USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 577 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 72 ASN : amide:sc= 1.64 K(o=2.6,f=-6.4!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.925 K(o=2.6,f=0.84) USER MOD Set 2.1: A 42 HIS : no HE2:sc= 0.616 K(o=2.9,f=-5.7!) USER MOD Set 2.2: A 45 ASN : amide:sc= 2.28 K(o=2.9,f=-9.1!) USER MOD Set 3.1: A 24 THR OG1 : rot -66:sc= 2.32 USER MOD Set 3.2: A 25 LYS NZ :NH3+ -178:sc= 2.13 (180deg=0.924) USER MOD Set 4.1: A 13 THR OG1 : rot -140:sc= 0.797 USER MOD Set 4.2: A 69 LYS NZ :NH3+ -149:sc= 0.504! (180deg=-0.953) USER MOD Single : A 5 ASN : amide:sc= 1.54 K(o=1.5,f=-3.9!) USER MOD Single : A 18 LYS NZ :NH3+ 139:sc= 0.775 (180deg=-1.89!) USER MOD Single : A 19 TYR OH : rot -23:sc= 0.885 USER MOD Single : A 20 ASN : amide:sc= 0.283 K(o=0.28,f=-9.5!) USER MOD Single : A 21 GLN : amide:sc= -0.0992 K(o=-0.099,f=-1.6) USER MOD Single : A 26 SER OG : rot 148:sc= 1.49 USER MOD Single : A 41 GLN : amide:sc= 2.16 K(o=2.2,f=-5.9!) USER MOD Single : A 43 CYS SG : rot -160:sc= 0.0249 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.37 USER MOD Single : A 47 GLN : amide:sc= 0.0953 X(o=0.095,f=-0.39) USER MOD Single : A 49 MET CE :methyl 170:sc=-0.00946 (180deg=-0.154) USER MOD Single : A 50 GLN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : A 57 THR OG1 : rot 120:sc= 0.957 USER MOD Single : A 61 LYS NZ :NH3+ -118:sc= 1.25 (180deg=0.524) USER MOD Single : A 63 CYS SG : rot -61:sc= -0.483 USER MOD Single : A 64 GLN : amide:sc= -2.43! C(o=-2.4!,f=-8.8!) USER MOD Single : A 77 CYS SG : rot 180:sc= 0.0998 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 83 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 -2.356 7.704 12.613 1.00 0.00 N ATOM 15 CA ALA A 2 -3.011 6.503 12.114 1.00 0.00 C ATOM 16 C ALA A 2 -4.518 6.780 12.061 1.00 0.00 C ATOM 17 O ALA A 2 -5.138 6.868 13.118 1.00 0.00 O ATOM 18 CB ALA A 2 -2.694 5.295 13.003 1.00 0.00 C ATOM 0 HA ALA A 2 -2.645 6.259 11.117 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.195 4.411 12.608 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.617 5.126 13.017 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.044 5.488 14.017 1.00 0.00 H new ATOM 24 N PRO A 3 -5.106 7.000 10.875 1.00 0.00 N ATOM 25 CA PRO A 3 -6.520 7.314 10.762 1.00 0.00 C ATOM 26 C PRO A 3 -7.388 6.126 11.161 1.00 0.00 C ATOM 27 O PRO A 3 -6.949 4.980 11.134 1.00 0.00 O ATOM 28 CB PRO A 3 -6.761 7.724 9.305 1.00 0.00 C ATOM 29 CG PRO A 3 -5.534 7.230 8.533 1.00 0.00 C ATOM 30 CD PRO A 3 -4.443 7.018 9.583 1.00 0.00 C ATOM 0 HA PRO A 3 -6.794 8.122 11.440 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.676 7.275 8.917 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.873 8.804 9.215 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.752 6.303 8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.222 7.959 7.786 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -3.913 6.082 9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.703 7.817 9.539 1.00 0.00 H new ATOM 38 N ALA A 4 -8.649 6.406 11.500 1.00 0.00 N ATOM 39 CA ALA A 4 -9.623 5.353 11.736 1.00 0.00 C ATOM 40 C ALA A 4 -9.783 4.528 10.457 1.00 0.00 C ATOM 41 O ALA A 4 -9.719 3.303 10.468 1.00 0.00 O ATOM 42 CB ALA A 4 -10.953 5.967 12.179 1.00 0.00 C ATOM 0 H ALA A 4 -9.013 7.352 11.615 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.281 4.693 12.533 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -11.679 5.174 12.355 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -10.804 6.533 13.099 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.324 6.633 11.400 1.00 0.00 H new ATOM 48 N ASN A 5 -9.913 5.224 9.326 1.00 0.00 N ATOM 49 CA ASN A 5 -9.941 4.654 7.985 1.00 0.00 C ATOM 50 C ASN A 5 -8.519 4.398 7.507 1.00 0.00 C ATOM 51 O ASN A 5 -8.145 4.783 6.406 1.00 0.00 O ATOM 52 CB ASN A 5 -10.668 5.589 7.007 1.00 0.00 C ATOM 53 CG ASN A 5 -10.190 7.036 7.094 1.00 0.00 C ATOM 54 OD1 ASN A 5 -10.243 7.659 8.152 1.00 0.00 O ATOM 55 ND2 ASN A 5 -9.687 7.567 5.991 1.00 0.00 N ATOM 0 H ASN A 5 -10.005 6.240 9.323 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.486 3.711 8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.522 5.225 5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.739 5.554 7.208 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.328 8.522 6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.658 7.022 5.130 1.00 0.00 H new ATOM 62 N ALA A 6 -7.722 3.725 8.323 1.00 0.00 N ATOM 63 CA ALA A 6 -6.441 3.189 7.904 1.00 0.00 C ATOM 64 C ALA A 6 -6.632 1.762 7.402 1.00 0.00 C ATOM 65 O ALA A 6 -7.354 0.982 8.021 1.00 0.00 O ATOM 66 CB ALA A 6 -5.485 3.235 9.085 1.00 0.00 C ATOM 0 H ALA A 6 -7.949 3.536 9.299 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.022 3.781 7.091 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.517 2.835 8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.365 4.267 9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.887 2.637 9.902 1.00 0.00 H new ATOM 72 N VAL A 7 -5.992 1.411 6.286 1.00 0.00 N ATOM 73 CA VAL A 7 -6.002 0.040 5.808 1.00 0.00 C ATOM 74 C VAL A 7 -5.202 -0.816 6.783 1.00 0.00 C ATOM 75 O VAL A 7 -3.983 -0.668 6.908 1.00 0.00 O ATOM 76 CB VAL A 7 -5.437 -0.062 4.392 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.343 -1.521 3.928 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.321 0.703 3.404 1.00 0.00 C ATOM 0 H VAL A 7 -5.464 2.059 5.702 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.030 -0.320 5.760 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.437 0.372 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.937 -1.556 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.689 -2.075 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.336 -1.970 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.903 0.619 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.327 0.282 3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.364 1.753 3.692 1.00 0.00 H new ATOM 88 N ALA A 8 -5.926 -1.715 7.443 1.00 0.00 N ATOM 89 CA ALA A 8 -5.415 -2.681 8.395 1.00 0.00 C ATOM 90 C ALA A 8 -4.798 -3.859 7.642 1.00 0.00 C ATOM 91 O ALA A 8 -5.279 -4.228 6.574 1.00 0.00 O ATOM 92 CB ALA A 8 -6.571 -3.153 9.282 1.00 0.00 C ATOM 0 H ALA A 8 -6.936 -1.789 7.318 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.644 -2.229 9.020 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.202 -3.881 10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.995 -2.300 9.811 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.340 -3.614 8.662 1.00 0.00 H new ATOM 98 N ALA A 9 -3.749 -4.472 8.197 1.00 0.00 N ATOM 99 CA ALA A 9 -3.129 -5.654 7.606 1.00 0.00 C ATOM 100 C ALA A 9 -4.170 -6.749 7.347 1.00 0.00 C ATOM 101 O ALA A 9 -4.144 -7.414 6.314 1.00 0.00 O ATOM 102 CB ALA A 9 -2.021 -6.164 8.532 1.00 0.00 C ATOM 0 H ALA A 9 -3.310 -4.163 9.064 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.694 -5.382 6.644 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.557 -7.047 8.092 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.269 -5.386 8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.447 -6.423 9.501 1.00 0.00 H new ATOM 108 N ASP A 10 -5.088 -6.917 8.298 1.00 0.00 N ATOM 109 CA ASP A 10 -6.160 -7.898 8.305 1.00 0.00 C ATOM 110 C ASP A 10 -7.452 -7.367 7.669 1.00 0.00 C ATOM 111 O ASP A 10 -8.480 -8.039 7.754 1.00 0.00 O ATOM 112 CB ASP A 10 -6.405 -8.320 9.764 1.00 0.00 C ATOM 113 CG ASP A 10 -6.788 -7.134 10.643 1.00 0.00 C ATOM 114 OD1 ASP A 10 -5.975 -6.180 10.666 1.00 0.00 O ATOM 115 OD2 ASP A 10 -7.866 -7.196 11.266 1.00 0.00 O ATOM 0 H ASP A 10 -5.099 -6.333 9.134 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.859 -8.753 7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.198 -9.067 9.797 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.506 -8.791 10.161 1.00 0.00 H new ATOM 120 N ASP A 11 -7.430 -6.202 7.002 1.00 0.00 N ATOM 121 CA ASP A 11 -8.577 -5.769 6.206 1.00 0.00 C ATOM 122 C ASP A 11 -8.887 -6.860 5.171 1.00 0.00 C ATOM 123 O ASP A 11 -7.984 -7.533 4.677 1.00 0.00 O ATOM 124 CB ASP A 11 -8.291 -4.396 5.574 1.00 0.00 C ATOM 125 CG ASP A 11 -9.325 -3.866 4.591 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.364 -4.509 4.321 1.00 0.00 O ATOM 127 OD2 ASP A 11 -9.072 -2.776 4.038 1.00 0.00 O ATOM 0 H ASP A 11 -6.641 -5.556 7.000 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.462 -5.637 6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.181 -3.668 6.378 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.331 -4.451 5.061 1.00 0.00 H new ATOM 132 N ALA A 12 -10.155 -7.025 4.810 1.00 0.00 N ATOM 133 CA ALA A 12 -10.563 -8.004 3.814 1.00 0.00 C ATOM 134 C ALA A 12 -9.945 -7.614 2.475 1.00 0.00 C ATOM 135 O ALA A 12 -9.419 -8.448 1.737 1.00 0.00 O ATOM 136 CB ALA A 12 -12.091 -8.048 3.730 1.00 0.00 C ATOM 0 H ALA A 12 -10.927 -6.484 5.200 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.217 -9.000 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.393 -8.782 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.501 -8.328 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.468 -7.065 3.446 1.00 0.00 H new ATOM 142 N THR A 13 -9.980 -6.313 2.183 1.00 0.00 N ATOM 143 CA THR A 13 -9.351 -5.770 0.998 1.00 0.00 C ATOM 144 C THR A 13 -7.834 -5.989 1.080 1.00 0.00 C ATOM 145 O THR A 13 -7.216 -6.422 0.109 1.00 0.00 O ATOM 146 CB THR A 13 -9.734 -4.292 0.897 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.136 -4.141 1.073 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.342 -3.694 -0.456 1.00 0.00 C ATOM 0 H THR A 13 -10.445 -5.616 2.764 1.00 0.00 H new ATOM 0 HA THR A 13 -9.692 -6.273 0.093 1.00 0.00 H new ATOM 0 HB THR A 13 -9.192 -3.763 1.681 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.473 -3.466 0.448 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.631 -2.644 -0.487 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.264 -3.778 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.851 -4.234 -1.254 1.00 0.00 H new ATOM 156 N ALA A 14 -7.226 -5.736 2.244 1.00 0.00 N ATOM 157 CA ALA A 14 -5.794 -5.952 2.407 1.00 0.00 C ATOM 158 C ALA A 14 -5.440 -7.408 2.142 1.00 0.00 C ATOM 159 O ALA A 14 -4.470 -7.685 1.449 1.00 0.00 O ATOM 160 CB ALA A 14 -5.317 -5.552 3.799 1.00 0.00 C ATOM 0 H ALA A 14 -7.701 -5.385 3.076 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.287 -5.318 1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.244 -5.728 3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.525 -4.495 3.965 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.840 -6.147 4.548 1.00 0.00 H new ATOM 166 N ILE A 15 -6.230 -8.336 2.672 1.00 0.00 N ATOM 167 CA ILE A 15 -6.060 -9.759 2.455 1.00 0.00 C ATOM 168 C ILE A 15 -6.121 -10.033 0.953 1.00 0.00 C ATOM 169 O ILE A 15 -5.182 -10.601 0.398 1.00 0.00 O ATOM 170 CB ILE A 15 -7.088 -10.526 3.298 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.595 -10.501 4.754 1.00 0.00 C ATOM 172 CG2 ILE A 15 -7.265 -11.968 2.807 1.00 0.00 C ATOM 173 CD1 ILE A 15 -7.667 -10.946 5.745 1.00 0.00 C ATOM 0 H ILE A 15 -7.021 -8.110 3.276 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.086 -10.116 2.790 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.066 -10.052 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.725 -11.150 4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.269 -9.492 5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.001 -12.477 3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.608 -11.961 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.312 -12.493 2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.265 -10.909 6.757 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.528 -10.282 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.975 -11.966 5.514 1.00 0.00 H new ATOM 185 N ALA A 16 -7.181 -9.582 0.277 1.00 0.00 N ATOM 186 CA ALA A 16 -7.314 -9.744 -1.169 1.00 0.00 C ATOM 187 C ALA A 16 -6.084 -9.224 -1.930 1.00 0.00 C ATOM 188 O ALA A 16 -5.650 -9.844 -2.897 1.00 0.00 O ATOM 189 CB ALA A 16 -8.593 -9.057 -1.655 1.00 0.00 C ATOM 0 H ALA A 16 -7.965 -9.098 0.715 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.380 -10.811 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.686 -9.182 -2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.456 -9.505 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.549 -7.995 -1.415 1.00 0.00 H new ATOM 195 N LEU A 17 -5.522 -8.093 -1.495 1.00 0.00 N ATOM 196 CA LEU A 17 -4.361 -7.467 -2.128 1.00 0.00 C ATOM 197 C LEU A 17 -3.039 -7.975 -1.551 1.00 0.00 C ATOM 198 O LEU A 17 -1.980 -7.623 -2.063 1.00 0.00 O ATOM 199 CB LEU A 17 -4.515 -5.942 -2.106 1.00 0.00 C ATOM 200 CG LEU A 17 -5.805 -5.454 -2.793 1.00 0.00 C ATOM 201 CD1 LEU A 17 -5.797 -3.925 -2.826 1.00 0.00 C ATOM 202 CD2 LEU A 17 -5.958 -5.978 -4.226 1.00 0.00 C ATOM 0 H LEU A 17 -5.866 -7.581 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.323 -7.765 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.509 -5.597 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.655 -5.489 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.645 -5.840 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.705 -3.567 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.752 -3.539 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.927 -3.578 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.886 -5.599 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.115 -5.640 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.982 -7.068 -4.214 1.00 0.00 H new ATOM 214 N LYS A 18 -3.077 -8.831 -0.523 1.00 0.00 N ATOM 215 CA LYS A 18 -1.927 -9.206 0.275 1.00 0.00 C ATOM 216 C LYS A 18 -1.090 -7.973 0.609 1.00 0.00 C ATOM 217 O LYS A 18 0.114 -7.927 0.374 1.00 0.00 O ATOM 218 CB LYS A 18 -1.162 -10.331 -0.420 1.00 0.00 C ATOM 219 CG LYS A 18 -2.018 -11.596 -0.576 1.00 0.00 C ATOM 220 CD LYS A 18 -2.478 -12.279 0.728 1.00 0.00 C ATOM 221 CE LYS A 18 -1.373 -12.804 1.662 1.00 0.00 C ATOM 222 NZ LYS A 18 -0.732 -11.750 2.476 1.00 0.00 N ATOM 0 H LYS A 18 -3.938 -9.289 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.239 -9.610 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.832 -9.993 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.265 -10.568 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.903 -11.340 -1.158 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.452 -12.322 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.087 -11.569 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.125 -13.115 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.798 -13.556 2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.610 -13.303 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.578 -12.103 3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.182 -11.492 2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.348 -10.913 2.507 1.00 0.00 H new ATOM 236 N TYR A 19 -1.767 -6.969 1.163 1.00 0.00 N ATOM 237 CA TYR A 19 -1.143 -5.749 1.626 1.00 0.00 C ATOM 238 C TYR A 19 -0.446 -5.995 2.961 1.00 0.00 C ATOM 239 O TYR A 19 -0.917 -6.794 3.771 1.00 0.00 O ATOM 240 CB TYR A 19 -2.187 -4.622 1.704 1.00 0.00 C ATOM 241 CG TYR A 19 -1.879 -3.457 2.635 1.00 0.00 C ATOM 242 CD1 TYR A 19 -2.219 -3.555 3.998 1.00 0.00 C ATOM 243 CD2 TYR A 19 -1.375 -2.240 2.136 1.00 0.00 C ATOM 244 CE1 TYR A 19 -2.158 -2.427 4.829 1.00 0.00 C ATOM 245 CE2 TYR A 19 -1.299 -1.113 2.977 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.770 -1.186 4.299 1.00 0.00 C ATOM 247 OH TYR A 19 -1.916 -0.049 5.042 1.00 0.00 O ATOM 0 H TYR A 19 -2.777 -6.988 1.301 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.378 -5.431 0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.331 -4.224 0.700 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.136 -5.060 2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.529 -4.506 4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.047 -2.171 1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.409 -2.513 5.876 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.878 -0.191 2.605 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.607 -0.190 5.723 1.00 0.00 H new ATOM 257 N ASN A 20 0.623 -5.241 3.228 1.00 0.00 N ATOM 258 CA ASN A 20 1.016 -4.933 4.595 1.00 0.00 C ATOM 259 C ASN A 20 1.348 -3.446 4.663 1.00 0.00 C ATOM 260 O ASN A 20 1.907 -2.890 3.718 1.00 0.00 O ATOM 261 CB ASN A 20 2.148 -5.830 5.107 1.00 0.00 C ATOM 262 CG ASN A 20 2.354 -5.732 6.613 1.00 0.00 C ATOM 263 OD1 ASN A 20 1.839 -4.838 7.282 1.00 0.00 O ATOM 264 ND2 ASN A 20 3.140 -6.640 7.170 1.00 0.00 N ATOM 0 H ASN A 20 1.228 -4.836 2.513 1.00 0.00 H new ATOM 0 HA ASN A 20 0.188 -5.148 5.271 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.931 -6.865 4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.075 -5.559 4.601 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.328 -6.606 8.172 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.557 -7.374 6.597 1.00 0.00 H new ATOM 271 N GLN A 21 0.975 -2.814 5.777 1.00 0.00 N ATOM 272 CA GLN A 21 1.310 -1.439 6.093 1.00 0.00 C ATOM 273 C GLN A 21 2.803 -1.372 6.414 1.00 0.00 C ATOM 274 O GLN A 21 3.511 -0.492 5.932 1.00 0.00 O ATOM 275 CB GLN A 21 0.428 -0.977 7.265 1.00 0.00 C ATOM 276 CG GLN A 21 0.268 0.545 7.324 1.00 0.00 C ATOM 277 CD GLN A 21 1.379 1.233 8.108 1.00 0.00 C ATOM 278 OE1 GLN A 21 2.382 1.665 7.555 1.00 0.00 O ATOM 279 NE2 GLN A 21 1.191 1.372 9.415 1.00 0.00 N ATOM 0 H GLN A 21 0.415 -3.265 6.501 1.00 0.00 H new ATOM 0 HA GLN A 21 1.119 -0.768 5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.556 -1.438 7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.862 -1.329 8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.248 0.942 6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.693 0.786 7.779 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.346 1.003 9.851 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.892 1.848 9.983 1.00 0.00 H new ATOM 288 N ASP A 22 3.296 -2.341 7.193 1.00 0.00 N ATOM 289 CA ASP A 22 4.724 -2.490 7.400 1.00 0.00 C ATOM 290 C ASP A 22 5.293 -3.314 6.250 1.00 0.00 C ATOM 291 O ASP A 22 5.397 -4.539 6.328 1.00 0.00 O ATOM 292 CB ASP A 22 5.021 -3.124 8.759 1.00 0.00 C ATOM 293 CG ASP A 22 6.519 -3.142 9.024 1.00 0.00 C ATOM 294 OD1 ASP A 22 7.310 -3.023 8.060 1.00 0.00 O ATOM 295 OD2 ASP A 22 6.884 -3.295 10.208 1.00 0.00 O ATOM 0 H ASP A 22 2.723 -3.027 7.685 1.00 0.00 H new ATOM 0 HA ASP A 22 5.203 -1.511 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.513 -2.566 9.546 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.629 -4.141 8.786 1.00 0.00 H new ATOM 300 N ALA A 23 5.673 -2.634 5.171 1.00 0.00 N ATOM 301 CA ALA A 23 6.235 -3.295 4.008 1.00 0.00 C ATOM 302 C ALA A 23 7.461 -4.154 4.340 1.00 0.00 C ATOM 303 O ALA A 23 7.667 -5.163 3.670 1.00 0.00 O ATOM 304 CB ALA A 23 6.537 -2.276 2.915 1.00 0.00 C ATOM 0 H ALA A 23 5.599 -1.620 5.083 1.00 0.00 H new ATOM 0 HA ALA A 23 5.482 -3.990 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.958 -2.786 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.616 -1.769 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.253 -1.543 3.288 1.00 0.00 H new ATOM 310 N THR A 24 8.260 -3.831 5.368 1.00 0.00 N ATOM 311 CA THR A 24 9.409 -4.685 5.695 1.00 0.00 C ATOM 312 C THR A 24 8.952 -6.091 6.084 1.00 0.00 C ATOM 313 O THR A 24 9.734 -7.037 6.025 1.00 0.00 O ATOM 314 CB THR A 24 10.312 -4.082 6.786 1.00 0.00 C ATOM 315 OG1 THR A 24 9.682 -4.070 8.054 1.00 0.00 O ATOM 316 CG2 THR A 24 10.761 -2.664 6.426 1.00 0.00 C ATOM 0 H THR A 24 8.139 -3.015 5.968 1.00 0.00 H new ATOM 0 HA THR A 24 10.013 -4.750 4.790 1.00 0.00 H new ATOM 0 HB THR A 24 11.189 -4.727 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.916 -3.459 8.033 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.397 -2.271 7.220 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.320 -2.686 5.491 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.886 -2.024 6.311 1.00 0.00 H new ATOM 324 N LYS A 25 7.693 -6.218 6.513 1.00 0.00 N ATOM 325 CA LYS A 25 7.077 -7.464 6.920 1.00 0.00 C ATOM 326 C LYS A 25 5.929 -7.801 5.961 1.00 0.00 C ATOM 327 O LYS A 25 5.008 -8.535 6.316 1.00 0.00 O ATOM 328 CB LYS A 25 6.629 -7.279 8.371 1.00 0.00 C ATOM 329 CG LYS A 25 7.867 -7.071 9.264 1.00 0.00 C ATOM 330 CD LYS A 25 7.519 -6.514 10.649 1.00 0.00 C ATOM 331 CE LYS A 25 8.745 -5.847 11.297 1.00 0.00 C ATOM 332 NZ LYS A 25 9.113 -4.571 10.641 1.00 0.00 N ATOM 0 H LYS A 25 7.060 -5.421 6.585 1.00 0.00 H new ATOM 0 HA LYS A 25 7.762 -8.311 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.961 -6.422 8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.068 -8.152 8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.388 -8.021 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.557 -6.389 8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.710 -5.789 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.157 -7.319 11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.539 -5.663 12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.592 -6.531 11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.964 -4.181 11.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.304 -4.741 9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.329 -3.894 10.735 1.00 0.00 H new ATOM 346 N SER A 26 5.988 -7.279 4.734 1.00 0.00 N ATOM 347 CA SER A 26 5.280 -7.848 3.602 1.00 0.00 C ATOM 348 C SER A 26 6.090 -9.024 3.054 1.00 0.00 C ATOM 349 O SER A 26 7.306 -9.111 3.211 1.00 0.00 O ATOM 350 CB SER A 26 5.055 -6.787 2.512 1.00 0.00 C ATOM 351 OG SER A 26 4.632 -7.367 1.295 1.00 0.00 O ATOM 0 H SER A 26 6.532 -6.447 4.504 1.00 0.00 H new ATOM 0 HA SER A 26 4.300 -8.200 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.308 -6.070 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.979 -6.232 2.349 1.00 0.00 H new ATOM 0 HG SER A 26 4.042 -6.743 0.823 1.00 0.00 H new ATOM 357 N GLU A 27 5.385 -9.882 2.328 1.00 0.00 N ATOM 358 CA GLU A 27 5.891 -10.901 1.436 1.00 0.00 C ATOM 359 C GLU A 27 6.512 -10.303 0.163 1.00 0.00 C ATOM 360 O GLU A 27 6.914 -11.062 -0.717 1.00 0.00 O ATOM 361 CB GLU A 27 4.747 -11.870 1.099 1.00 0.00 C ATOM 362 CG GLU A 27 3.549 -11.223 0.379 1.00 0.00 C ATOM 363 CD GLU A 27 2.587 -10.494 1.310 1.00 0.00 C ATOM 364 OE1 GLU A 27 2.874 -9.318 1.628 1.00 0.00 O ATOM 365 OE2 GLU A 27 1.606 -11.141 1.737 1.00 0.00 O ATOM 0 H GLU A 27 4.365 -9.878 2.354 1.00 0.00 H new ATOM 0 HA GLU A 27 6.695 -11.440 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.140 -12.672 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.394 -12.330 2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.922 -10.519 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.001 -11.996 -0.160 1.00 0.00 H new ATOM 372 N ARG A 28 6.611 -8.973 0.033 1.00 0.00 N ATOM 373 CA ARG A 28 7.158 -8.315 -1.144 1.00 0.00 C ATOM 374 C ARG A 28 8.494 -8.918 -1.585 1.00 0.00 C ATOM 375 O ARG A 28 8.725 -9.103 -2.774 1.00 0.00 O ATOM 376 CB ARG A 28 7.247 -6.805 -0.897 1.00 0.00 C ATOM 377 CG ARG A 28 8.148 -6.407 0.272 1.00 0.00 C ATOM 378 CD ARG A 28 8.284 -4.884 0.339 1.00 0.00 C ATOM 379 NE ARG A 28 9.274 -4.499 1.362 1.00 0.00 N ATOM 380 CZ ARG A 28 9.682 -3.253 1.639 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.302 -2.218 0.894 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.552 -3.018 2.625 1.00 0.00 N ATOM 0 H ARG A 28 6.307 -8.322 0.757 1.00 0.00 H new ATOM 0 HA ARG A 28 6.478 -8.485 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.614 -6.322 -1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.244 -6.420 -0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.732 -6.784 1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.131 -6.863 0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.588 -4.497 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.318 -4.437 0.573 1.00 0.00 H new ATOM 0 HE ARG A 28 9.687 -5.253 1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.688 -2.364 0.093 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.625 -1.278 1.124 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.916 -3.793 3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.853 -2.064 2.823 1.00 0.00 H new ATOM 396 N VAL A 29 9.355 -9.257 -0.625 1.00 0.00 N ATOM 397 CA VAL A 29 10.618 -9.955 -0.840 1.00 0.00 C ATOM 398 C VAL A 29 10.403 -11.282 -1.571 1.00 0.00 C ATOM 399 O VAL A 29 11.138 -11.607 -2.499 1.00 0.00 O ATOM 400 CB VAL A 29 11.330 -10.096 0.518 1.00 0.00 C ATOM 401 CG1 VAL A 29 11.947 -11.472 0.788 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.413 -9.025 0.676 1.00 0.00 C ATOM 0 H VAL A 29 9.184 -9.044 0.358 1.00 0.00 H new ATOM 0 HA VAL A 29 11.268 -9.381 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 29 10.538 -9.965 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.424 -11.471 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.166 -12.232 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.690 -11.694 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.903 -9.143 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.150 -9.132 -0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.958 -8.036 0.618 1.00 0.00 H new ATOM 412 N ALA A 30 9.400 -12.052 -1.150 1.00 0.00 N ATOM 413 CA ALA A 30 9.069 -13.329 -1.764 1.00 0.00 C ATOM 414 C ALA A 30 8.487 -13.105 -3.160 1.00 0.00 C ATOM 415 O ALA A 30 8.869 -13.779 -4.112 1.00 0.00 O ATOM 416 CB ALA A 30 8.091 -14.106 -0.876 1.00 0.00 C ATOM 0 H ALA A 30 8.793 -11.802 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 30 9.977 -13.923 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.851 -15.060 -1.346 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.548 -14.286 0.097 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.178 -13.526 -0.746 1.00 0.00 H new ATOM 422 N ALA A 31 7.550 -12.160 -3.277 1.00 0.00 N ATOM 423 CA ALA A 31 6.906 -11.842 -4.545 1.00 0.00 C ATOM 424 C ALA A 31 7.919 -11.332 -5.575 1.00 0.00 C ATOM 425 O ALA A 31 7.819 -11.664 -6.753 1.00 0.00 O ATOM 426 CB ALA A 31 5.800 -10.810 -4.314 1.00 0.00 C ATOM 0 H ALA A 31 7.220 -11.597 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 31 6.466 -12.754 -4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.319 -10.573 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.061 -11.217 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.231 -9.903 -3.890 1.00 0.00 H new ATOM 432 N ALA A 32 8.858 -10.493 -5.123 1.00 0.00 N ATOM 433 CA ALA A 32 9.885 -9.828 -5.916 1.00 0.00 C ATOM 434 C ALA A 32 9.347 -9.346 -7.266 1.00 0.00 C ATOM 435 O ALA A 32 9.873 -9.697 -8.320 1.00 0.00 O ATOM 436 CB ALA A 32 11.115 -10.730 -6.057 1.00 0.00 C ATOM 0 H ALA A 32 8.920 -10.249 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 32 10.197 -8.928 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.874 -10.221 -6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.518 -10.953 -5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.830 -11.659 -6.551 1.00 0.00 H new ATOM 442 N ARG A 33 8.293 -8.523 -7.231 1.00 0.00 N ATOM 443 CA ARG A 33 7.705 -7.977 -8.448 1.00 0.00 C ATOM 444 C ARG A 33 8.774 -7.220 -9.243 1.00 0.00 C ATOM 445 O ARG A 33 9.555 -6.495 -8.631 1.00 0.00 O ATOM 446 CB ARG A 33 6.524 -7.074 -8.116 1.00 0.00 C ATOM 447 CG ARG A 33 5.357 -8.011 -7.829 1.00 0.00 C ATOM 448 CD ARG A 33 4.163 -7.247 -7.300 1.00 0.00 C ATOM 449 NE ARG A 33 3.641 -6.257 -8.257 1.00 0.00 N ATOM 450 CZ ARG A 33 2.811 -6.487 -9.285 1.00 0.00 C ATOM 451 NH1 ARG A 33 2.401 -7.729 -9.555 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.409 -5.460 -10.040 1.00 0.00 N ATOM 0 H ARG A 33 7.834 -8.224 -6.371 1.00 0.00 H new ATOM 0 HA ARG A 33 7.330 -8.796 -9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.742 -6.445 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.295 -6.407 -8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.079 -8.541 -8.740 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.662 -8.764 -7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.371 -7.952 -7.047 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.444 -6.739 -6.377 1.00 0.00 H new ATOM 0 HE ARG A 33 3.943 -5.292 -8.124 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.719 -8.508 -8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.770 -7.899 -10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.733 -4.516 -9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.778 -5.620 -10.825 1.00 0.00 H new ATOM 466 N PRO A 34 8.838 -7.365 -10.573 1.00 0.00 N ATOM 467 CA PRO A 34 9.822 -6.659 -11.373 1.00 0.00 C ATOM 468 C PRO A 34 9.573 -5.150 -11.304 1.00 0.00 C ATOM 469 O PRO A 34 8.429 -4.709 -11.198 1.00 0.00 O ATOM 470 CB PRO A 34 9.671 -7.217 -12.792 1.00 0.00 C ATOM 471 CG PRO A 34 8.216 -7.686 -12.837 1.00 0.00 C ATOM 472 CD PRO A 34 7.961 -8.167 -11.408 1.00 0.00 C ATOM 0 HA PRO A 34 10.841 -6.806 -11.015 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.871 -6.456 -13.546 1.00 0.00 H new ATOM 0 HB3 PRO A 34 10.364 -8.038 -12.976 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.541 -6.877 -13.117 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.073 -8.486 -13.563 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.917 -8.030 -11.127 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.182 -9.229 -11.305 1.00 0.00 H new ATOM 480 N GLY A 35 10.651 -4.363 -11.358 1.00 0.00 N ATOM 481 CA GLY A 35 10.597 -2.911 -11.303 1.00 0.00 C ATOM 482 C GLY A 35 11.806 -2.370 -10.549 1.00 0.00 C ATOM 483 O GLY A 35 12.664 -1.718 -11.136 1.00 0.00 O ATOM 0 H GLY A 35 11.599 -4.729 -11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.576 -2.502 -12.313 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.679 -2.592 -10.810 1.00 0.00 H new ATOM 487 N LEU A 36 11.864 -2.652 -9.247 1.00 0.00 N ATOM 488 CA LEU A 36 12.909 -2.230 -8.320 1.00 0.00 C ATOM 489 C LEU A 36 12.969 -3.328 -7.251 1.00 0.00 C ATOM 490 O LEU A 36 12.047 -4.145 -7.186 1.00 0.00 O ATOM 491 CB LEU A 36 12.553 -0.849 -7.732 1.00 0.00 C ATOM 492 CG LEU A 36 13.586 0.274 -7.923 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.915 0.557 -9.394 1.00 0.00 C ATOM 494 CD2 LEU A 36 13.032 1.557 -7.290 1.00 0.00 C ATOM 0 H LEU A 36 11.144 -3.211 -8.789 1.00 0.00 H new ATOM 0 HA LEU A 36 13.883 -2.112 -8.795 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.612 -0.524 -8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.377 -0.970 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 36 14.510 -0.054 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.650 1.360 -9.455 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.322 -0.343 -9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.008 0.855 -9.919 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.752 2.365 -7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.095 1.827 -7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.855 1.391 -6.227 1.00 0.00 H new ATOM 506 N PRO A 37 14.030 -3.401 -6.437 1.00 0.00 N ATOM 507 CA PRO A 37 14.231 -4.504 -5.517 1.00 0.00 C ATOM 508 C PRO A 37 13.193 -4.397 -4.397 1.00 0.00 C ATOM 509 O PRO A 37 12.740 -3.291 -4.088 1.00 0.00 O ATOM 510 CB PRO A 37 15.682 -4.374 -5.045 1.00 0.00 C ATOM 511 CG PRO A 37 15.974 -2.879 -5.160 1.00 0.00 C ATOM 512 CD PRO A 37 15.011 -2.356 -6.231 1.00 0.00 C ATOM 0 HA PRO A 37 14.090 -5.492 -5.955 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.802 -4.727 -4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.358 -4.962 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.814 -2.373 -4.208 1.00 0.00 H new ATOM 0 HG3 PRO A 37 17.011 -2.702 -5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.533 -1.432 -5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.542 -2.133 -7.156 1.00 0.00 H new ATOM 520 N PRO A 38 12.766 -5.532 -3.817 1.00 0.00 N ATOM 521 CA PRO A 38 11.547 -5.613 -3.032 1.00 0.00 C ATOM 522 C PRO A 38 11.522 -4.557 -1.938 1.00 0.00 C ATOM 523 O PRO A 38 10.524 -3.866 -1.766 1.00 0.00 O ATOM 524 CB PRO A 38 11.460 -7.043 -2.493 1.00 0.00 C ATOM 525 CG PRO A 38 12.866 -7.615 -2.686 1.00 0.00 C ATOM 526 CD PRO A 38 13.440 -6.817 -3.853 1.00 0.00 C ATOM 0 HA PRO A 38 10.668 -5.402 -3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.169 -7.054 -1.443 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.717 -7.627 -3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.471 -7.496 -1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.834 -8.681 -2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.519 -6.697 -3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.263 -7.326 -4.800 1.00 0.00 H new ATOM 534 N GLU A 39 12.632 -4.374 -1.226 1.00 0.00 N ATOM 535 CA GLU A 39 12.633 -3.466 -0.100 1.00 0.00 C ATOM 536 C GLU A 39 12.343 -2.002 -0.462 1.00 0.00 C ATOM 537 O GLU A 39 11.762 -1.276 0.352 1.00 0.00 O ATOM 538 CB GLU A 39 13.830 -3.734 0.810 1.00 0.00 C ATOM 539 CG GLU A 39 13.738 -5.165 1.381 1.00 0.00 C ATOM 540 CD GLU A 39 12.493 -5.336 2.255 1.00 0.00 C ATOM 541 OE1 GLU A 39 12.449 -4.695 3.327 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.496 -5.924 1.780 1.00 0.00 O ATOM 0 H GLU A 39 13.522 -4.836 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 39 11.760 -3.686 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.758 -3.614 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.851 -3.008 1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.712 -5.884 0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.630 -5.383 1.968 1.00 0.00 H new ATOM 549 N GLU A 40 12.630 -1.588 -1.700 1.00 0.00 N ATOM 550 CA GLU A 40 12.265 -0.261 -2.180 1.00 0.00 C ATOM 551 C GLU A 40 10.787 -0.174 -2.582 1.00 0.00 C ATOM 552 O GLU A 40 10.272 0.928 -2.767 1.00 0.00 O ATOM 553 CB GLU A 40 13.155 0.130 -3.363 1.00 0.00 C ATOM 554 CG GLU A 40 14.633 0.229 -2.967 1.00 0.00 C ATOM 555 CD GLU A 40 15.484 0.695 -4.141 1.00 0.00 C ATOM 556 OE1 GLU A 40 15.069 1.686 -4.780 1.00 0.00 O ATOM 557 OE2 GLU A 40 16.518 0.043 -4.392 1.00 0.00 O ATOM 0 H GLU A 40 13.118 -2.161 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 40 12.419 0.437 -1.357 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.042 -0.606 -4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.823 1.087 -3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.744 0.924 -2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.986 -0.742 -2.621 1.00 0.00 H new ATOM 564 N GLN A 41 10.095 -1.303 -2.748 1.00 0.00 N ATOM 565 CA GLN A 41 8.722 -1.321 -3.231 1.00 0.00 C ATOM 566 C GLN A 41 7.764 -0.913 -2.120 1.00 0.00 C ATOM 567 O GLN A 41 7.709 -1.579 -1.087 1.00 0.00 O ATOM 568 CB GLN A 41 8.338 -2.725 -3.710 1.00 0.00 C ATOM 569 CG GLN A 41 9.266 -3.243 -4.808 1.00 0.00 C ATOM 570 CD GLN A 41 8.761 -4.542 -5.424 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.671 -5.024 -5.111 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.564 -5.106 -6.316 1.00 0.00 N ATOM 0 H GLN A 41 10.475 -2.229 -2.550 1.00 0.00 H new ATOM 0 HA GLN A 41 8.652 -0.617 -4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.361 -3.413 -2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.313 -2.711 -4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.362 -2.487 -5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.262 -3.402 -4.394 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.458 -4.671 -6.544 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.288 -5.975 -6.774 1.00 0.00 H new ATOM 581 N HIS A 42 6.973 0.138 -2.330 1.00 0.00 N ATOM 582 CA HIS A 42 5.863 0.477 -1.452 1.00 0.00 C ATOM 583 C HIS A 42 4.919 1.450 -2.163 1.00 0.00 C ATOM 584 O HIS A 42 5.272 1.963 -3.224 1.00 0.00 O ATOM 585 CB HIS A 42 6.360 0.986 -0.083 1.00 0.00 C ATOM 586 CG HIS A 42 7.660 1.749 -0.049 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.246 2.425 -1.099 1.00 0.00 N ATOM 588 CD2 HIS A 42 8.503 1.820 1.026 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.435 2.889 -0.677 1.00 0.00 C ATOM 590 NE2 HIS A 42 9.610 2.538 0.613 1.00 0.00 N ATOM 0 H HIS A 42 7.087 0.777 -3.116 1.00 0.00 H new ATOM 0 HA HIS A 42 5.288 -0.422 -1.231 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.585 1.626 0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.459 0.126 0.579 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.848 2.550 -2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.336 1.398 2.006 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.137 3.452 -1.275 1.00 0.00 H new ATOM 599 N CYS A 43 3.732 1.688 -1.600 1.00 0.00 N ATOM 600 CA CYS A 43 2.692 2.552 -2.147 1.00 0.00 C ATOM 601 C CYS A 43 3.282 3.904 -2.585 1.00 0.00 C ATOM 602 O CYS A 43 2.972 4.417 -3.658 1.00 0.00 O ATOM 603 CB CYS A 43 1.570 2.701 -1.146 1.00 0.00 C ATOM 604 SG CYS A 43 0.776 1.118 -0.713 1.00 0.00 S ATOM 0 H CYS A 43 3.461 1.264 -0.713 1.00 0.00 H new ATOM 0 HA CYS A 43 2.271 2.094 -3.042 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.960 3.164 -0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.818 3.378 -1.551 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.400 1.346 -0.209 1.00 0.00 H new ATOM 609 N ALA A 44 4.205 4.445 -1.783 1.00 0.00 N ATOM 610 CA ALA A 44 4.991 5.640 -2.077 1.00 0.00 C ATOM 611 C ALA A 44 5.460 5.698 -3.535 1.00 0.00 C ATOM 612 O ALA A 44 5.372 6.745 -4.173 1.00 0.00 O ATOM 613 CB ALA A 44 6.211 5.690 -1.151 1.00 0.00 C ATOM 0 H ALA A 44 4.432 4.042 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 44 4.343 6.500 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.798 6.582 -1.370 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.879 5.720 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.825 4.804 -1.310 1.00 0.00 H new ATOM 619 N ASN A 45 5.991 4.580 -4.045 1.00 0.00 N ATOM 620 CA ASN A 45 6.463 4.442 -5.417 1.00 0.00 C ATOM 621 C ASN A 45 5.643 3.385 -6.157 1.00 0.00 C ATOM 622 O ASN A 45 6.181 2.663 -6.994 1.00 0.00 O ATOM 623 CB ASN A 45 7.981 4.180 -5.473 1.00 0.00 C ATOM 624 CG ASN A 45 8.461 2.930 -4.732 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.792 2.401 -3.848 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.672 2.469 -5.013 1.00 0.00 N ATOM 0 H ASN A 45 6.105 3.728 -3.496 1.00 0.00 H new ATOM 0 HA ASN A 45 6.309 5.388 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.280 4.099 -6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.497 5.047 -5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.048 1.675 -4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.227 2.908 -5.747 1.00 0.00 H new ATOM 633 N CYS A 46 4.336 3.340 -5.890 1.00 0.00 N ATOM 634 CA CYS A 46 3.350 2.578 -6.641 1.00 0.00 C ATOM 635 C CYS A 46 2.597 3.535 -7.569 1.00 0.00 C ATOM 636 O CYS A 46 2.567 4.750 -7.354 1.00 0.00 O ATOM 637 CB CYS A 46 2.413 1.926 -5.666 1.00 0.00 C ATOM 638 SG CYS A 46 1.197 0.850 -6.443 1.00 0.00 S ATOM 0 H CYS A 46 3.924 3.856 -5.112 1.00 0.00 H new ATOM 0 HA CYS A 46 3.824 1.805 -7.246 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.994 1.345 -4.949 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.893 2.700 -5.102 1.00 0.00 H new ATOM 0 HG CYS A 46 0.433 0.328 -5.530 1.00 0.00 H new ATOM 643 N GLN A 47 2.032 2.993 -8.642 1.00 0.00 N ATOM 644 CA GLN A 47 1.373 3.762 -9.672 1.00 0.00 C ATOM 645 C GLN A 47 0.246 4.621 -9.098 1.00 0.00 C ATOM 646 O GLN A 47 -0.586 4.154 -8.317 1.00 0.00 O ATOM 647 CB GLN A 47 0.867 2.829 -10.780 1.00 0.00 C ATOM 648 CG GLN A 47 1.060 3.458 -12.167 1.00 0.00 C ATOM 649 CD GLN A 47 2.517 3.639 -12.578 1.00 0.00 C ATOM 650 OE1 GLN A 47 2.844 4.483 -13.403 1.00 0.00 O ATOM 651 NE2 GLN A 47 3.432 2.873 -12.004 1.00 0.00 N ATOM 0 H GLN A 47 2.023 1.988 -8.816 1.00 0.00 H new ATOM 0 HA GLN A 47 2.098 4.449 -10.107 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.400 1.880 -10.731 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.189 2.610 -10.621 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.561 2.834 -12.908 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.567 4.430 -12.184 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.153 2.172 -11.318 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.416 2.984 -12.248 1.00 0.00 H new ATOM 660 N PHE A 48 0.215 5.880 -9.532 1.00 0.00 N ATOM 661 CA PHE A 48 -0.798 6.857 -9.191 1.00 0.00 C ATOM 662 C PHE A 48 -0.672 7.199 -7.697 1.00 0.00 C ATOM 663 O PHE A 48 0.183 8.022 -7.372 1.00 0.00 O ATOM 664 CB PHE A 48 -2.187 6.418 -9.694 1.00 0.00 C ATOM 665 CG PHE A 48 -2.199 5.720 -11.049 1.00 0.00 C ATOM 666 CD1 PHE A 48 -2.035 6.458 -12.235 1.00 0.00 C ATOM 667 CD2 PHE A 48 -2.282 4.313 -11.116 1.00 0.00 C ATOM 668 CE1 PHE A 48 -1.948 5.795 -13.472 1.00 0.00 C ATOM 669 CE2 PHE A 48 -2.119 3.645 -12.342 1.00 0.00 C ATOM 670 CZ PHE A 48 -1.978 4.389 -13.526 1.00 0.00 C ATOM 0 H PHE A 48 0.929 6.255 -10.157 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.645 7.800 -9.715 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.628 5.749 -8.955 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.829 7.297 -9.751 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.976 7.536 -12.196 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.472 3.745 -10.218 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.858 6.367 -14.384 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.102 2.566 -12.374 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.893 3.882 -14.476 1.00 0.00 H new ATOM 680 N MET A 49 -1.434 6.555 -6.801 1.00 0.00 N ATOM 681 CA MET A 49 -1.515 6.855 -5.372 1.00 0.00 C ATOM 682 C MET A 49 -2.285 8.165 -5.179 1.00 0.00 C ATOM 683 O MET A 49 -1.833 9.235 -5.581 1.00 0.00 O ATOM 684 CB MET A 49 -0.142 6.855 -4.674 1.00 0.00 C ATOM 685 CG MET A 49 -0.309 6.884 -3.147 1.00 0.00 C ATOM 686 SD MET A 49 1.211 6.909 -2.155 1.00 0.00 S ATOM 687 CE MET A 49 2.007 8.417 -2.755 1.00 0.00 C ATOM 0 H MET A 49 -2.036 5.777 -7.069 1.00 0.00 H new ATOM 0 HA MET A 49 -2.064 6.052 -4.880 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.420 5.968 -4.967 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.436 7.720 -4.998 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.898 7.763 -2.887 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.892 6.011 -2.853 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.858 8.658 -2.117 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.352 8.264 -3.778 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.292 9.240 -2.732 1.00 0.00 H new ATOM 697 N GLN A 50 -3.473 8.086 -4.582 1.00 0.00 N ATOM 698 CA GLN A 50 -4.368 9.222 -4.471 1.00 0.00 C ATOM 699 C GLN A 50 -4.062 9.981 -3.185 1.00 0.00 C ATOM 700 O GLN A 50 -4.370 9.532 -2.083 1.00 0.00 O ATOM 701 CB GLN A 50 -5.819 8.757 -4.485 1.00 0.00 C ATOM 702 CG GLN A 50 -6.163 8.014 -5.784 1.00 0.00 C ATOM 703 CD GLN A 50 -7.599 7.507 -5.761 1.00 0.00 C ATOM 704 OE1 GLN A 50 -8.540 8.277 -5.920 1.00 0.00 O ATOM 705 NE2 GLN A 50 -7.789 6.207 -5.561 1.00 0.00 N ATOM 0 H GLN A 50 -3.836 7.230 -4.164 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.217 9.885 -5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.000 8.103 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.478 9.618 -4.372 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.023 8.680 -6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.480 7.175 -5.919 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.988 5.589 -5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.736 5.828 -5.537 1.00 0.00 H new ATOM 714 N ALA A 51 -3.476 11.161 -3.337 1.00 0.00 N ATOM 715 CA ALA A 51 -3.286 12.084 -2.234 1.00 0.00 C ATOM 716 C ALA A 51 -4.600 12.787 -1.924 1.00 0.00 C ATOM 717 O ALA A 51 -4.995 12.882 -0.765 1.00 0.00 O ATOM 718 CB ALA A 51 -2.143 13.053 -2.524 1.00 0.00 C ATOM 0 H ALA A 51 -3.120 11.502 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.992 11.533 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.021 13.734 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.220 12.493 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.370 13.625 -3.423 1.00 0.00 H new ATOM 724 N ASP A 52 -5.325 13.206 -2.962 1.00 0.00 N ATOM 725 CA ASP A 52 -6.603 13.884 -2.822 1.00 0.00 C ATOM 726 C ASP A 52 -7.725 12.851 -2.688 1.00 0.00 C ATOM 727 O ASP A 52 -8.730 12.874 -3.393 1.00 0.00 O ATOM 728 CB ASP A 52 -6.811 14.851 -3.993 1.00 0.00 C ATOM 729 CG ASP A 52 -8.030 15.742 -3.774 1.00 0.00 C ATOM 730 OD1 ASP A 52 -8.405 15.923 -2.594 1.00 0.00 O ATOM 731 OD2 ASP A 52 -8.536 16.258 -4.793 1.00 0.00 O ATOM 0 H ASP A 52 -5.034 13.080 -3.931 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.616 14.485 -1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.923 15.471 -4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.934 14.285 -4.916 1.00 0.00 H new ATOM 736 N ALA A 53 -7.513 11.900 -1.777 1.00 0.00 N ATOM 737 CA ALA A 53 -8.470 10.856 -1.427 1.00 0.00 C ATOM 738 C ALA A 53 -9.364 11.248 -0.248 1.00 0.00 C ATOM 739 O ALA A 53 -10.155 10.429 0.213 1.00 0.00 O ATOM 740 CB ALA A 53 -7.700 9.572 -1.110 1.00 0.00 C ATOM 0 H ALA A 53 -6.643 11.835 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.134 10.703 -2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.403 8.782 -0.846 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.124 9.268 -1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.024 9.750 -0.274 1.00 0.00 H new ATOM 746 N ALA A 54 -9.224 12.490 0.228 1.00 0.00 N ATOM 747 CA ALA A 54 -9.790 13.008 1.469 1.00 0.00 C ATOM 748 C ALA A 54 -9.171 12.323 2.695 1.00 0.00 C ATOM 749 O ALA A 54 -8.879 11.131 2.689 1.00 0.00 O ATOM 750 CB ALA A 54 -11.321 12.936 1.474 1.00 0.00 C ATOM 0 H ALA A 54 -8.683 13.195 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.531 14.065 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.701 13.332 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -11.716 13.526 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.637 11.899 1.362 1.00 0.00 H new ATOM 756 N GLY A 55 -8.914 13.094 3.755 1.00 0.00 N ATOM 757 CA GLY A 55 -8.384 12.565 5.007 1.00 0.00 C ATOM 758 C GLY A 55 -6.939 12.059 4.925 1.00 0.00 C ATOM 759 O GLY A 55 -6.417 11.572 5.926 1.00 0.00 O ATOM 0 H GLY A 55 -9.069 14.102 3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.440 13.344 5.768 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.023 11.747 5.340 1.00 0.00 H new ATOM 763 N ALA A 56 -6.278 12.175 3.767 1.00 0.00 N ATOM 764 CA ALA A 56 -4.870 11.841 3.633 1.00 0.00 C ATOM 765 C ALA A 56 -4.048 12.722 4.572 1.00 0.00 C ATOM 766 O ALA A 56 -4.408 13.871 4.824 1.00 0.00 O ATOM 767 CB ALA A 56 -4.417 12.024 2.181 1.00 0.00 C ATOM 0 H ALA A 56 -6.710 12.503 2.903 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.718 10.796 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.360 11.770 2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.001 11.371 1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.567 13.061 1.881 1.00 0.00 H new ATOM 773 N THR A 57 -2.943 12.182 5.077 1.00 0.00 N ATOM 774 CA THR A 57 -2.013 12.880 5.952 1.00 0.00 C ATOM 775 C THR A 57 -0.618 12.766 5.353 1.00 0.00 C ATOM 776 O THR A 57 -0.455 12.300 4.223 1.00 0.00 O ATOM 777 CB THR A 57 -2.054 12.270 7.361 1.00 0.00 C ATOM 778 OG1 THR A 57 -1.488 10.981 7.317 1.00 0.00 O ATOM 779 CG2 THR A 57 -3.478 12.166 7.914 1.00 0.00 C ATOM 0 H THR A 57 -2.664 11.220 4.882 1.00 0.00 H new ATOM 0 HA THR A 57 -2.290 13.931 6.037 1.00 0.00 H new ATOM 0 HB THR A 57 -1.490 12.929 8.021 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.714 10.943 7.917 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.450 11.728 8.912 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.922 13.160 7.966 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.078 11.535 7.258 1.00 0.00 H new ATOM 787 N ASP A 58 0.405 13.148 6.114 1.00 0.00 N ATOM 788 CA ASP A 58 1.803 12.931 5.800 1.00 0.00 C ATOM 789 C ASP A 58 2.021 11.503 5.293 1.00 0.00 C ATOM 790 O ASP A 58 2.448 11.322 4.150 1.00 0.00 O ATOM 791 CB ASP A 58 2.651 13.213 7.050 1.00 0.00 C ATOM 792 CG ASP A 58 2.317 14.556 7.687 1.00 0.00 C ATOM 793 OD1 ASP A 58 1.152 14.679 8.138 1.00 0.00 O ATOM 794 OD2 ASP A 58 3.205 15.431 7.684 1.00 0.00 O ATOM 0 H ASP A 58 0.271 13.636 7.000 1.00 0.00 H new ATOM 0 HA ASP A 58 2.110 13.612 5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.493 12.419 7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.707 13.194 6.781 1.00 0.00 H new ATOM 799 N GLU A 59 1.686 10.496 6.106 1.00 0.00 N ATOM 800 CA GLU A 59 2.103 9.130 5.898 1.00 0.00 C ATOM 801 C GLU A 59 1.015 8.332 5.196 1.00 0.00 C ATOM 802 O GLU A 59 1.285 7.247 4.691 1.00 0.00 O ATOM 803 CB GLU A 59 2.434 8.472 7.245 1.00 0.00 C ATOM 804 CG GLU A 59 2.755 9.404 8.424 1.00 0.00 C ATOM 805 CD GLU A 59 1.489 9.793 9.168 1.00 0.00 C ATOM 806 OE1 GLU A 59 0.753 10.662 8.651 1.00 0.00 O ATOM 807 OE2 GLU A 59 1.223 9.155 10.210 1.00 0.00 O ATOM 0 H GLU A 59 1.108 10.623 6.937 1.00 0.00 H new ATOM 0 HA GLU A 59 2.992 9.138 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.589 7.845 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.287 7.810 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.445 8.909 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.257 10.300 8.058 1.00 0.00 H new ATOM 814 N TRP A 60 -0.219 8.835 5.225 1.00 0.00 N ATOM 815 CA TRP A 60 -1.392 8.069 4.857 1.00 0.00 C ATOM 816 C TRP A 60 -2.055 8.655 3.612 1.00 0.00 C ATOM 817 O TRP A 60 -2.348 9.850 3.583 1.00 0.00 O ATOM 818 CB TRP A 60 -2.315 8.042 6.065 1.00 0.00 C ATOM 819 CG TRP A 60 -1.771 7.308 7.250 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.129 7.872 8.293 1.00 0.00 C ATOM 821 CD2 TRP A 60 -1.817 5.880 7.546 1.00 0.00 C ATOM 822 NE1 TRP A 60 -0.749 6.908 9.192 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.185 5.663 8.804 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.366 4.750 6.903 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.123 4.402 9.409 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.287 3.473 7.488 1.00 0.00 C ATOM 827 CH2 TRP A 60 -1.707 3.306 8.758 1.00 0.00 C ATOM 0 H TRP A 60 -0.426 9.793 5.508 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.128 7.046 4.590 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.536 9.068 6.360 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.260 7.584 5.773 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -0.941 8.930 8.405 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.212 7.091 10.040 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.854 4.867 5.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.633 4.275 10.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -2.674 2.615 6.958 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.711 2.335 9.231 1.00 0.00 H new ATOM 838 N LYS A 61 -2.245 7.831 2.575 1.00 0.00 N ATOM 839 CA LYS A 61 -2.808 8.220 1.283 1.00 0.00 C ATOM 840 C LYS A 61 -3.836 7.185 0.824 1.00 0.00 C ATOM 841 O LYS A 61 -3.904 6.087 1.366 1.00 0.00 O ATOM 842 CB LYS A 61 -1.695 8.368 0.223 1.00 0.00 C ATOM 843 CG LYS A 61 -1.207 9.810 0.058 1.00 0.00 C ATOM 844 CD LYS A 61 -0.118 10.223 1.054 1.00 0.00 C ATOM 845 CE LYS A 61 -0.044 11.753 1.133 1.00 0.00 C ATOM 846 NZ LYS A 61 1.009 12.208 2.061 1.00 0.00 N ATOM 0 H LYS A 61 -2.002 6.841 2.617 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.302 9.185 1.400 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.852 7.735 0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.065 8.004 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.825 9.939 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.057 10.484 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.336 9.808 2.038 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.845 9.818 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.148 12.158 0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.008 12.146 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.577 12.747 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.511 11.383 2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.682 12.815 1.551 1.00 0.00 H new ATOM 860 N GLY A 62 -4.642 7.530 -0.180 1.00 0.00 N ATOM 861 CA GLY A 62 -5.600 6.613 -0.782 1.00 0.00 C ATOM 862 C GLY A 62 -4.951 5.817 -1.913 1.00 0.00 C ATOM 863 O GLY A 62 -3.988 6.280 -2.527 1.00 0.00 O ATOM 0 H GLY A 62 -4.646 8.460 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.983 5.930 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.453 7.172 -1.167 1.00 0.00 H new ATOM 867 N CYS A 63 -5.500 4.635 -2.208 1.00 0.00 N ATOM 868 CA CYS A 63 -5.055 3.765 -3.288 1.00 0.00 C ATOM 869 C CYS A 63 -6.238 3.454 -4.216 1.00 0.00 C ATOM 870 O CYS A 63 -7.403 3.508 -3.813 1.00 0.00 O ATOM 871 CB CYS A 63 -4.389 2.537 -2.710 1.00 0.00 C ATOM 872 SG CYS A 63 -4.060 1.345 -4.030 1.00 0.00 S ATOM 0 H CYS A 63 -6.287 4.251 -1.685 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.303 4.259 -3.903 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.457 2.815 -2.217 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.029 2.087 -1.951 1.00 0.00 H new ATOM 0 HG CYS A 63 -5.182 0.987 -4.581 1.00 0.00 H new ATOM 877 N GLN A 64 -5.942 3.204 -5.492 1.00 0.00 N ATOM 878 CA GLN A 64 -6.907 2.822 -6.509 1.00 0.00 C ATOM 879 C GLN A 64 -7.672 1.570 -6.062 1.00 0.00 C ATOM 880 O GLN A 64 -7.071 0.588 -5.638 1.00 0.00 O ATOM 881 CB GLN A 64 -6.192 2.584 -7.846 1.00 0.00 C ATOM 882 CG GLN A 64 -5.454 3.829 -8.359 1.00 0.00 C ATOM 883 CD GLN A 64 -4.118 4.092 -7.665 1.00 0.00 C ATOM 884 OE1 GLN A 64 -3.931 5.123 -7.026 1.00 0.00 O ATOM 885 NE2 GLN A 64 -3.158 3.184 -7.813 1.00 0.00 N ATOM 0 H GLN A 64 -4.990 3.266 -5.852 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.626 3.629 -6.646 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.479 1.767 -7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.922 2.268 -8.591 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.280 3.720 -9.429 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.097 4.699 -8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.337 2.335 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.242 3.337 -7.391 1.00 0.00 H new ATOM 894 N LEU A 65 -9.007 1.623 -6.123 1.00 0.00 N ATOM 895 CA LEU A 65 -9.894 0.597 -5.577 1.00 0.00 C ATOM 896 C LEU A 65 -9.647 0.349 -4.077 1.00 0.00 C ATOM 897 O LEU A 65 -10.017 -0.697 -3.548 1.00 0.00 O ATOM 898 CB LEU A 65 -9.879 -0.693 -6.430 1.00 0.00 C ATOM 899 CG LEU A 65 -10.951 -0.695 -7.536 1.00 0.00 C ATOM 900 CD1 LEU A 65 -10.596 0.241 -8.696 1.00 0.00 C ATOM 901 CD2 LEU A 65 -11.132 -2.117 -8.082 1.00 0.00 C ATOM 0 H LEU A 65 -9.508 2.396 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.912 0.981 -5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.895 -0.810 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.034 -1.554 -5.780 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.876 -0.335 -7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.384 0.203 -9.449 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.499 1.261 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.653 -0.074 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.891 -2.113 -8.864 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.188 -2.471 -8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.446 -2.779 -7.275 1.00 0.00 H new ATOM 913 N PHE A 66 -9.137 1.359 -3.362 1.00 0.00 N ATOM 914 CA PHE A 66 -9.051 1.382 -1.908 1.00 0.00 C ATOM 915 C PHE A 66 -9.758 2.658 -1.414 1.00 0.00 C ATOM 916 O PHE A 66 -9.110 3.575 -0.919 1.00 0.00 O ATOM 917 CB PHE A 66 -7.557 1.287 -1.507 1.00 0.00 C ATOM 918 CG PHE A 66 -7.147 0.087 -0.673 1.00 0.00 C ATOM 919 CD1 PHE A 66 -7.922 -0.329 0.426 1.00 0.00 C ATOM 920 CD2 PHE A 66 -5.912 -0.541 -0.926 1.00 0.00 C ATOM 921 CE1 PHE A 66 -7.528 -1.452 1.173 1.00 0.00 C ATOM 922 CE2 PHE A 66 -5.481 -1.607 -0.122 1.00 0.00 C ATOM 923 CZ PHE A 66 -6.331 -2.121 0.869 1.00 0.00 C ATOM 0 H PHE A 66 -8.764 2.203 -3.797 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.553 0.537 -1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -6.960 1.287 -2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.295 2.190 -0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.817 0.213 0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.294 -0.200 -1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.148 -1.802 1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.498 -2.031 -0.265 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.066 -3.026 1.395 1.00 0.00 H new ATOM 933 N PRO A 67 -11.090 2.760 -1.584 1.00 0.00 N ATOM 934 CA PRO A 67 -11.817 3.992 -1.325 1.00 0.00 C ATOM 935 C PRO A 67 -12.106 4.170 0.158 1.00 0.00 C ATOM 936 O PRO A 67 -12.401 3.209 0.868 1.00 0.00 O ATOM 937 CB PRO A 67 -13.127 3.874 -2.095 1.00 0.00 C ATOM 938 CG PRO A 67 -13.386 2.366 -2.097 1.00 0.00 C ATOM 939 CD PRO A 67 -11.981 1.764 -2.160 1.00 0.00 C ATOM 0 HA PRO A 67 -11.230 4.856 -1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.933 4.422 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -13.038 4.270 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.919 2.049 -1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.991 2.064 -2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.932 0.829 -1.603 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.700 1.537 -3.188 1.00 0.00 H new ATOM 947 N GLY A 68 -12.029 5.419 0.618 1.00 0.00 N ATOM 948 CA GLY A 68 -12.313 5.851 1.982 1.00 0.00 C ATOM 949 C GLY A 68 -11.168 5.483 2.924 1.00 0.00 C ATOM 950 O GLY A 68 -10.664 6.312 3.681 1.00 0.00 O ATOM 0 H GLY A 68 -11.752 6.195 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.471 6.929 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.237 5.388 2.329 1.00 0.00 H new ATOM 954 N LYS A 69 -10.768 4.216 2.873 1.00 0.00 N ATOM 955 CA LYS A 69 -9.630 3.711 3.613 1.00 0.00 C ATOM 956 C LYS A 69 -8.364 4.384 3.059 1.00 0.00 C ATOM 957 O LYS A 69 -8.336 4.777 1.894 1.00 0.00 O ATOM 958 CB LYS A 69 -9.508 2.182 3.494 1.00 0.00 C ATOM 959 CG LYS A 69 -10.796 1.428 3.131 1.00 0.00 C ATOM 960 CD LYS A 69 -10.647 -0.060 3.476 1.00 0.00 C ATOM 961 CE LYS A 69 -11.650 -0.935 2.706 1.00 0.00 C ATOM 962 NZ LYS A 69 -11.452 -2.366 3.011 1.00 0.00 N ATOM 0 H LYS A 69 -11.235 3.507 2.308 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.761 3.942 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.754 1.956 2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.138 1.792 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.641 1.853 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.008 1.544 2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.632 -0.385 3.247 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.792 -0.200 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.667 -0.642 2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.535 -0.769 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.710 -2.937 2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.454 -2.535 3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.052 -2.635 3.817 1.00 0.00 H new ATOM 976 N LEU A 70 -7.313 4.491 3.869 1.00 0.00 N ATOM 977 CA LEU A 70 -6.037 5.072 3.485 1.00 0.00 C ATOM 978 C LEU A 70 -4.947 4.028 3.699 1.00 0.00 C ATOM 979 O LEU A 70 -4.818 3.488 4.800 1.00 0.00 O ATOM 980 CB LEU A 70 -5.758 6.320 4.332 1.00 0.00 C ATOM 981 CG LEU A 70 -6.787 7.439 4.105 1.00 0.00 C ATOM 982 CD1 LEU A 70 -6.710 8.435 5.264 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.557 8.172 2.779 1.00 0.00 C ATOM 0 H LEU A 70 -7.330 4.166 4.836 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.058 5.369 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.755 6.044 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.762 6.696 4.098 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.776 6.983 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.438 9.231 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.929 7.921 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.709 8.863 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.307 8.954 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.563 8.619 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.637 7.465 1.954 1.00 0.00 H new ATOM 995 N ILE A 71 -4.169 3.738 2.659 1.00 0.00 N ATOM 996 CA ILE A 71 -2.933 2.991 2.801 1.00 0.00 C ATOM 997 C ILE A 71 -1.898 3.904 3.448 1.00 0.00 C ATOM 998 O ILE A 71 -2.042 5.128 3.431 1.00 0.00 O ATOM 999 CB ILE A 71 -2.469 2.415 1.446 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -2.289 3.401 0.274 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.485 1.354 1.002 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -1.162 4.427 0.417 1.00 0.00 C ATOM 0 H ILE A 71 -4.381 4.015 1.700 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.083 2.125 3.446 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.468 2.035 1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.113 2.824 -0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.226 3.940 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.177 0.933 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.533 0.561 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.468 1.813 0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.135 5.063 -0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.339 5.041 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.209 3.908 0.521 1.00 0.00 H new ATOM 1014 N ASN A 72 -0.848 3.324 4.024 1.00 0.00 N ATOM 1015 CA ASN A 72 0.328 4.103 4.382 1.00 0.00 C ATOM 1016 C ASN A 72 1.262 4.093 3.179 1.00 0.00 C ATOM 1017 O ASN A 72 1.449 3.033 2.589 1.00 0.00 O ATOM 1018 CB ASN A 72 1.014 3.487 5.599 1.00 0.00 C ATOM 1019 CG ASN A 72 2.052 4.426 6.204 1.00 0.00 C ATOM 1020 OD1 ASN A 72 3.028 4.795 5.552 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.858 4.812 7.464 1.00 0.00 N ATOM 0 H ASN A 72 -0.789 2.331 4.249 1.00 0.00 H new ATOM 0 HA ASN A 72 0.053 5.126 4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.265 3.241 6.352 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.495 2.552 5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.530 5.432 7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.038 4.487 7.976 1.00 0.00 H new ATOM 1028 N VAL A 73 1.870 5.229 2.827 1.00 0.00 N ATOM 1029 CA VAL A 73 2.845 5.311 1.736 1.00 0.00 C ATOM 1030 C VAL A 73 3.914 4.227 1.864 1.00 0.00 C ATOM 1031 O VAL A 73 4.418 3.696 0.878 1.00 0.00 O ATOM 1032 CB VAL A 73 3.504 6.700 1.689 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.440 7.776 1.539 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.384 7.026 2.904 1.00 0.00 C ATOM 0 H VAL A 73 1.699 6.121 3.292 1.00 0.00 H new ATOM 0 HA VAL A 73 2.304 5.150 0.804 1.00 0.00 H new ATOM 0 HB VAL A 73 4.167 6.680 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.916 8.756 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.884 7.612 0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.756 7.732 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.809 8.023 2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.780 6.992 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.189 6.295 2.977 1.00 0.00 H new ATOM 1044 N ASN A 74 4.282 3.928 3.104 1.00 0.00 N ATOM 1045 CA ASN A 74 5.306 2.938 3.417 1.00 0.00 C ATOM 1046 C ASN A 74 4.853 1.498 3.156 1.00 0.00 C ATOM 1047 O ASN A 74 5.713 0.624 3.083 1.00 0.00 O ATOM 1048 CB ASN A 74 5.733 3.087 4.880 1.00 0.00 C ATOM 1049 CG ASN A 74 6.471 4.389 5.128 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.639 4.540 4.783 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.773 5.333 5.735 1.00 0.00 N ATOM 0 H ASN A 74 3.875 4.370 3.928 1.00 0.00 H new ATOM 0 HA ASN A 74 6.147 3.129 2.750 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.852 3.042 5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.373 2.249 5.158 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.203 6.236 5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.804 5.159 6.002 1.00 0.00 H new ATOM 1058 N GLY A 75 3.547 1.240 3.036 1.00 0.00 N ATOM 1059 CA GLY A 75 2.988 -0.095 2.856 1.00 0.00 C ATOM 1060 C GLY A 75 3.201 -0.630 1.445 1.00 0.00 C ATOM 1061 O GLY A 75 3.781 0.046 0.606 1.00 0.00 O ATOM 0 H GLY A 75 2.837 1.972 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.445 -0.777 3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.921 -0.071 3.075 1.00 0.00 H new ATOM 1065 N TRP A 76 2.763 -1.860 1.183 1.00 0.00 N ATOM 1066 CA TRP A 76 2.905 -2.532 -0.105 1.00 0.00 C ATOM 1067 C TRP A 76 1.679 -3.416 -0.287 1.00 0.00 C ATOM 1068 O TRP A 76 1.135 -3.849 0.727 1.00 0.00 O ATOM 1069 CB TRP A 76 4.176 -3.392 -0.068 1.00 0.00 C ATOM 1070 CG TRP A 76 4.490 -4.218 -1.282 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.416 -3.898 -2.211 1.00 0.00 C ATOM 1072 CD2 TRP A 76 4.010 -5.549 -1.655 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.561 -4.927 -3.118 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.708 -5.971 -2.827 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.109 -6.475 -1.084 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.523 -7.237 -3.399 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 2.929 -7.755 -1.639 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.640 -8.141 -2.788 1.00 0.00 C ATOM 0 H TRP A 76 2.287 -2.431 1.881 1.00 0.00 H new ATOM 0 HA TRP A 76 2.983 -1.821 -0.927 1.00 0.00 H new ATOM 0 HB2 TRP A 76 5.023 -2.732 0.118 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.102 -4.065 0.787 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.965 -2.968 -2.240 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.214 -4.917 -3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.548 -6.195 -0.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 5.053 -7.514 -4.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.239 -8.446 -1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.507 -9.131 -3.200 1.00 0.00 H new ATOM 1089 N CYS A 77 1.289 -3.703 -1.540 1.00 0.00 N ATOM 1090 CA CYS A 77 0.363 -4.774 -1.899 1.00 0.00 C ATOM 1091 C CYS A 77 0.839 -5.489 -3.170 1.00 0.00 C ATOM 1092 O CYS A 77 1.719 -5.002 -3.883 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.063 -4.280 -2.023 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.392 -3.563 -3.648 1.00 0.00 S ATOM 0 H CYS A 77 1.622 -3.178 -2.349 1.00 0.00 H new ATOM 0 HA CYS A 77 0.360 -5.500 -1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.750 -5.108 -1.846 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.257 -3.534 -1.252 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.626 -3.158 -3.702 1.00 0.00 H new ATOM 1099 N ALA A 78 0.254 -6.655 -3.458 1.00 0.00 N ATOM 1100 CA ALA A 78 0.604 -7.508 -4.590 1.00 0.00 C ATOM 1101 C ALA A 78 0.459 -6.795 -5.934 1.00 0.00 C ATOM 1102 O ALA A 78 1.096 -7.183 -6.912 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.254 -8.775 -4.557 1.00 0.00 C ATOM 0 H ALA A 78 -0.500 -7.041 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 78 1.657 -7.770 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.006 -9.413 -5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.073 -9.313 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.308 -8.503 -4.619 1.00 0.00 H new ATOM 1109 N SER A 79 -0.373 -5.757 -5.994 1.00 0.00 N ATOM 1110 CA SER A 79 -0.568 -4.947 -7.185 1.00 0.00 C ATOM 1111 C SER A 79 0.513 -3.872 -7.353 1.00 0.00 C ATOM 1112 O SER A 79 0.429 -3.111 -8.316 1.00 0.00 O ATOM 1113 CB SER A 79 -1.968 -4.322 -7.170 1.00 0.00 C ATOM 1114 OG SER A 79 -2.941 -5.325 -6.938 1.00 0.00 O ATOM 0 H SER A 79 -0.938 -5.454 -5.201 1.00 0.00 H new ATOM 0 HA SER A 79 -0.479 -5.608 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.027 -3.559 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.164 -3.825 -8.120 1.00 0.00 H new ATOM 0 HG SER A 79 -3.833 -4.919 -6.928 1.00 0.00 H new ATOM 1120 N TRP A 80 1.518 -3.788 -6.467 1.00 0.00 N ATOM 1121 CA TRP A 80 2.558 -2.761 -6.541 1.00 0.00 C ATOM 1122 C TRP A 80 3.121 -2.619 -7.961 1.00 0.00 C ATOM 1123 O TRP A 80 3.565 -3.605 -8.551 1.00 0.00 O ATOM 1124 CB TRP A 80 3.685 -3.046 -5.543 1.00 0.00 C ATOM 1125 CG TRP A 80 4.753 -1.997 -5.555 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.714 -0.845 -4.852 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.951 -1.919 -6.384 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.780 -0.047 -5.206 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.587 -0.664 -6.142 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.559 -2.780 -7.324 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.771 -0.291 -6.797 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.749 -2.417 -7.980 1.00 0.00 C ATOM 1133 CH2 TRP A 80 8.362 -1.183 -7.707 1.00 0.00 C ATOM 0 H TRP A 80 1.629 -4.431 -5.683 1.00 0.00 H new ATOM 0 HA TRP A 80 2.091 -1.813 -6.274 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.265 -3.118 -4.540 1.00 0.00 H new ATOM 0 HB3 TRP A 80 4.131 -4.014 -5.773 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.961 -0.588 -4.122 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.952 0.883 -4.825 1.00 0.00 H new ATOM 0 HE3 TRP A 80 6.102 -3.734 -7.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 8.222 0.671 -6.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.194 -3.091 -8.697 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.288 -0.920 -8.197 1.00 0.00 H new ATOM 1144 N THR A 81 3.076 -1.413 -8.524 1.00 0.00 N ATOM 1145 CA THR A 81 3.405 -1.135 -9.917 1.00 0.00 C ATOM 1146 C THR A 81 4.256 0.135 -9.941 1.00 0.00 C ATOM 1147 O THR A 81 3.706 1.217 -9.768 1.00 0.00 O ATOM 1148 CB THR A 81 2.079 -1.023 -10.701 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.473 -2.303 -10.723 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.221 -0.551 -12.150 1.00 0.00 C ATOM 0 H THR A 81 2.801 -0.578 -8.006 1.00 0.00 H new ATOM 0 HA THR A 81 3.988 -1.922 -10.395 1.00 0.00 H new ATOM 0 HB THR A 81 1.486 -0.267 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.005 -2.458 -9.876 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.237 -0.505 -12.616 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.678 0.439 -12.167 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.850 -1.250 -12.700 1.00 0.00 H new ATOM 1158 N LEU A 82 5.579 -0.006 -10.116 1.00 0.00 N ATOM 1159 CA LEU A 82 6.598 1.040 -10.007 1.00 0.00 C ATOM 1160 C LEU A 82 6.136 2.372 -10.603 1.00 0.00 C ATOM 1161 O LEU A 82 6.077 2.502 -11.825 1.00 0.00 O ATOM 1162 CB LEU A 82 7.874 0.550 -10.713 1.00 0.00 C ATOM 1163 CG LEU A 82 9.170 1.334 -10.403 1.00 0.00 C ATOM 1164 CD1 LEU A 82 10.235 0.917 -11.420 1.00 0.00 C ATOM 1165 CD2 LEU A 82 9.071 2.864 -10.440 1.00 0.00 C ATOM 0 H LEU A 82 5.987 -0.911 -10.352 1.00 0.00 H new ATOM 0 HA LEU A 82 6.791 1.226 -8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.034 -0.495 -10.446 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.704 0.582 -11.789 1.00 0.00 H new ATOM 0 HG LEU A 82 9.410 1.081 -9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.160 1.458 -11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.417 -0.155 -11.338 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.888 1.150 -12.427 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.043 3.297 -10.206 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.761 3.185 -11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.338 3.199 -9.706 1.00 0.00 H new ATOM 1177 N LYS A 83 5.836 3.352 -9.743 1.00 0.00 N ATOM 1178 CA LYS A 83 5.443 4.717 -10.081 1.00 0.00 C ATOM 1179 C LYS A 83 6.167 5.267 -11.320 1.00 0.00 C ATOM 1180 O LYS A 83 7.306 5.717 -11.220 1.00 0.00 O ATOM 1181 CB LYS A 83 5.668 5.602 -8.840 1.00 0.00 C ATOM 1182 CG LYS A 83 5.509 7.108 -9.102 1.00 0.00 C ATOM 1183 CD LYS A 83 5.238 7.941 -7.838 1.00 0.00 C ATOM 1184 CE LYS A 83 3.897 7.663 -7.134 1.00 0.00 C ATOM 1185 NZ LYS A 83 2.735 7.688 -8.050 1.00 0.00 N ATOM 0 H LYS A 83 5.864 3.201 -8.735 1.00 0.00 H new ATOM 0 HA LYS A 83 4.388 4.720 -10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.964 5.304 -8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.669 5.416 -8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.414 7.480 -9.582 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.690 7.259 -9.806 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.045 7.763 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.276 8.997 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.946 6.689 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.747 8.404 -6.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.887 7.984 -7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.917 8.359 -8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.584 6.738 -8.445 1.00 0.00 H new