00 C ATOM 118 CD GLN A 8 -5.285 0.634 -7.758 1.00 0.00 C ATOM 119 OE1 GLN A 8 -6.326 1.239 -8.037 1.00 0.00 O ATOM 120 NE2 GLN A 8 -4.971 -0.583 -8.293 1.00 0.00 N ATOM 0 H GLN A 8 -4.390 1.476 -4.006 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.903 3.412 -5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.775 2.388 -5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.900 3.281 -6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.320 1.393 -7.286 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.075 0.509 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.100 -1.045 -8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.608 -1.030 -8.953 1.00 0.00 H new ATOM 129 N PRO A 9 -4.451 5.532 -4.795 1.00 0.00 N ATOM 130 CA PRO A 9 -5.040 6.667 -4.075 1.00 0.00 C ATOM 131 C PRO A 9 -6.552 6.778 -4.130 1.00 0.00 C ATOM 132 O PRO A 9 -7.063 7.896 -4.098 1.00 0.00 O ATOM 133 CB PRO A 9 -4.462 7.897 -4.797 1.00 0.00 C ATOM 134 CG PRO A 9 -3.101 7.426 -5.301 1.00 0.00 C ATOM 135 CD PRO A 9 -3.384 5.978 -5.701 1.00 0.00 C ATOM 0 HA PRO A 9 -4.806 6.562 -3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.103 8.215 -5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.365 8.747 -4.121 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.752 8.020 -6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.336 7.492 -4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.698 5.911 -6.743 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.493 5.359 -5.596 1.00 0.00 H new ATOM 143 N GLU A 10 -7.287 5.654 -4.192 1.00 0.00 N ATOM 144 CA GLU A 10 -8.721 5.636 -4.323 1.00 0.00 C ATOM 145 C GLU A 10 -9.275 5.156 -3.011 1.00 0.00 C ATOM 146 O GLU A 10 -10.461 4.831 -2.918 1.00 0.00 O ATOM 147 CB GLU A 10 -9.216 4.676 -5.434 1.00 0.00 C ATOM 148 CG GLU A 10 -8.426 4.749 -6.752 1.00 0.00 C ATOM 149 CD GLU A 10 -8.499 6.162 -7.328 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.634 6.623 -7.620 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.421 6.796 -7.484 1.00 0.00 O ATOM 0 H GLU A 10 -6.874 4.722 -4.150 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.054 6.639 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.172 3.654 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.263 4.894 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.386 4.472 -6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.831 4.034 -7.468 1.00 0.00 H new ATOM 158 N ASN A 11 -8.383 5.091 -1.994 1.00 0.00 N ATOM 159 CA ASN A 11 -8.582 4.537 -0.679 1.00 0.00 C ATOM 160 C ASN A 11 -8.748 3.052 -0.814 1.00 0.00 C ATOM 161 O ASN A 11 -9.745 2.482 -0.381 1.00 0.00 O ATOM 162 CB ASN A 11 -9.761 5.145 0.121 1.00 0.00 C ATOM 163 CG ASN A 11 -9.569 4.814 1.602 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.459 4.490 2.038 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.653 4.952 2.408 1.00 0.00 N ATOM 0 H ASN A 11 -7.438 5.460 -2.104 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.699 4.793 -0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.799 6.225 -0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.708 4.742 -0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.567 4.787 3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.553 5.221 2.011 1.00 0.00 H new ATOM 172 N CYS A 12 -7.776 2.402 -1.480 1.00 0.00 N ATOM 173 CA CYS A 12 -7.935 1.030 -1.924 1.00 0.00 C ATOM 174 C CYS A 12 -7.021 0.166 -1.118 1.00 0.00 C ATOM 175 O CYS A 12 -6.652 0.525 -0.004 1.00 0.00 O ATOM 176 CB CYS A 12 -7.728 0.889 -3.460 1.00 0.00 C ATOM 177 SG CYS A 12 -9.189 0.202 -4.298 1.00 0.00 S ATOM 0 H CYS A 12 -6.875 2.817 -1.717 1.00 0.00 H new ATOM 0 HA CYS A 12 -8.959 0.698 -1.755 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.496 1.866 -3.884 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -6.868 0.247 -3.650 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.955 0.111 -5.574 1.00 0.00 H new ATOM 182 N VAL A 13 -6.611 -0.994 -1.661 1.00 0.00 N ATOM 183 CA VAL A 13 -5.505 -1.757 -1.180 1.00 0.00 C ATOM 184 C VAL A 13 -4.873 -2.066 -2.503 1.00 0.00 C ATOM 185 O VAL A 13 -5.533 -1.917 -3.535 1.00 0.00 O ATOM 186 CB VAL A 13 -5.855 -2.998 -0.376 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.232 -2.559 1.049 1.00 0.00 C ATOM 188 CG2 VAL A 13 -6.987 -3.813 -1.020 1.00 0.00 C ATOM 0 H VAL A 13 -7.070 -1.416 -2.468 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.886 -1.239 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.988 -3.658 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.487 -3.436 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.388 -2.043 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.089 -1.886 1.008 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.199 -4.689 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.883 -3.196 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.684 -4.133 -2.017 1.00 0.00 H new ATOM 198 N TYR A 14 -3.585 -2.453 -2.499 1.00 0.00 N ATOM 199 CA TYR A 14 -2.848 -2.908 -3.647 1.00 0.00 C ATOM 200 C TYR A 14 -2.663 -4.303 -3.191 1.00 0.00 C ATOM 201 O TYR A 14 -2.257 -4.477 -2.051 1.00 0.00 O ATOM 202 CB TYR A 14 -1.413 -2.303 -3.744 1.00 0.00 C ATOM 203 CG TYR A 14 -1.222 -1.394 -4.923 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.521 -1.812 -6.233 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.651 -0.124 -4.734 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.315 -0.953 -7.321 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.473 0.752 -5.809 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.817 0.342 -7.101 1.00 0.00 C ATOM 209 OH TYR A 14 -0.663 1.253 -8.166 1.00 0.00 O ATOM 0 H TYR A 14 -3.022 -2.450 -1.648 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.333 -2.690 -4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.199 -1.749 -2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.688 -3.115 -3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.913 -2.804 -6.402 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.345 0.180 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.538 -1.285 -8.324 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.072 1.741 -5.642 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.540 2.157 -7.808 1.00 0.00 H new ATOM 219 N HIS A 15 -2.950 -5.329 -4.010 1.00 0.00 N ATOM 220 CA HIS A 15 -2.901 -6.676 -3.505 1.00 0.00 C ATOM 221 C HIS A 15 -1.471 -7.100 -3.568 1.00 0.00 C ATOM 222 O HIS A 15 -0.739 -6.732 -4.486 1.00 0.00 O ATOM 223 CB HIS A 15 -3.801 -7.672 -4.268 1.00 0.00 C ATOM 224 CG HIS A 15 -5.251 -7.534 -3.881 1.00 0.00 C ATOM 225 ND1 HIS A 15 -5.988 -6.399 -4.097 1.00 0.00 N ATOM 226 CD2 HIS A 15 -6.044 -8.398 -3.206 1.00 0.00 C ATOM 227 CE1 HIS A 15 -7.189 -6.573 -3.565 1.00 0.00 C ATOM 228 NE2 HIS A 15 -7.251 -7.779 -3.019 1.00 0.00 N ATOM 0 H HIS A 15 -3.209 -5.239 -4.992 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.292 -6.684 -2.488 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.695 -7.508 -5.340 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.467 -8.690 -4.066 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.775 -9.391 -2.876 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.989 -5.848 -3.575 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.059 -8.178 -2.541 1.00 0.00 H new ATOM 237 N CYS A 16 -1.034 -7.853 -2.543 1.00 0.00 N ATOM 238 CA CYS A 16 0.319 -8.302 -2.445 1.00 0.00 C ATOM 239 C CYS A 16 0.356 -9.632 -3.113 1.00 0.00 C ATOM 240 O CYS A 16 -0.646 -10.131 -3.627 1.00 0.00 O ATOM 241 CB CYS A 16 0.829 -8.422 -0.983 1.00 0.00 C ATOM 242 SG CYS A 16 2.626 -8.142 -0.826 1.00 0.00 S ATOM 0 H CYS A 16 -1.629 -8.154 -1.771 1.00 0.00 H new ATOM 0 HA CYS A 16 0.978 -7.573 -2.916 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.299 -7.702 -0.360 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.587 -9.414 -0.600 1.00 0.00 H new ATOM 247 N PHE A 17 1.542 -10.239 -3.116 1.00 0.00 N ATOM 248 CA PHE A 17 1.809 -11.450 -3.792 1.00 0.00 C ATOM 249 C PHE A 17 2.480 -12.145 -2.664 1.00 0.00 C ATOM 250 O PHE A 17 3.409 -11.533 -2.134 1.00 0.00 O ATOM 251 CB PHE A 17 2.846 -11.238 -4.923 1.00 0.00 C ATOM 252 CG PHE A 17 2.285 -10.307 -5.969 1.00 0.00 C ATOM 253 CD1 PHE A 17 1.546 -10.824 -7.046 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.453 -8.910 -5.871 1.00 0.00 C ATOM 255 CE1 PHE A 17 0.977 -9.970 -8.001 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.883 -8.053 -6.819 1.00 0.00 C ATOM 257 CZ PHE A 17 1.142 -8.583 -7.885 1.00 0.00 C ATOM 0 H PHE A 17 2.353 -9.866 -2.623 1.00 0.00 H new ATOM 0 HA PHE A 17 0.951 -11.934 -4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.766 -10.823 -4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.103 -12.195 -5.376 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.415 -11.892 -7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.028 -8.497 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.412 -10.380 -8.825 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.014 -6.985 -6.730 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.699 -7.923 -8.616 1.00 0.00 H new ATOM 267 N PRO A 18 2.091 -13.339 -2.230 1.00 0.00 N ATOM 268 CA PRO A 18 2.903 -14.180 -1.360 1.00 0.00 C ATOM 269 C PRO A 18 4.208 -14.601 -2.027 1.00 0.00 C ATOM 270 O PRO A 18 4.403 -15.771 -2.350 1.00 0.00 O ATOM 271 CB PRO A 18 1.992 -15.390 -1.102 1.00 0.00 C ATOM 272 CG PRO A 18 0.585 -14.784 -1.055 1.00 0.00 C ATOM 273 CD PRO A 18 0.660 -13.631 -2.065 1.00 0.00 C ATOM 0 HA PRO A 18 3.213 -13.668 -0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.081 -16.134 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.244 -15.889 -0.166 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.176 -15.513 -1.333 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.334 -14.427 -0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.206 -13.913 -3.015 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.121 -12.756 -1.701 1.00 0.00 H new ATOM 281 N GLY A 19 5.087 -13.617 -2.239 1.00 0.00 N ATOM 282 CA GLY A 19 6.311 -13.679 -2.962 1.00 0.00 C ATOM 283 C GLY A 19 6.570 -12.218 -2.921 1.00 0.00 C ATOM 284 O GLY A 19 6.277 -11.489 -3.869 1.00 0.00 O ATOM 0 H GLY A 19 4.922 -12.682 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.080 -14.273 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.202 -14.075 -3.972 1.00 0.00 H new ATOM 288 N SER A 20 7.039 -11.755 -1.739 1.00 0.00 N ATOM 289 CA SER A 20 7.020 -10.409 -1.233 1.00 0.00 C ATOM 290 C SER A 20 7.534 -9.396 -2.214 1.00 0.00 C ATOM 291 O SER A 20 6.995 -8.294 -2.343 1.00 0.00 O ATOM 292 CB SER A 20 7.864 -10.369 0.065 1.00 0.00 C ATOM 293 OG SER A 20 7.696 -11.595 0.784 1.00 0.00 O ATOM 0 H SER A 20 7.475 -12.392 -1.072 1.00 0.00 H new ATOM 0 HA SER A 20 5.982 -10.138 -1.040 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.916 -10.219 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.557 -9.527 0.685 1.00 0.00 H new ATOM 0 HG SER A 20 8.232 -11.569 1.604 1.00 0.00 H new ATOM 299 N SER A 21 8.583 -9.788 -2.964 1.00 0.00 N ATOM 300 CA SER A 21 9.254 -8.961 -3.922 1.00 0.00 C ATOM 301 C SER A 21 8.403 -8.472 -5.054 1.00 0.00 C ATOM 302 O SER A 21 8.766 -7.486 -5.690 1.00 0.00 O ATOM 303 CB SER A 21 10.506 -9.652 -4.478 1.00 0.00 C ATOM 304 OG SER A 21 11.303 -10.096 -3.384 1.00 0.00 O ATOM 0 H SER A 21 8.981 -10.725 -2.899 1.00 0.00 H new ATOM 0 HA SER A 21 9.533 -8.074 -3.354 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.224 -10.496 -5.108 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.073 -8.962 -5.104 1.00 0.00 H new ATOM 0 HG SER A 21 12.107 -10.542 -3.724 1.00 0.00 H new ATOM 310 N GLY A 22 7.226 -9.076 -5.323 1.00 0.00 N ATOM 311 CA GLY A 22 6.325 -8.524 -6.316 1.00 0.00 C ATOM 312 C GLY A 22 5.858 -7.153 -5.897 1.00 0.00 C ATOM 313 O GLY A 22 5.991 -6.168 -6.629 1.00 0.00 O ATOM 0 H GLY A 22 6.896 -9.928 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.829 -8.464 -7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.467 -9.184 -6.445 1.00 0.00 H new ATOM 317 N CYS A 23 5.337 -7.044 -4.658 1.00 0.00 N ATOM 318 CA CYS A 23 4.782 -5.792 -4.218 1.00 0.00 C ATOM 319 C CYS A 23 5.861 -4.955 -3.607 1.00 0.00 C ATOM 320 O CYS A 23 5.733 -3.738 -3.562 1.00 0.00 O ATOM 321 CB CYS A 23 3.595 -5.921 -3.248 1.00 0.00 C ATOM 322 SG CYS A 23 2.374 -4.604 -3.531 1.00 0.00 S ATOM 0 H CYS A 23 5.298 -7.800 -3.974 1.00 0.00 H new ATOM 0 HA CYS A 23 4.375 -5.313 -5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.121 -6.894 -3.375 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.954 -5.874 -2.220 1.00 0.00 H new ATOM 327 N ASP A 24 6.987 -5.560 -3.158 1.00 0.00 N ATOM 328 CA ASP A 24 8.147 -4.800 -2.735 1.00 0.00 C ATOM 329 C ASP A 24 8.715 -4.040 -3.920 1.00 0.00 C ATOM 330 O ASP A 24 9.153 -2.903 -3.777 1.00 0.00 O ATOM 331 CB ASP A 24 9.262 -5.680 -2.105 1.00 0.00 C ATOM 332 CG ASP A 24 10.237 -4.908 -1.203 1.00 0.00 C ATOM 333 OD1 ASP A 24 9.999 -3.702 -0.928 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.237 -5.540 -0.770 1.00 0.00 O ATOM 0 H ASP A 24 7.099 -6.571 -3.086 1.00 0.00 H new ATOM 0 HA ASP A 24 7.808 -4.114 -1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.797 -6.475 -1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.826 -6.160 -2.905 1.00 0.00 H new ATOM 339 N THR A 25 8.656 -4.611 -5.146 1.00 0.00 N ATOM 340 CA THR A 25 9.038 -3.893 -6.345 1.00 0.00 C ATOM 341 C THR A 25 8.090 -2.731 -6.574 1.00 0.00 C ATOM 342 O THR A 25 8.547 -1.621 -6.847 1.00 0.00 O ATOM 343 CB THR A 25 9.077 -4.769 -7.583 1.00 0.00 C ATOM 344 OG1 THR A 25 9.903 -5.908 -7.354 1.00 0.00 O ATOM 345 CG2 THR A 25 9.662 -3.995 -8.787 1.00 0.00 C ATOM 0 H THR A 25 8.345 -5.568 -5.312 1.00 0.00 H new ATOM 0 HA THR A 25 10.053 -3.532 -6.181 1.00 0.00 H new ATOM 0 HB THR A 25 8.054 -5.075 -7.800 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.374 -6.616 -6.930 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.680 -4.644 -9.663 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.042 -3.122 -8.994 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.677 -3.672 -8.554 1.00 0.00 H new ATOM 353 N LEU A 26 6.753 -2.944 -6.430 1.00 0.00 N ATOM 354 CA LEU A 26 5.768 -1.887 -6.601 1.00 0.00 C ATOM 355 C LEU A 26 5.968 -0.798 -5.584 1.00 0.00 C ATOM 356 O LEU A 26 5.956 0.389 -5.898 1.00 0.00 O ATOM 357 CB LEU A 26 4.303 -2.358 -6.475 1.00 0.00 C ATOM 358 CG LEU A 26 3.862 -3.401 -7.525 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.379 -3.764 -7.326 1.00 0.00 C ATOM 360 CD2 LEU A 26 4.106 -2.944 -8.976 1.00 0.00 C ATOM 0 H LEU A 26 6.350 -3.851 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 26 5.929 -1.530 -7.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.157 -2.781 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.650 -1.489 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 26 4.484 -4.282 -7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.081 -4.500 -8.073 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.237 -4.181 -6.329 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.767 -2.868 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.774 -3.722 -9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.547 -2.028 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.170 -2.758 -9.125 1.00 0.00 H new ATOM 372 N CYS A 27 6.217 -1.195 -4.323 1.00 0.00 N ATOM 373 CA CYS A 27 6.571 -0.318 -3.229 1.00 0.00 C ATOM 374 C CYS A 27 7.770 0.519 -3.609 1.00 0.00 C ATOM 375 O CYS A 27 7.755 1.743 -3.484 1.00 0.00 O ATOM 376 CB CYS A 27 6.882 -1.133 -1.942 1.00 0.00 C ATOM 377 SG CYS A 27 7.138 -0.144 -0.449 1.00 0.00 S ATOM 0 H CYS A 27 6.171 -2.175 -4.044 1.00 0.00 H new ATOM 0 HA CYS A 27 5.723 0.335 -3.025 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.061 -1.827 -1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.774 -1.734 -2.118 1.00 0.00 H new ATOM 382 N LYS A 28 8.829 -0.130 -4.139 1.00 0.00 N ATOM 383 CA LYS A 28 10.076 0.525 -4.442 1.00 0.00 C ATOM 384 C LYS A 28 9.922 1.537 -5.550 1.00 0.00 C ATOM 385 O LYS A 28 10.492 2.623 -5.468 1.00 0.00 O ATOM 386 CB LYS A 28 11.197 -0.483 -4.812 1.00 0.00 C ATOM 387 CG LYS A 28 12.617 0.062 -4.580 1.00 0.00 C ATOM 388 CD LYS A 28 12.990 0.164 -3.087 1.00 0.00 C ATOM 389 CE LYS A 28 14.298 0.923 -2.826 1.00 0.00 C ATOM 390 NZ LYS A 28 14.170 2.346 -3.217 1.00 0.00 N ATOM 0 H LYS A 28 8.822 -1.125 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 28 10.370 1.043 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.065 -1.392 -4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.091 -0.763 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.335 -0.585 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.700 1.048 -5.037 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.180 0.660 -2.553 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.075 -0.841 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.559 0.854 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.110 0.459 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.965 2.888 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.181 2.423 -4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.274 2.727 -2.851 1.00 0.00 H new ATOM 404 N GLU A 29 9.137 1.222 -6.607 1.00 0.00 N ATOM 405 CA GLU A 29 8.982 2.129 -7.727 1.00 0.00 C ATOM 406 C GLU A 29 8.051 3.275 -7.416 1.00 0.00 C ATOM 407 O GLU A 29 8.175 4.331 -8.031 1.00 0.00 O ATOM 408 CB GLU A 29 8.542 1.445 -9.043 1.00 0.00 C ATOM 409 CG GLU A 29 7.201 0.706 -8.964 1.00 0.00 C ATOM 410 CD GLU A 29 6.966 -0.067 -10.257 1.00 0.00 C ATOM 411 OE1 GLU A 29 6.694 0.589 -11.298 1.00 0.00 O ATOM 412 OE2 GLU A 29 7.064 -1.324 -10.224 1.00 0.00 O ATOM 0 H GLU A 29 8.613 0.351 -6.691 1.00 0.00 H new ATOM 0 HA GLU A 29 9.987 2.519 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.479 2.201 -9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.314 0.737 -9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.200 0.023 -8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.391 1.417 -8.801 1.00 0.00 H new ATOM 419 N LYS A 30 7.106 3.127 -6.448 1.00 0.00 N ATOM 420 CA LYS A 30 6.313 4.256 -5.988 1.00 0.00 C ATOM 421 C LYS A 30 7.181 5.109 -5.100 1.00 0.00 C ATOM 422 O LYS A 30 7.158 6.337 -5.162 1.00 0.00 O ATOM 423 CB LYS A 30 5.036 3.875 -5.193 1.00 0.00 C ATOM 424 CG LYS A 30 3.995 3.066 -5.991 1.00 0.00 C ATOM 425 CD LYS A 30 3.443 3.755 -7.249 1.00 0.00 C ATOM 426 CE LYS A 30 2.493 2.832 -8.027 1.00 0.00 C ATOM 427 NZ LYS A 30 2.031 3.462 -9.285 1.00 0.00 N ATOM 0 H LYS A 30 6.891 2.242 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 30 5.973 4.776 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.330 3.298 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.565 4.789 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.445 2.118 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.160 2.831 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.915 4.665 -6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.270 4.054 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.000 1.894 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.632 2.586 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.392 2.811 -9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.526 4.344 -9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.851 3.673 -9.889 1.00 0.00 H new ATOM 441 N GLY A 31 8.011 4.446 -4.277 1.00 0.00 N ATOM 442 CA GLY A 31 9.090 5.096 -3.580 1.00 0.00 C ATOM 443 C GLY A 31 8.878 4.906 -2.125 1.00 0.00 C ATOM 444 O GLY A 31 9.033 5.842 -1.344 1.00 0.00 O ATOM 0 H GLY A 31 7.938 3.446 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.048 4.674 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.117 6.158 -3.825 1.00 0.00 H new ATOM 448 N GLY A 32 8.513 3.671 -1.721 1.00 0.00 N ATOM 449 CA GLY A 32 8.512 3.248 -0.351 1.00 0.00 C ATOM 450 C GLY A 32 9.825 2.568 -0.206 1.00 0.00 C ATOM 451 O GLY A 32 10.252 1.844 -1.105 1.00 0.00 O ATOM 0 H GLY A 32 8.209 2.944 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.418 4.093 0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.683 2.573 -0.138 1.00 0.00 H new ATOM 455 N THR A 33 10.529 2.823 0.910 1.00 0.00 N ATOM 456 CA THR A 33 11.951 2.608 0.979 1.00 0.00 C ATOM 457 C THR A 33 12.194 1.314 1.737 1.00 0.00 C ATOM 458 O THR A 33 13.325 0.894 1.973 1.00 0.00 O ATOM 459 CB THR A 33 12.643 3.825 1.586 1.00 0.00 C ATOM 460 OG1 THR A 33 12.075 5.032 1.061 1.00 0.00 O ATOM 461 CG2 THR A 33 14.147 3.831 1.237 1.00 0.00 C ATOM 0 H THR A 33 10.117 3.180 1.772 1.00 0.00 H new ATOM 0 HA THR A 33 12.388 2.497 -0.013 1.00 0.00 H new ATOM 0 HB THR A 33 12.507 3.772 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.190 5.176 1.456 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.620 4.707 1.680 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.615 2.928 1.630 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.269 3.861 0.154 1.00 0.00 H new ATOM 469 N SER A 34 11.118 0.608 2.131 1.00 0.00 N ATOM 470 CA SER A 34 11.161 -0.791 2.460 1.00 0.00 C ATOM 471 C SER A 34 9.716 -1.119 2.329 1.00 0.00 C ATOM 472 O SER A 34 8.917 -0.182 2.286 1.00 0.00 O ATOM 473 CB SER A 34 11.641 -1.098 3.893 1.00 0.00 C ATOM 474 OG SER A 34 13.029 -0.814 3.993 1.00 0.00 O ATOM 0 H SER A 34 10.189 1.019 2.225 1.00 0.00 H new ATOM 0 HA SER A 34 11.860 -1.352 1.840 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.083 -0.499 4.612 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.453 -2.144 4.136 1.00 0.00 H new ATOM 0 HG SER A 34 13.342 -0.412 3.156 1.00 0.00 H new ATOM 480 N GLY A 35 9.336 -2.417 2.266 1.00 0.00 N ATOM 481 CA GLY A 35 7.965 -2.777 2.087 1.00 0.00 C ATOM 482 C GLY A 35 7.980 -4.254 2.182 1.00 0.00 C ATOM 483 O GLY A 35 9.064 -4.836 2.200 1.00 0.00 O ATOM 0 H GLY A 35 9.977 -3.207 2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.330 -2.332 2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.584 -2.441 1.123 1.00 0.00 H new ATOM 487 N HIS A 36 6.787 -4.879 2.281 1.00 0.00 N ATOM 488 CA HIS A 36 6.617 -6.293 2.459 1.00 0.00 C ATOM 489 C HIS A 36 5.129 -6.408 2.348 1.00 0.00 C ATOM 490 O HIS A 36 4.473 -5.386 2.128 1.00 0.00 O ATOM 491 CB HIS A 36 7.111 -6.874 3.817 1.00 0.00 C ATOM 492 CG HIS A 36 6.551 -6.223 5.060 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.917 -4.974 5.484 1.00 0.00 N ATOM 494 CD2 HIS A 36 5.648 -6.693 5.952 1.00 0.00 C ATOM 495 CE1 HIS A 36 6.248 -4.695 6.595 1.00 0.00 C ATOM 496 NE2 HIS A 36 5.467 -5.721 6.896 1.00 0.00 N ATOM 0 H HIS A 36 5.901 -4.375 2.235 1.00 0.00 H new ATOM 0 HA HIS A 36 7.211 -6.862 1.743 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.866 -7.936 3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.198 -6.796 3.849 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.161 -7.657 5.923 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.327 -3.779 7.162 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.837 -5.777 7.696 1.00 0.00 H new ATOM 505 N CYS A 37 4.554 -7.628 2.489 1.00 0.00 N ATOM 506 CA CYS A 37 3.124 -7.828 2.392 1.00 0.00 C ATOM 507 C CYS A 37 2.519 -7.613 3.742 1.00 0.00 C ATOM 508 O CYS A 37 3.209 -7.642 4.759 1.00 0.00 O ATOM 509 CB CYS A 37 2.736 -9.261 1.956 1.00 0.00 C ATOM 510 SG CYS A 37 3.320 -9.674 0.297 1.00 0.00 S ATOM 0 H CYS A 37 5.081 -8.482 2.671 1.00 0.00 H new ATOM 0 HA CYS A 37 2.761 -7.126 1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.147 -9.976 2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.651 -9.365 1.990 1.00 0.00 H new ATOM 515 N GLY A 38 1.188 -7.418 3.778 1.00 0.00 N ATOM 516 CA GLY A 38 0.461 -7.269 4.992 1.00 0.00 C ATOM 517 C GLY A 38 -0.919 -7.493 4.485 1.00 0.00 C ATOM 518 O GLY A 38 -1.101 -7.765 3.298 1.00 0.00 O ATOM 0 H GLY A 38 0.607 -7.363 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.753 -7.999 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.588 -6.282 5.437 1.00 0.00 H new ATOM 522 N PHE A 39 -1.925 -7.382 5.367 1.00 0.00 N ATOM 523 CA PHE A 39 -3.310 -7.518 5.034 1.00 0.00 C ATOM 524 C PHE A 39 -3.801 -6.355 5.828 1.00 0.00 C ATOM 525 O PHE A 39 -3.280 -6.130 6.929 1.00 0.00 O ATOM 526 CB PHE A 39 -3.909 -8.851 5.567 1.00 0.00 C ATOM 527 CG PHE A 39 -5.287 -9.180 5.044 1.00 0.00 C ATOM 528 CD1 PHE A 39 -6.439 -8.621 5.625 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.448 -10.143 4.031 1.00 0.00 C ATOM 530 CE1 PHE A 39 -7.718 -9.010 5.204 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.722 -10.537 3.605 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.858 -9.972 4.196 1.00 0.00 C ATOM 0 H PHE A 39 -1.768 -7.189 6.356 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.553 -7.535 3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.233 -9.666 5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.950 -8.805 6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.337 -7.882 6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.575 -10.585 3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.594 -8.569 5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.828 -11.274 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.843 -10.278 3.875 1.00 0.00 H new ATOM 542 N LYS A 40 -4.765 -5.586 5.282 1.00 0.00 N ATOM 543 CA LYS A 40 -5.351 -4.465 5.957 1.00 0.00 C ATOM 544 C LYS A 40 -6.719 -4.978 6.260 1.00 0.00 C ATOM 545 O LYS A 40 -7.593 -5.003 5.391 1.00 0.00 O ATOM 546 CB LYS A 40 -5.440 -3.188 5.081 1.00 0.00 C ATOM 547 CG LYS A 40 -5.759 -1.876 5.832 1.00 0.00 C ATOM 548 CD LYS A 40 -7.104 -1.813 6.573 1.00 0.00 C ATOM 549 CE LYS A 40 -7.402 -0.433 7.172 1.00 0.00 C ATOM 550 NZ LYS A 40 -8.616 -0.478 8.019 1.00 0.00 N ATOM 0 H LYS A 40 -5.146 -5.747 4.350 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.764 -4.151 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.492 -3.063 4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.206 -3.345 4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.964 -1.696 6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.728 -1.057 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.904 -2.083 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.107 -2.556 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.551 -0.098 7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.538 0.294 6.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.799 0.467 8.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.430 -0.776 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.473 -1.156 8.795 1.00 0.00 H new ATOM 564 N VAL A 41 -6.951 -5.417 7.515 1.00 0.00 N ATOM 565 CA VAL A 41 -8.222 -5.961 7.915 1.00 0.00 C ATOM 566 C VAL A 41 -9.171 -4.791 7.963 1.00 0.00 C ATOM 567 O VAL A 41 -8.941 -3.826 8.689 1.00 0.00 O ATOM 568 CB VAL A 41 -8.197 -6.689 9.252 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.475 -7.539 9.370 1.00 0.00 C ATOM 570 CG2 VAL A 41 -6.933 -7.573 9.353 1.00 0.00 C ATOM 0 H VAL A 41 -6.254 -5.396 8.259 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.527 -6.725 7.200 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.165 -5.970 10.071 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.473 -8.068 10.323 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.349 -6.891 9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.508 -8.261 8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.926 -8.089 10.313 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.937 -8.307 8.547 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.044 -6.948 9.270 1.00 0.00 H new ATOM 580 N GLY A 42 -10.210 -4.827 7.113 1.00 0.00 N ATOM 581 CA GLY A 42 -11.032 -3.677 6.866 1.00 0.00 C ATOM 582 C GLY A 42 -11.221 -3.628 5.390 1.00 0.00 C ATOM 583 O GLY A 42 -12.303 -3.292 4.917 1.00 0.00 O ATOM 0 H GLY A 42 -10.486 -5.658 6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.989 -3.762 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.553 -2.768 7.230 1.00 0.00 H new ATOM 587 N HIS A 43 -10.166 -3.963 4.611 1.00 0.00 N ATOM 588 CA HIS A 43 -10.274 -4.005 3.174 1.00 0.00 C ATOM 589 C HIS A 43 -9.928 -5.399 2.748 1.00 0.00 C ATOM 590 O HIS A 43 -10.810 -6.174 2.382 1.00 0.00 O ATOM 591 CB HIS A 43 -9.377 -2.976 2.440 1.00 0.00 C ATOM 592 CG HIS A 43 -9.933 -1.571 2.431 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.320 -0.546 1.760 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.103 -1.085 2.913 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.098 0.526 1.828 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.187 0.226 2.524 1.00 0.00 N ATOM 0 H HIS A 43 -9.243 -4.204 4.973 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.293 -3.732 2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.395 -2.964 2.912 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.232 -3.305 1.411 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -11.832 -1.629 3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.880 1.488 1.388 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.956 0.863 2.734 1.00 0.00 H new ATOM 605 N GLY A 44 -8.639 -5.786 2.775 1.00 0.00 N ATOM 606 CA GLY A 44 -8.259 -7.023 2.173 1.00 0.00 C ATOM 607 C GLY A 44 -6.776 -7.022 2.208 1.00 0.00 C ATOM 608 O GLY A 44 -6.173 -6.280 2.986 1.00 0.00 O ATOM 0 H GLY A 44 -7.879 -5.257 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.667 -7.872 2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.630 -7.096 1.151 1.00 0.00 H new ATOM 612 N LEU A 45 -6.168 -7.846 1.324 1.00 0.00 N ATOM 613 CA LEU A 45 -4.746 -8.029 1.153 1.00 0.00 C ATOM 614 C LEU A 45 -4.216 -6.728 0.608 1.00 0.00 C ATOM 615 O LEU A 45 -4.806 -6.193 -0.329 1.00 0.00 O ATOM 616 CB LEU A 45 -4.512 -9.184 0.141 1.00 0.00 C ATOM 617 CG LEU A 45 -3.057 -9.631 -0.133 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.370 -10.292 1.075 1.00 0.00 C ATOM 619 CD2 LEU A 45 -3.018 -10.598 -1.332 1.00 0.00 C ATOM 0 H LEU A 45 -6.708 -8.427 0.682 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.243 -8.286 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.067 -10.053 0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.954 -8.888 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.500 -8.720 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.354 -10.578 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.340 -9.588 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.929 -11.179 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.989 -10.907 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.626 -11.475 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.411 -10.097 -2.217 1.00 0.00 H new ATOM 631 N ALA A 46 -3.148 -6.163 1.208 1.00 0.00 N ATOM 632 CA ALA A 46 -2.723 -4.814 0.953 1.00 0.00 C ATOM 633 C ALA A 46 -1.250 -4.967 0.859 1.00 0.00 C ATOM 634 O ALA A 46 -0.772 -6.069 1.117 1.00 0.00 O ATOM 635 CB ALA A 46 -3.080 -3.841 2.086 1.00 0.00 C ATOM 0 H ALA A 46 -2.566 -6.654 1.886 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.204 -4.391 0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.731 -2.841 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.161 -3.824 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.602 -4.167 3.010 1.00 0.00 H new ATOM 641 N CYS A 47 -0.472 -3.913 0.526 1.00 0.00 N ATOM 642 CA CYS A 47 0.961 -4.097 0.576 1.00 0.00 C ATOM 643 C CYS A 47 1.375 -3.120 1.602 1.00 0.00 C ATOM 644 O CYS A 47 0.605 -2.213 1.904 1.00 0.00 O ATOM 645 CB CYS A 47 1.686 -3.833 -0.748 1.00 0.00 C ATOM 646 SG CYS A 47 1.033 -4.883 -2.060 1.00 0.00 S ATOM 0 H CYS A 47 -0.801 -2.991 0.240 1.00 0.00 H new ATOM 0 HA CYS A 47 1.217 -5.134 0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.574 -2.785 -1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.753 -4.018 -0.626 1.00 0.00 H new ATOM 651 N TRP A 48 2.570 -3.276 2.192 1.00 0.00 N ATOM 652 CA TRP A 48 3.006 -2.410 3.249 1.00 0.00 C ATOM 653 C TRP A 48 4.221 -1.749 2.681 1.00 0.00 C ATOM 654 O TRP A 48 4.932 -2.360 1.881 1.00 0.00 O ATOM 655 CB TRP A 48 3.312 -3.199 4.552 1.00 0.00 C ATOM 656 CG TRP A 48 3.853 -2.359 5.691 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.148 -1.980 5.870 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.095 -1.699 6.716 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.258 -1.132 6.937 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.006 -0.930 7.468 1.00 0.00 C ATOM 661 CE3 TRP A 48 1.738 -1.699 7.016 1.00 0.00 C ATOM 662 CZ2 TRP A 48 3.576 -0.138 8.525 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.304 -0.910 8.091 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.208 -0.139 8.833 1.00 0.00 C ATOM 0 H TRP A 48 3.239 -4.003 1.939 1.00 0.00 H new ATOM 0 HA TRP A 48 2.246 -1.689 3.549 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.398 -3.692 4.885 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.033 -3.984 4.324 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.974 -2.304 5.255 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.124 -0.718 7.282 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.040 -2.288 6.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.274 0.460 9.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.256 -0.897 8.351 1.00 0.00 H new ATOM 0 HH2 TRP A 48 1.846 0.463 9.654 1.00 0.00 H new ATOM 675 N CYS A 49 4.478 -0.485 3.093 1.00 0.00 N ATOM 676 CA CYS A 49 5.679 0.220 2.750 1.00 0.00 C ATOM 677 C CYS A 49 6.026 0.991 3.978 1.00 0.00 C ATOM 678 O CYS A 49 5.138 1.438 4.704 1.00 0.00 O ATOM 679 CB CYS A 49 5.522 1.269 1.630 1.00 0.00 C ATOM 680 SG CYS A 49 5.292 0.552 -0.017 1.00 0.00 S ATOM 0 H CYS A 49 3.837 0.054 3.675 1.00 0.00 H new ATOM 0 HA CYS A 49 6.410 -0.510 2.402 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.669 1.908 1.860 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.405 1.908 1.618 1.00 0.00 H new ATOM 685 N ASN A 50 7.339 1.190 4.201 1.00 0.00 N ATOM 686 CA ASN A 50 7.846 2.100 5.193 1.00 0.00 C ATOM 687 C ASN A 50 8.485 3.144 4.340 1.00 0.00 C ATOM 688 O ASN A 50 9.131 2.818 3.345 1.00 0.00 O ATOM 689 CB ASN A 50 8.967 1.538 6.120 1.00 0.00 C ATOM 690 CG ASN A 50 8.391 1.031 7.447 1.00 0.00 C ATOM 691 OD1 ASN A 50 7.475 0.202 7.467 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.941 1.528 8.595 1.00 0.00 N ATOM 0 H ASN A 50 8.071 0.707 3.680 1.00 0.00 H new ATOM 0 HA ASN A 50 7.043 2.396 5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.488 0.725 5.613 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.705 2.316 6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.596 1.215 9.503 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.696 2.212 8.544 1.00 0.00 H new ATOM 699 N ALA A 51 8.330 4.423 4.740 1.00 0.00 N ATOM 700 CA ALA A 51 9.013 5.570 4.204 1.00 0.00 C ATOM 701 C ALA A 51 8.596 5.820 2.787 1.00 0.00 C ATOM 702 O ALA A 51 9.411 5.676 1.872 1.00 0.00 O ATOM 703 CB ALA A 51 10.549 5.515 4.343 1.00 0.00 C ATOM 0 H ALA A 51 7.684 4.674 5.488 1.00 0.00 H new ATOM 0 HA ALA A 51 8.705 6.416 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.986 6.417 3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.817 5.448 5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.931 4.641 3.816 1.00 0.00 H new ATOM 709 N LEU A 52 7.301 6.187 2.626 1.00 0.00 N ATOM 710 CA LEU A 52 6.703 6.620 1.382 1.00 0.00 C ATOM 711 C LEU A 52 6.585 8.107 1.517 1.00 0.00 C ATOM 712 O LEU A 52 6.201 8.550 2.599 1.00 0.00 O ATOM 713 CB LEU A 52 5.241 6.144 1.166 1.00 0.00 C ATOM 714 CG LEU A 52 5.107 4.735 0.558 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.693 4.191 0.798 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.413 4.722 -0.951 1.00 0.00 C ATOM 0 H LEU A 52 6.637 6.182 3.400 1.00 0.00 H new ATOM 0 HA LEU A 52 7.313 6.231 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.722 6.162 2.124 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.734 6.856 0.515 1.00 0.00 H new ATOM 0 HG LEU A 52 5.841 4.099 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.608 3.195 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.500 4.138 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.964 4.853 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.306 3.708 -1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.717 5.382 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.433 5.067 -1.118 1.00 0.00 H new ATOM 728 N PRO A 53 6.857 8.919 0.510 1.00 0.00 N ATOM 729 CA PRO A 53 6.708 10.355 0.606 1.00 0.00 C ATOM 730 C PRO A 53 5.251 10.742 0.606 1.00 0.00 C ATOM 731 O PRO A 53 4.367 9.929 0.342 1.00 0.00 O ATOM 732 CB PRO A 53 7.410 10.876 -0.657 1.00 0.00 C ATOM 733 CG PRO A 53 7.234 9.752 -1.684 1.00 0.00 C ATOM 734 CD PRO A 53 7.276 8.491 -0.826 1.00 0.00 C ATOM 0 HA PRO A 53 7.128 10.765 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.961 11.806 -1.006 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.464 11.081 -0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.291 9.842 -2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.029 9.759 -2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.609 7.724 -1.221 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.278 8.062 -0.806 1.00 0.00 H new ATOM 742 N ASP A 54 4.980 12.020 0.897 1.00 0.00 N ATOM 743 CA ASP A 54 3.643 12.517 1.091 1.00 0.00 C ATOM 744 C ASP A 54 2.902 12.713 -0.209 1.00 0.00 C ATOM 745 O ASP A 54 1.740 13.110 -0.205 1.00 0.00 O ATOM 746 CB ASP A 54 3.635 13.873 1.825 1.00 0.00 C ATOM 747 CG ASP A 54 4.389 13.781 3.159 1.00 0.00 C ATOM 748 OD1 ASP A 54 5.647 13.854 3.134 1.00 0.00 O ATOM 749 OD2 ASP A 54 3.719 13.634 4.215 1.00 0.00 O ATOM 0 H ASP A 54 5.701 12.733 1.002 1.00 0.00 H new ATOM 0 HA ASP A 54 3.146 11.753 1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.095 14.634 1.195 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.607 14.187 2.005 1.00 0.00 H new ATOM 754 N ASN A 55 3.545 12.424 -1.363 1.00 0.00 N ATOM 755 CA ASN A 55 2.900 12.523 -2.657 1.00 0.00 C ATOM 756 C ASN A 55 2.196 11.235 -2.988 1.00 0.00 C ATOM 757 O ASN A 55 1.657 11.086 -4.082 1.00 0.00 O ATOM 758 CB ASN A 55 3.858 12.896 -3.829 1.00 0.00 C ATOM 759 CG ASN A 55 5.015 11.900 -4.011 1.00 0.00 C ATOM 760 OD1 ASN A 55 6.092 12.134 -3.455 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.786 10.795 -4.776 1.00 0.00 N ATOM 0 H ASN A 55 4.518 12.119 -1.406 1.00 0.00 H new ATOM 0 HA ASN A 55 2.190 13.345 -2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.285 12.949 -4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.268 13.890 -3.651 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.527 10.107 -4.914 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.874 10.656 -5.211 1.00 0.00 H new ATOM 768 N VAL A 56 2.205 10.261 -2.058 1.00 0.00 N ATOM 769 CA VAL A 56 1.552 8.997 -2.233 1.00 0.00 C ATOM 770 C VAL A 56 0.319 9.144 -1.381 1.00 0.00 C ATOM 771 O VAL A 56 0.352 9.834 -0.364 1.00 0.00 O ATOM 772 CB VAL A 56 2.443 7.838 -1.789 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.901 6.503 -2.339 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.879 8.119 -2.291 1.00 0.00 C ATOM 0 H VAL A 56 2.679 10.354 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 56 1.319 8.763 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 56 2.450 7.755 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.546 5.687 -2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.891 6.338 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.882 6.539 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.537 7.305 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.876 8.196 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.238 9.055 -1.862 1.00 0.00 H new ATOM 784 N GLY A 57 -0.805 8.506 -1.762 1.00 0.00 N ATOM 785 CA GLY A 57 -2.004 8.488 -0.979 1.00 0.00 C ATOM 786 C GLY A 57 -2.213 7.027 -1.002 1.00 0.00 C ATOM 787 O GLY A 57 -1.818 6.385 -1.978 1.00 0.00 O ATOM 0 H GLY A 57 -0.882 7.989 -2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.866 8.886 0.026 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.822 9.046 -1.434 1.00 0.00 H new ATOM 791 N ILE A 58 -2.722 6.482 0.111 1.00 0.00 N ATOM 792 CA ILE A 58 -2.514 5.114 0.482 1.00 0.00 C ATOM 793 C ILE A 58 -3.830 4.686 1.080 1.00 0.00 C ATOM 794 O ILE A 58 -4.891 5.097 0.608 1.00 0.00 O ATOM 795 CB ILE A 58 -1.309 4.986 1.425 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.370 5.896 2.679 1.00 0.00 C ATOM 797 CG2 ILE A 58 -0.015 5.281 0.631 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.193 5.655 3.630 1.00 0.00 C ATOM 0 H ILE A 58 -3.295 7.003 0.775 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.255 4.462 -0.352 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.324 3.964 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.374 6.940 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.305 5.718 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.846 5.192 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.081 4.567 -0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.059 6.292 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.281 6.316 4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.202 4.618 3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.743 5.860 3.110 1.00 0.00 H new ATOM 810 N ILE A 59 -3.795 3.867 2.155 1.00 0.00 N ATOM 811 CA ILE A 59 -4.933 3.556 3.000 1.00 0.00 C ATOM 812 C ILE A 59 -5.211 4.839 3.750 1.00 0.00 C ATOM 813 O ILE A 59 -4.376 5.330 4.510 1.00 0.00 O ATOM 814 CB ILE A 59 -4.678 2.358 3.933 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.915 1.005 3.210 1.00 0.00 C ATOM 816 CG2 ILE A 59 -5.577 2.384 5.192 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.117 0.760 1.933 1.00 0.00 C ATOM 0 H ILE A 59 -2.940 3.398 2.454 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.795 3.235 2.415 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.634 2.447 4.233 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.690 0.201 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.975 0.930 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.356 1.517 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.385 3.296 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.624 2.357 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.373 -0.218 1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.356 1.532 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.051 0.791 2.158 1.00 0.00 H new ATOM 829 N VAL A 60 -6.379 5.442 3.458 1.00 0.00 N ATOM 830 CA VAL A 60 -6.655 6.828 3.743 1.00 0.00 C ATOM 831 C VAL A 60 -7.697 6.888 4.815 1.00 0.00 C ATOM 832 O VAL A 60 -7.864 7.879 5.523 1.00 0.00 O ATOM 833 CB VAL A 60 -7.001 7.518 2.416 1.00 0.00 C ATOM 834 CG1 VAL A 60 -8.144 8.546 2.478 1.00 0.00 C ATOM 835 CG2 VAL A 60 -5.695 8.127 1.866 1.00 0.00 C ATOM 0 H VAL A 60 -7.157 4.957 3.011 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.804 7.378 4.146 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.406 6.763 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.305 8.972 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.057 8.055 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.881 9.341 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.898 8.629 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.300 8.848 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.963 7.335 1.707 1.00 0.00 H new