USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 TYR OH : rot 180:sc= -0.945 USER MOD Set 1.2: A 29 THR OG1 : rot 133:sc= 1.14 USER MOD Set 1.3: A 31 THR OG1 : rot 87:sc= 1.18 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.27 K(o=0.27,f=-6.9!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 144:sc= 0.222 (180deg=0.00204) USER MOD Single : A 21 ASN : amide:sc= -1.83! K(o=-1.8!,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.59) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 36:sc= 0.195 USER MOD Single : A 42 THR OG1 : rot -120:sc= 0 USER MOD Single : A 43 THR OG1 : rot 70:sc= -0.104 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.54! K(o=-4.5!,f=-0.74) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -0.0187 (180deg=-0.177) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.217 K(o=-0.22,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.322 3.526 11.169 1.00 0.00 N ATOM 2 CA ARG A 1 5.352 3.623 9.690 1.00 0.00 C ATOM 3 C ARG A 1 6.411 2.670 9.136 1.00 0.00 C ATOM 4 O ARG A 1 7.604 2.961 9.197 1.00 0.00 O ATOM 5 CB ARG A 1 5.661 5.080 9.321 1.00 0.00 C ATOM 6 CG ARG A 1 5.250 5.485 7.917 1.00 0.00 C ATOM 7 CD ARG A 1 5.332 6.994 7.744 1.00 0.00 C ATOM 8 NE ARG A 1 4.849 7.439 6.436 1.00 0.00 N ATOM 9 CZ ARG A 1 4.860 8.711 6.050 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.277 9.646 6.892 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.421 9.056 4.845 1.00 0.00 N ATOM 0 H1 ARG A 1 4.601 4.175 11.545 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.090 2.551 11.448 1.00 0.00 H new ATOM 0 H3 ARG A 1 6.254 3.784 11.553 1.00 0.00 H new ATOM 0 HA ARG A 1 4.393 3.337 9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 1 5.159 5.734 10.034 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.732 5.249 9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.896 4.995 7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.233 5.147 7.719 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.747 7.478 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 1 6.366 7.315 7.874 1.00 0.00 H new ATOM 0 HE ARG A 1 4.486 6.739 5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.587 9.387 7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.288 10.624 6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.071 8.342 4.206 1.00 0.00 H new ATOM 0 HH22 ARG A 1 4.434 10.035 4.559 1.00 0.00 H new ATOM 27 N ILE A 2 5.981 1.513 8.627 1.00 0.00 N ATOM 28 CA ILE A 2 6.913 0.522 8.108 1.00 0.00 C ATOM 29 C ILE A 2 7.413 0.859 6.708 1.00 0.00 C ATOM 30 O ILE A 2 6.764 1.577 5.949 1.00 0.00 O ATOM 31 CB ILE A 2 6.314 -0.913 8.073 1.00 0.00 C ATOM 32 CG1 ILE A 2 4.991 -0.941 7.298 1.00 0.00 C ATOM 33 CG2 ILE A 2 6.116 -1.487 9.476 1.00 0.00 C ATOM 34 CD1 ILE A 2 3.774 -0.598 8.135 1.00 0.00 C ATOM 0 H ILE A 2 4.999 1.245 8.565 1.00 0.00 H new ATOM 0 HA ILE A 2 7.748 0.547 8.808 1.00 0.00 H new ATOM 0 HB ILE A 2 7.037 -1.543 7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.055 -0.240 6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.855 -1.934 6.869 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.696 -2.490 9.403 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.076 -1.532 9.989 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.434 -0.848 10.038 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.880 -0.641 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 2 3.681 -1.313 8.952 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.884 0.407 8.543 1.00 0.00 H new ATOM 46 N PRO A 3 8.601 0.314 6.375 1.00 0.00 N ATOM 47 CA PRO A 3 9.279 0.500 5.076 1.00 0.00 C ATOM 48 C PRO A 3 8.468 0.021 3.870 1.00 0.00 C ATOM 49 O PRO A 3 7.407 -0.591 4.007 1.00 0.00 O ATOM 50 CB PRO A 3 10.549 -0.353 5.216 1.00 0.00 C ATOM 51 CG PRO A 3 10.234 -1.315 6.306 1.00 0.00 C ATOM 52 CD PRO A 3 9.394 -0.541 7.271 1.00 0.00 C ATOM 0 HA PRO A 3 9.452 1.559 4.882 1.00 0.00 H new ATOM 0 HB2 PRO A 3 10.784 -0.870 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.414 0.261 5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.698 -2.184 5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.142 -1.685 6.781 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.763 -1.193 7.876 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.001 0.045 7.961 1.00 0.00 H new ATOM 60 N VAL A 4 9.005 0.295 2.684 1.00 0.00 N ATOM 61 CA VAL A 4 8.378 -0.104 1.427 1.00 0.00 C ATOM 62 C VAL A 4 9.377 -0.907 0.596 1.00 0.00 C ATOM 63 O VAL A 4 10.585 -0.686 0.678 1.00 0.00 O ATOM 64 CB VAL A 4 7.879 1.134 0.623 1.00 0.00 C ATOM 65 CG1 VAL A 4 7.269 0.722 -0.707 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.863 1.921 1.436 1.00 0.00 C ATOM 0 H VAL A 4 9.884 0.798 2.567 1.00 0.00 H new ATOM 0 HA VAL A 4 7.509 -0.721 1.654 1.00 0.00 H new ATOM 0 HB VAL A 4 8.743 1.766 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.931 1.609 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.017 0.200 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.421 0.061 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.525 2.782 0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.011 1.283 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.324 2.263 2.362 1.00 0.00 H new ATOM 76 N LYS A 5 8.871 -1.860 -0.174 1.00 0.00 N ATOM 77 CA LYS A 5 9.719 -2.715 -0.983 1.00 0.00 C ATOM 78 C LYS A 5 9.668 -2.353 -2.465 1.00 0.00 C ATOM 79 O LYS A 5 10.448 -1.532 -2.946 1.00 0.00 O ATOM 80 CB LYS A 5 9.293 -4.175 -0.796 1.00 0.00 C ATOM 81 CG LYS A 5 10.114 -4.950 0.219 1.00 0.00 C ATOM 82 CD LYS A 5 11.575 -5.040 -0.184 1.00 0.00 C ATOM 83 CE LYS A 5 12.421 -5.607 0.950 1.00 0.00 C ATOM 84 NZ LYS A 5 13.811 -5.896 0.517 1.00 0.00 N ATOM 0 H LYS A 5 7.874 -2.059 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 5 10.746 -2.570 -0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.247 -4.198 -0.491 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.355 -4.684 -1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.035 -4.468 1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.705 -5.954 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.674 -5.671 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.942 -4.051 -0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.439 -4.898 1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.960 -6.521 1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.352 -6.280 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.796 -6.592 -0.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.260 -5.019 0.185 1.00 0.00 H new ATOM 98 N TYR A 6 8.769 -3.011 -3.186 1.00 0.00 N ATOM 99 CA TYR A 6 8.628 -2.812 -4.625 1.00 0.00 C ATOM 100 C TYR A 6 7.451 -1.896 -4.943 1.00 0.00 C ATOM 101 O TYR A 6 6.604 -1.642 -4.088 1.00 0.00 O ATOM 102 CB TYR A 6 8.418 -4.168 -5.313 1.00 0.00 C ATOM 103 CG TYR A 6 9.323 -5.279 -4.790 1.00 0.00 C ATOM 104 CD1 TYR A 6 10.653 -5.036 -4.444 1.00 0.00 C ATOM 105 CD2 TYR A 6 8.842 -6.574 -4.644 1.00 0.00 C ATOM 106 CE1 TYR A 6 11.465 -6.051 -3.969 1.00 0.00 C ATOM 107 CE2 TYR A 6 9.651 -7.589 -4.170 1.00 0.00 C ATOM 108 CZ TYR A 6 10.957 -7.323 -3.833 1.00 0.00 C ATOM 109 OH TYR A 6 11.761 -8.338 -3.368 1.00 0.00 O ATOM 0 H TYR A 6 8.120 -3.694 -2.794 1.00 0.00 H new ATOM 0 HA TYR A 6 9.539 -2.342 -4.994 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.379 -4.471 -5.186 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.587 -4.050 -6.383 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.055 -4.039 -4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.817 -6.791 -4.906 1.00 0.00 H new ATOM 0 HE1 TYR A 6 12.492 -5.846 -3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.258 -8.589 -4.064 1.00 0.00 H new ATOM 0 HH TYR A 6 11.247 -9.172 -3.331 1.00 0.00 H new ATOM 119 N GLY A 7 7.403 -1.427 -6.184 1.00 0.00 N ATOM 120 CA GLY A 7 6.329 -0.563 -6.629 1.00 0.00 C ATOM 121 C GLY A 7 6.832 0.727 -7.233 1.00 0.00 C ATOM 122 O GLY A 7 7.965 0.797 -7.715 1.00 0.00 O ATOM 0 H GLY A 7 8.101 -1.634 -6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.723 -1.092 -7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.678 -0.335 -5.785 1.00 0.00 H new ATOM 126 N ASN A 8 5.974 1.740 -7.234 1.00 0.00 N ATOM 127 CA ASN A 8 6.310 3.037 -7.819 1.00 0.00 C ATOM 128 C ASN A 8 6.247 4.171 -6.788 1.00 0.00 C ATOM 129 O ASN A 8 6.343 5.345 -7.151 1.00 0.00 O ATOM 130 CB ASN A 8 5.347 3.341 -8.966 1.00 0.00 C ATOM 131 CG ASN A 8 3.984 3.765 -8.464 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.502 3.279 -7.439 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.328 4.639 -9.202 1.00 0.00 N ATOM 0 H ASN A 8 5.037 1.690 -6.835 1.00 0.00 H new ATOM 0 HA ASN A 8 7.335 2.979 -8.185 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.765 4.130 -9.591 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.243 2.457 -9.596 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.390 4.934 -8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.759 5.020 -10.044 1.00 0.00 H new ATOM 140 N ALA A 9 6.070 3.817 -5.515 1.00 0.00 N ATOM 141 CA ALA A 9 5.982 4.808 -4.437 1.00 0.00 C ATOM 142 C ALA A 9 7.186 5.747 -4.433 1.00 0.00 C ATOM 143 O ALA A 9 8.312 5.321 -4.686 1.00 0.00 O ATOM 144 CB ALA A 9 5.840 4.111 -3.104 1.00 0.00 C ATOM 0 H ALA A 9 5.984 2.850 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 9 5.097 5.420 -4.613 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.775 4.855 -2.310 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.936 3.503 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.707 3.472 -2.933 1.00 0.00 H new ATOM 150 N ASP A 10 6.923 7.027 -4.166 1.00 0.00 N ATOM 151 CA ASP A 10 7.953 8.071 -4.149 1.00 0.00 C ATOM 152 C ASP A 10 9.145 7.701 -3.275 1.00 0.00 C ATOM 153 O ASP A 10 10.290 7.958 -3.630 1.00 0.00 O ATOM 154 CB ASP A 10 7.362 9.387 -3.636 1.00 0.00 C ATOM 155 CG ASP A 10 6.108 9.793 -4.374 1.00 0.00 C ATOM 156 OD1 ASP A 10 5.077 9.112 -4.211 1.00 0.00 O ATOM 157 OD2 ASP A 10 6.151 10.795 -5.112 1.00 0.00 O ATOM 0 H ASP A 10 5.987 7.372 -3.954 1.00 0.00 H new ATOM 0 HA ASP A 10 8.303 8.180 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.137 9.289 -2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.107 10.177 -3.733 1.00 0.00 H new ATOM 162 N GLY A 11 8.868 7.113 -2.126 1.00 0.00 N ATOM 163 CA GLY A 11 9.931 6.738 -1.218 1.00 0.00 C ATOM 164 C GLY A 11 9.503 6.847 0.224 1.00 0.00 C ATOM 165 O GLY A 11 10.260 6.508 1.140 1.00 0.00 O ATOM 0 H GLY A 11 7.927 6.888 -1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.244 5.715 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.797 7.377 -1.389 1.00 0.00 H new ATOM 169 N GLU A 12 8.273 7.309 0.428 1.00 0.00 N ATOM 170 CA GLU A 12 7.718 7.448 1.763 1.00 0.00 C ATOM 171 C GLU A 12 7.225 6.096 2.246 1.00 0.00 C ATOM 172 O GLU A 12 6.932 5.214 1.438 1.00 0.00 O ATOM 173 CB GLU A 12 6.566 8.456 1.766 1.00 0.00 C ATOM 174 CG GLU A 12 6.979 9.868 1.379 1.00 0.00 C ATOM 175 CD GLU A 12 7.832 10.535 2.433 1.00 0.00 C ATOM 176 OE1 GLU A 12 8.927 10.017 2.726 1.00 0.00 O ATOM 177 OE2 GLU A 12 7.410 11.573 2.976 1.00 0.00 O ATOM 0 H GLU A 12 7.642 7.594 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 12 8.496 7.815 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.794 8.112 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.119 8.479 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.529 9.836 0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.086 10.469 1.206 1.00 0.00 H new ATOM 184 N TYR A 13 7.136 5.935 3.556 1.00 0.00 N ATOM 185 CA TYR A 13 6.676 4.676 4.123 1.00 0.00 C ATOM 186 C TYR A 13 5.155 4.580 4.062 1.00 0.00 C ATOM 187 O TYR A 13 4.482 5.548 3.702 1.00 0.00 O ATOM 188 CB TYR A 13 7.174 4.517 5.554 1.00 0.00 C ATOM 189 CG TYR A 13 8.670 4.619 5.681 1.00 0.00 C ATOM 190 CD1 TYR A 13 9.498 3.829 4.902 1.00 0.00 C ATOM 191 CD2 TYR A 13 9.252 5.490 6.588 1.00 0.00 C ATOM 192 CE1 TYR A 13 10.865 3.901 5.018 1.00 0.00 C ATOM 193 CE2 TYR A 13 10.622 5.572 6.710 1.00 0.00 C ATOM 194 CZ TYR A 13 11.425 4.774 5.922 1.00 0.00 C ATOM 195 OH TYR A 13 12.791 4.845 6.040 1.00 0.00 O ATOM 0 H TYR A 13 7.373 6.652 4.242 1.00 0.00 H new ATOM 0 HA TYR A 13 7.089 3.862 3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.711 5.281 6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.849 3.550 5.939 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.061 3.144 4.190 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.624 6.113 7.207 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.496 3.276 4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.064 6.257 7.418 1.00 0.00 H new ATOM 0 HH TYR A 13 13.026 5.510 6.720 1.00 0.00 H new ATOM 205 N CYS A 14 4.621 3.406 4.397 1.00 0.00 N ATOM 206 CA CYS A 14 3.183 3.162 4.365 1.00 0.00 C ATOM 207 C CYS A 14 2.402 4.206 5.154 1.00 0.00 C ATOM 208 O CYS A 14 2.654 4.427 6.340 1.00 0.00 O ATOM 209 CB CYS A 14 2.890 1.772 4.912 1.00 0.00 C ATOM 210 SG CYS A 14 3.514 0.412 3.874 1.00 0.00 S ATOM 0 H CYS A 14 5.172 2.602 4.697 1.00 0.00 H new ATOM 0 HA CYS A 14 2.859 3.232 3.327 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.329 1.686 5.906 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.812 1.660 5.028 1.00 0.00 H new ATOM 215 N LYS A 15 1.446 4.838 4.488 1.00 0.00 N ATOM 216 CA LYS A 15 0.623 5.851 5.126 1.00 0.00 C ATOM 217 C LYS A 15 -0.675 5.223 5.616 1.00 0.00 C ATOM 218 O LYS A 15 -1.496 4.769 4.820 1.00 0.00 O ATOM 219 CB LYS A 15 0.318 6.994 4.150 1.00 0.00 C ATOM 220 CG LYS A 15 0.103 8.345 4.827 1.00 0.00 C ATOM 221 CD LYS A 15 -1.013 8.293 5.860 1.00 0.00 C ATOM 222 CE LYS A 15 -1.114 9.587 6.647 1.00 0.00 C ATOM 223 NZ LYS A 15 -1.986 9.439 7.844 1.00 0.00 N ATOM 0 H LYS A 15 1.223 4.666 3.508 1.00 0.00 H new ATOM 0 HA LYS A 15 1.169 6.262 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.140 7.081 3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.573 6.740 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.028 8.661 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.136 9.095 4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.962 8.097 5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.836 7.464 6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.118 9.901 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.509 10.374 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.603 10.009 8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.947 9.765 7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.018 8.439 8.128 1.00 0.00 H new ATOM 237 N PHE A 16 -0.856 5.202 6.929 1.00 0.00 N ATOM 238 CA PHE A 16 -2.060 4.634 7.521 1.00 0.00 C ATOM 239 C PHE A 16 -2.873 5.726 8.210 1.00 0.00 C ATOM 240 O PHE A 16 -2.337 6.508 9.001 1.00 0.00 O ATOM 241 CB PHE A 16 -1.704 3.535 8.532 1.00 0.00 C ATOM 242 CG PHE A 16 -0.889 2.404 7.960 1.00 0.00 C ATOM 243 CD1 PHE A 16 -0.877 2.141 6.596 1.00 0.00 C ATOM 244 CD2 PHE A 16 -0.139 1.598 8.792 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.131 1.099 6.081 1.00 0.00 C ATOM 246 CE2 PHE A 16 0.609 0.553 8.289 1.00 0.00 C ATOM 247 CZ PHE A 16 0.618 0.298 6.931 1.00 0.00 C ATOM 0 H PHE A 16 -0.186 5.571 7.604 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.656 4.192 6.723 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.152 3.983 9.358 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.626 3.128 8.948 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.459 2.760 5.929 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.137 1.788 9.855 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.131 0.908 5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.188 -0.066 8.958 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.203 -0.518 6.534 1.00 0.00 H new ATOM 257 N PRO A 17 -4.179 5.800 7.919 1.00 0.00 N ATOM 258 CA PRO A 17 -4.850 4.899 6.990 1.00 0.00 C ATOM 259 C PRO A 17 -4.878 5.434 5.557 1.00 0.00 C ATOM 260 O PRO A 17 -4.870 6.649 5.338 1.00 0.00 O ATOM 261 CB PRO A 17 -6.274 4.837 7.557 1.00 0.00 C ATOM 262 CG PRO A 17 -6.468 6.116 8.330 1.00 0.00 C ATOM 263 CD PRO A 17 -5.116 6.778 8.483 1.00 0.00 C ATOM 0 HA PRO A 17 -4.345 3.936 6.917 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.009 4.749 6.757 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.400 3.968 8.203 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.159 6.777 7.807 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.904 5.909 9.307 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.073 7.727 7.948 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.891 6.990 9.528 1.00 0.00 H new ATOM 271 N PHE A 18 -4.932 4.535 4.583 1.00 0.00 N ATOM 272 CA PHE A 18 -4.994 4.946 3.185 1.00 0.00 C ATOM 273 C PHE A 18 -6.329 4.531 2.581 1.00 0.00 C ATOM 274 O PHE A 18 -7.000 3.641 3.103 1.00 0.00 O ATOM 275 CB PHE A 18 -3.823 4.379 2.365 1.00 0.00 C ATOM 276 CG PHE A 18 -3.799 2.880 2.229 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.331 2.079 3.257 1.00 0.00 C ATOM 278 CD2 PHE A 18 -4.238 2.277 1.064 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.298 0.706 3.122 1.00 0.00 C ATOM 280 CE2 PHE A 18 -4.211 0.904 0.922 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.740 0.114 1.953 1.00 0.00 C ATOM 0 H PHE A 18 -4.934 3.526 4.732 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.908 6.032 3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.854 4.817 1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.889 4.701 2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.988 2.534 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.607 2.889 0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.927 0.093 3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.558 0.448 0.006 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.717 -0.960 1.846 1.00 0.00 H new ATOM 291 N LEU A 19 -6.726 5.191 1.503 1.00 0.00 N ATOM 292 CA LEU A 19 -8.003 4.901 0.858 1.00 0.00 C ATOM 293 C LEU A 19 -7.856 3.942 -0.317 1.00 0.00 C ATOM 294 O LEU A 19 -7.124 4.214 -1.269 1.00 0.00 O ATOM 295 CB LEU A 19 -8.651 6.195 0.369 1.00 0.00 C ATOM 296 CG LEU A 19 -10.102 6.060 -0.086 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.013 5.804 1.100 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.550 7.301 -0.831 1.00 0.00 C ATOM 0 H LEU A 19 -6.185 5.931 1.055 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.634 4.421 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.605 6.932 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.062 6.588 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.165 5.209 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.043 5.711 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.712 4.882 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.939 6.635 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.587 7.182 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.467 8.168 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.919 7.446 -1.708 1.00 0.00 H new ATOM 310 N PHE A 20 -8.581 2.835 -0.252 1.00 0.00 N ATOM 311 CA PHE A 20 -8.571 1.837 -1.314 1.00 0.00 C ATOM 312 C PHE A 20 -9.998 1.502 -1.716 1.00 0.00 C ATOM 313 O PHE A 20 -10.684 0.771 -0.999 1.00 0.00 O ATOM 314 CB PHE A 20 -7.907 0.553 -0.843 1.00 0.00 C ATOM 315 CG PHE A 20 -7.708 -0.463 -1.924 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.306 -0.103 -3.197 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.937 -1.796 -1.646 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.140 -1.067 -4.175 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.773 -2.761 -2.613 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.373 -2.396 -3.882 1.00 0.00 C ATOM 0 H PHE A 20 -9.190 2.603 0.533 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.017 2.251 -2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.939 0.796 -0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.513 0.112 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.121 0.935 -3.429 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.250 -2.086 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.828 -0.780 -5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.957 -3.799 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.242 -3.149 -4.645 1.00 0.00 H new ATOM 330 N ASN A 21 -10.436 2.022 -2.850 1.00 0.00 N ATOM 331 CA ASN A 21 -11.788 1.763 -3.350 1.00 0.00 C ATOM 332 C ASN A 21 -12.856 2.146 -2.322 1.00 0.00 C ATOM 333 O ASN A 21 -13.922 1.530 -2.267 1.00 0.00 O ATOM 334 CB ASN A 21 -11.958 0.280 -3.726 1.00 0.00 C ATOM 335 CG ASN A 21 -11.136 -0.139 -4.931 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.089 -1.318 -5.284 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.493 0.817 -5.578 1.00 0.00 N ATOM 0 H ASN A 21 -9.877 2.630 -3.449 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.921 2.382 -4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.677 -0.337 -2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.011 0.083 -3.929 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.934 0.589 -6.400 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.556 1.783 -5.255 1.00 0.00 H new ATOM 344 N GLY A 22 -12.572 3.161 -1.515 1.00 0.00 N ATOM 345 CA GLY A 22 -13.530 3.604 -0.513 1.00 0.00 C ATOM 346 C GLY A 22 -13.366 2.923 0.837 1.00 0.00 C ATOM 347 O GLY A 22 -14.281 2.954 1.662 1.00 0.00 O ATOM 0 H GLY A 22 -11.698 3.686 -1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.431 4.681 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.539 3.420 -0.882 1.00 0.00 H new ATOM 351 N LYS A 23 -12.213 2.313 1.075 1.00 0.00 N ATOM 352 CA LYS A 23 -11.958 1.640 2.342 1.00 0.00 C ATOM 353 C LYS A 23 -10.591 2.050 2.879 1.00 0.00 C ATOM 354 O LYS A 23 -9.597 2.002 2.156 1.00 0.00 O ATOM 355 CB LYS A 23 -12.022 0.121 2.152 1.00 0.00 C ATOM 356 CG LYS A 23 -12.112 -0.681 3.445 1.00 0.00 C ATOM 357 CD LYS A 23 -12.201 -2.173 3.161 1.00 0.00 C ATOM 358 CE LYS A 23 -13.428 -2.510 2.324 1.00 0.00 C ATOM 359 NZ LYS A 23 -13.520 -3.962 2.010 1.00 0.00 N ATOM 0 H LYS A 23 -11.441 2.270 0.410 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.722 1.933 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.886 -0.118 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.137 -0.200 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.238 -0.477 4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.986 -0.363 4.013 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.302 -2.499 2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.239 -2.722 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.326 -2.199 2.859 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.398 -1.941 1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.371 -4.141 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.677 -4.256 1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.576 -4.506 2.895 1.00 0.00 H new ATOM 373 N GLU A 24 -10.549 2.469 4.136 1.00 0.00 N ATOM 374 CA GLU A 24 -9.303 2.904 4.755 1.00 0.00 C ATOM 375 C GLU A 24 -8.623 1.763 5.501 1.00 0.00 C ATOM 376 O GLU A 24 -9.248 1.068 6.305 1.00 0.00 O ATOM 377 CB GLU A 24 -9.567 4.074 5.700 1.00 0.00 C ATOM 378 CG GLU A 24 -10.042 5.324 4.987 1.00 0.00 C ATOM 379 CD GLU A 24 -10.371 6.448 5.935 1.00 0.00 C ATOM 380 OE1 GLU A 24 -9.494 6.840 6.727 1.00 0.00 O ATOM 381 OE2 GLU A 24 -11.514 6.938 5.891 1.00 0.00 O ATOM 0 H GLU A 24 -11.363 2.517 4.748 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.629 3.230 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.315 3.777 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.653 4.302 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.271 5.655 4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.925 5.085 4.394 1.00 0.00 H new ATOM 388 N TYR A 25 -7.336 1.574 5.227 1.00 0.00 N ATOM 389 CA TYR A 25 -6.567 0.512 5.867 1.00 0.00 C ATOM 390 C TYR A 25 -5.487 1.077 6.775 1.00 0.00 C ATOM 391 O TYR A 25 -4.703 1.937 6.369 1.00 0.00 O ATOM 392 CB TYR A 25 -5.908 -0.396 4.832 1.00 0.00 C ATOM 393 CG TYR A 25 -6.877 -1.116 3.922 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.459 -0.458 2.849 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.209 -2.448 4.135 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.346 -1.105 2.009 1.00 0.00 C ATOM 397 CE2 TYR A 25 -8.097 -3.101 3.295 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.660 -2.424 2.236 1.00 0.00 C ATOM 399 OH TYR A 25 -9.541 -3.068 1.398 1.00 0.00 O ATOM 0 H TYR A 25 -6.804 2.141 4.567 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.273 -0.067 6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.231 0.202 4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.299 -1.136 5.352 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.215 0.578 2.666 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.770 -2.981 4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.790 -0.577 1.178 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.347 -4.137 3.470 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.656 -3.995 1.694 1.00 0.00 H new ATOM 409 N ASN A 26 -5.433 0.566 7.994 1.00 0.00 N ATOM 410 CA ASN A 26 -4.430 0.993 8.959 1.00 0.00 C ATOM 411 C ASN A 26 -3.301 -0.023 9.010 1.00 0.00 C ATOM 412 O ASN A 26 -2.516 -0.062 9.963 1.00 0.00 O ATOM 413 CB ASN A 26 -5.054 1.160 10.343 1.00 0.00 C ATOM 414 CG ASN A 26 -5.949 2.377 10.434 1.00 0.00 C ATOM 415 OD1 ASN A 26 -5.471 3.508 10.456 1.00 0.00 O ATOM 416 ND2 ASN A 26 -7.253 2.155 10.473 1.00 0.00 N ATOM 0 H ASN A 26 -6.074 -0.148 8.341 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.029 1.957 8.646 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.633 0.269 10.587 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.262 1.239 11.088 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.903 2.940 10.523 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.608 1.199 10.453 1.00 0.00 H new ATOM 423 N SER A 27 -3.238 -0.841 7.971 1.00 0.00 N ATOM 424 CA SER A 27 -2.229 -1.879 7.838 1.00 0.00 C ATOM 425 C SER A 27 -2.112 -2.283 6.374 1.00 0.00 C ATOM 426 O SER A 27 -2.896 -1.827 5.538 1.00 0.00 O ATOM 427 CB SER A 27 -2.587 -3.092 8.707 1.00 0.00 C ATOM 428 OG SER A 27 -3.965 -3.425 8.587 1.00 0.00 O ATOM 0 H SER A 27 -3.892 -0.802 7.189 1.00 0.00 H new ATOM 0 HA SER A 27 -1.269 -1.493 8.180 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.977 -3.946 8.412 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.352 -2.877 9.749 1.00 0.00 H new ATOM 0 HG SER A 27 -4.164 -4.202 9.150 1.00 0.00 H new ATOM 434 N CYS A 28 -1.146 -3.127 6.055 1.00 0.00 N ATOM 435 CA CYS A 28 -0.967 -3.566 4.680 1.00 0.00 C ATOM 436 C CYS A 28 -1.987 -4.644 4.340 1.00 0.00 C ATOM 437 O CYS A 28 -2.213 -5.557 5.132 1.00 0.00 O ATOM 438 CB CYS A 28 0.445 -4.104 4.472 1.00 0.00 C ATOM 439 SG CYS A 28 1.758 -2.976 5.032 1.00 0.00 S ATOM 0 H CYS A 28 -0.480 -3.519 6.720 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.116 -2.711 4.020 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.543 -5.051 5.002 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.590 -4.315 3.413 1.00 0.00 H new ATOM 444 N THR A 29 -2.607 -4.539 3.175 1.00 0.00 N ATOM 445 CA THR A 29 -3.603 -5.512 2.765 1.00 0.00 C ATOM 446 C THR A 29 -3.196 -6.197 1.466 1.00 0.00 C ATOM 447 O THR A 29 -2.400 -5.657 0.704 1.00 0.00 O ATOM 448 CB THR A 29 -4.962 -4.819 2.600 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.984 -5.767 2.361 1.00 0.00 O ATOM 450 CG2 THR A 29 -5.004 -3.809 1.467 1.00 0.00 C ATOM 0 H THR A 29 -2.438 -3.793 2.500 1.00 0.00 H new ATOM 0 HA THR A 29 -3.680 -6.278 3.537 1.00 0.00 H new ATOM 0 HB THR A 29 -5.119 -4.288 3.539 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.751 -5.574 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.997 -3.362 1.414 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.264 -3.029 1.647 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.781 -4.310 0.525 1.00 0.00 H new ATOM 458 N ASP A 30 -3.758 -7.377 1.205 1.00 0.00 N ATOM 459 CA ASP A 30 -3.458 -8.101 -0.023 1.00 0.00 C ATOM 460 C ASP A 30 -4.637 -7.949 -0.978 1.00 0.00 C ATOM 461 O ASP A 30 -4.693 -8.590 -2.028 1.00 0.00 O ATOM 462 CB ASP A 30 -3.180 -9.590 0.203 1.00 0.00 C ATOM 463 CG ASP A 30 -2.528 -9.944 1.534 1.00 0.00 C ATOM 464 OD1 ASP A 30 -2.012 -9.050 2.234 1.00 0.00 O ATOM 465 OD2 ASP A 30 -2.516 -11.143 1.871 1.00 0.00 O ATOM 0 H ASP A 30 -4.418 -7.847 1.824 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.547 -7.672 -0.439 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.122 -10.133 0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.538 -9.948 -0.602 1.00 0.00 H new ATOM 470 N THR A 31 -5.578 -7.087 -0.589 1.00 0.00 N ATOM 471 CA THR A 31 -6.770 -6.816 -1.384 1.00 0.00 C ATOM 472 C THR A 31 -6.369 -6.196 -2.716 1.00 0.00 C ATOM 473 O THR A 31 -5.446 -5.386 -2.781 1.00 0.00 O ATOM 474 CB THR A 31 -7.699 -5.874 -0.616 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.963 -6.379 0.683 1.00 0.00 O ATOM 476 CG2 THR A 31 -9.036 -5.651 -1.286 1.00 0.00 C ATOM 0 H THR A 31 -5.533 -6.560 0.283 1.00 0.00 H new ATOM 0 HA THR A 31 -7.298 -7.750 -1.577 1.00 0.00 H new ATOM 0 HB THR A 31 -7.165 -4.924 -0.582 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.264 -6.077 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.637 -4.972 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.880 -5.216 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.556 -6.604 -1.387 1.00 0.00 H new ATOM 484 N GLY A 32 -7.039 -6.606 -3.782 1.00 0.00 N ATOM 485 CA GLY A 32 -6.707 -6.106 -5.095 1.00 0.00 C ATOM 486 C GLY A 32 -5.671 -6.996 -5.746 1.00 0.00 C ATOM 487 O GLY A 32 -5.628 -7.132 -6.969 1.00 0.00 O ATOM 0 H GLY A 32 -7.807 -7.277 -3.759 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.603 -6.066 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.326 -5.088 -5.019 1.00 0.00 H new ATOM 491 N ARG A 33 -4.854 -7.625 -4.908 1.00 0.00 N ATOM 492 CA ARG A 33 -3.818 -8.541 -5.353 1.00 0.00 C ATOM 493 C ARG A 33 -4.363 -9.964 -5.294 1.00 0.00 C ATOM 494 O ARG A 33 -5.466 -10.189 -4.793 1.00 0.00 O ATOM 495 CB ARG A 33 -2.580 -8.418 -4.451 1.00 0.00 C ATOM 496 CG ARG A 33 -1.970 -7.022 -4.399 1.00 0.00 C ATOM 497 CD ARG A 33 -1.199 -6.687 -5.670 1.00 0.00 C ATOM 498 NE ARG A 33 -0.103 -7.629 -5.923 1.00 0.00 N ATOM 499 CZ ARG A 33 0.729 -7.530 -6.958 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.647 -6.484 -7.771 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.656 -8.463 -7.152 1.00 0.00 N ATOM 0 H ARG A 33 -4.895 -7.511 -3.895 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.528 -8.297 -6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.852 -8.719 -3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.822 -9.119 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.761 -6.286 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.302 -6.950 -3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.883 -6.693 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.796 -5.677 -5.592 1.00 0.00 H new ATOM 0 HE ARG A 33 0.029 -8.402 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.051 -5.760 -7.602 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.282 -6.404 -8.565 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.728 -9.252 -6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.295 -8.390 -7.944 1.00 0.00 H new ATOM 515 N SER A 34 -3.609 -10.924 -5.801 1.00 0.00 N ATOM 516 CA SER A 34 -4.061 -12.310 -5.779 1.00 0.00 C ATOM 517 C SER A 34 -2.937 -13.252 -5.355 1.00 0.00 C ATOM 518 O SER A 34 -3.110 -14.472 -5.328 1.00 0.00 O ATOM 519 CB SER A 34 -4.582 -12.715 -7.158 1.00 0.00 C ATOM 520 OG SER A 34 -5.523 -11.770 -7.654 1.00 0.00 O ATOM 0 H SER A 34 -2.694 -10.776 -6.227 1.00 0.00 H new ATOM 0 HA SER A 34 -4.867 -12.388 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.747 -12.800 -7.854 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.048 -13.698 -7.098 1.00 0.00 H new ATOM 0 HG SER A 34 -5.838 -12.054 -8.538 1.00 0.00 H new ATOM 526 N ASP A 35 -1.774 -12.684 -5.058 1.00 0.00 N ATOM 527 CA ASP A 35 -0.612 -13.456 -4.674 1.00 0.00 C ATOM 528 C ASP A 35 -0.295 -13.313 -3.190 1.00 0.00 C ATOM 529 O ASP A 35 0.838 -13.550 -2.774 1.00 0.00 O ATOM 530 CB ASP A 35 0.586 -12.998 -5.486 1.00 0.00 C ATOM 531 CG ASP A 35 0.202 -12.379 -6.811 1.00 0.00 C ATOM 532 OD1 ASP A 35 -0.244 -13.124 -7.706 1.00 0.00 O ATOM 533 OD2 ASP A 35 0.314 -11.143 -6.946 1.00 0.00 O ATOM 0 H ASP A 35 -1.616 -11.676 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.831 -14.506 -4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.156 -12.273 -4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.242 -13.849 -5.666 1.00 0.00 H new ATOM 538 N GLY A 36 -1.286 -12.917 -2.398 1.00 0.00 N ATOM 539 CA GLY A 36 -1.067 -12.748 -0.970 1.00 0.00 C ATOM 540 C GLY A 36 -0.009 -11.704 -0.657 1.00 0.00 C ATOM 541 O GLY A 36 0.656 -11.774 0.378 1.00 0.00 O ATOM 0 H GLY A 36 -2.233 -12.711 -2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.005 -12.462 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.768 -13.703 -0.537 1.00 0.00 H new ATOM 545 N PHE A 37 0.157 -10.736 -1.551 1.00 0.00 N ATOM 546 CA PHE A 37 1.148 -9.691 -1.354 1.00 0.00 C ATOM 547 C PHE A 37 0.518 -8.472 -0.711 1.00 0.00 C ATOM 548 O PHE A 37 -0.331 -7.810 -1.308 1.00 0.00 O ATOM 549 CB PHE A 37 1.806 -9.296 -2.678 1.00 0.00 C ATOM 550 CG PHE A 37 3.204 -9.824 -2.836 1.00 0.00 C ATOM 551 CD1 PHE A 37 3.441 -11.182 -2.992 1.00 0.00 C ATOM 552 CD2 PHE A 37 4.284 -8.958 -2.819 1.00 0.00 C ATOM 553 CE1 PHE A 37 4.730 -11.663 -3.128 1.00 0.00 C ATOM 554 CE2 PHE A 37 5.576 -9.432 -2.955 1.00 0.00 C ATOM 555 CZ PHE A 37 5.800 -10.785 -3.110 1.00 0.00 C ATOM 0 H PHE A 37 -0.380 -10.655 -2.414 1.00 0.00 H new ATOM 0 HA PHE A 37 1.917 -10.087 -0.690 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.193 -9.662 -3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.826 -8.209 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.609 -11.871 -3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.115 -7.898 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.902 -12.722 -3.248 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.409 -8.744 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.808 -11.158 -3.217 1.00 0.00 H new ATOM 565 N LEU A 38 0.943 -8.180 0.510 1.00 0.00 N ATOM 566 CA LEU A 38 0.435 -7.052 1.246 1.00 0.00 C ATOM 567 C LEU A 38 1.088 -5.769 0.753 1.00 0.00 C ATOM 568 O LEU A 38 2.309 -5.699 0.573 1.00 0.00 O ATOM 569 CB LEU A 38 0.668 -7.255 2.752 1.00 0.00 C ATOM 570 CG LEU A 38 2.132 -7.277 3.237 1.00 0.00 C ATOM 571 CD1 LEU A 38 2.187 -7.175 4.755 1.00 0.00 C ATOM 572 CD2 LEU A 38 2.858 -8.536 2.781 1.00 0.00 C ATOM 0 H LEU A 38 1.648 -8.722 1.009 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.639 -6.969 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.146 -6.461 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.200 -8.195 3.043 1.00 0.00 H new ATOM 0 HG LEU A 38 2.635 -6.417 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.226 -7.192 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.721 -6.243 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.654 -8.017 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.886 -8.514 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.351 -9.414 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.857 -8.582 1.692 1.00 0.00 H new ATOM 584 N TRP A 39 0.264 -4.764 0.509 1.00 0.00 N ATOM 585 CA TRP A 39 0.747 -3.488 0.008 1.00 0.00 C ATOM 586 C TRP A 39 0.114 -2.330 0.767 1.00 0.00 C ATOM 587 O TRP A 39 -0.778 -2.520 1.598 1.00 0.00 O ATOM 588 CB TRP A 39 0.451 -3.356 -1.500 1.00 0.00 C ATOM 589 CG TRP A 39 -1.007 -3.387 -1.848 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.788 -4.493 -2.015 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.860 -2.258 -2.067 1.00 0.00 C ATOM 592 NE1 TRP A 39 -3.069 -4.119 -2.317 1.00 0.00 N ATOM 593 CE2 TRP A 39 -3.138 -2.756 -2.356 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.666 -0.875 -2.044 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.215 -1.923 -2.617 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.738 -0.050 -2.308 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.996 -0.578 -2.593 1.00 0.00 C ATOM 0 H TRP A 39 -0.745 -4.807 0.650 1.00 0.00 H new ATOM 0 HA TRP A 39 1.825 -3.452 0.162 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.879 -2.421 -1.862 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.956 -4.164 -2.029 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.446 -5.513 -1.922 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.847 -4.756 -2.486 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.694 -0.460 -1.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.194 -2.326 -2.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.601 1.021 -2.294 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.816 0.094 -2.800 1.00 0.00 H new ATOM 608 N CYS A 40 0.584 -1.130 0.473 1.00 0.00 N ATOM 609 CA CYS A 40 0.073 0.069 1.108 1.00 0.00 C ATOM 610 C CYS A 40 0.182 1.241 0.143 1.00 0.00 C ATOM 611 O CYS A 40 0.893 1.153 -0.858 1.00 0.00 O ATOM 612 CB CYS A 40 0.869 0.362 2.377 1.00 0.00 C ATOM 613 SG CYS A 40 2.631 0.729 2.076 1.00 0.00 S ATOM 0 H CYS A 40 1.325 -0.961 -0.207 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.973 -0.080 1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.414 1.208 2.892 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.796 -0.495 3.046 1.00 0.00 H new ATOM 618 N SER A 41 -0.506 2.336 0.435 1.00 0.00 N ATOM 619 CA SER A 41 -0.439 3.506 -0.429 1.00 0.00 C ATOM 620 C SER A 41 0.450 4.572 0.201 1.00 0.00 C ATOM 621 O SER A 41 0.761 4.510 1.397 1.00 0.00 O ATOM 622 CB SER A 41 -1.836 4.068 -0.712 1.00 0.00 C ATOM 623 OG SER A 41 -1.784 5.117 -1.668 1.00 0.00 O ATOM 0 H SER A 41 -1.109 2.439 1.251 1.00 0.00 H new ATOM 0 HA SER A 41 -0.005 3.202 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.484 3.271 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.276 4.438 0.214 1.00 0.00 H new ATOM 0 HG SER A 41 -1.095 4.917 -2.336 1.00 0.00 H new ATOM 629 N THR A 42 0.860 5.534 -0.611 1.00 0.00 N ATOM 630 CA THR A 42 1.724 6.612 -0.162 1.00 0.00 C ATOM 631 C THR A 42 1.026 7.964 -0.312 1.00 0.00 C ATOM 632 O THR A 42 1.324 8.919 0.407 1.00 0.00 O ATOM 633 CB THR A 42 3.022 6.585 -0.978 1.00 0.00 C ATOM 634 OG1 THR A 42 3.545 5.268 -1.032 1.00 0.00 O ATOM 635 CG2 THR A 42 4.104 7.475 -0.420 1.00 0.00 C ATOM 0 H THR A 42 0.604 5.589 -1.597 1.00 0.00 H new ATOM 0 HA THR A 42 1.954 6.472 0.894 1.00 0.00 H new ATOM 0 HB THR A 42 2.748 6.952 -1.967 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.441 5.256 -0.636 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.992 7.405 -1.048 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.753 8.507 -0.401 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.350 7.157 0.593 1.00 0.00 H new ATOM 643 N THR A 43 0.100 8.037 -1.254 1.00 0.00 N ATOM 644 CA THR A 43 -0.636 9.265 -1.512 1.00 0.00 C ATOM 645 C THR A 43 -2.052 9.205 -0.945 1.00 0.00 C ATOM 646 O THR A 43 -2.896 10.025 -1.312 1.00 0.00 O ATOM 647 CB THR A 43 -0.698 9.499 -3.016 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.941 8.270 -3.688 1.00 0.00 O ATOM 649 CG2 THR A 43 0.562 10.109 -3.597 1.00 0.00 C ATOM 0 H THR A 43 -0.161 7.256 -1.856 1.00 0.00 H new ATOM 0 HA THR A 43 -0.116 10.086 -1.019 1.00 0.00 H new ATOM 0 HB THR A 43 -1.509 10.211 -3.168 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.857 7.974 -3.507 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.439 10.244 -4.672 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.748 11.076 -3.129 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.407 9.447 -3.409 1.00 0.00 H new ATOM 657 N TYR A 44 -2.305 8.224 -0.072 1.00 0.00 N ATOM 658 CA TYR A 44 -3.622 8.028 0.541 1.00 0.00 C ATOM 659 C TYR A 44 -4.613 7.489 -0.495 1.00 0.00 C ATOM 660 O TYR A 44 -5.066 6.357 -0.385 1.00 0.00 O ATOM 661 CB TYR A 44 -4.129 9.328 1.193 1.00 0.00 C ATOM 662 CG TYR A 44 -5.488 9.221 1.875 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.668 9.281 1.139 1.00 0.00 C ATOM 664 CD2 TYR A 44 -5.596 9.069 3.255 1.00 0.00 C ATOM 665 CE1 TYR A 44 -7.904 9.196 1.753 1.00 0.00 C ATOM 666 CE2 TYR A 44 -6.833 8.978 3.874 1.00 0.00 C ATOM 667 CZ TYR A 44 -7.981 9.045 3.119 1.00 0.00 C ATOM 668 OH TYR A 44 -9.212 8.964 3.730 1.00 0.00 O ATOM 0 H TYR A 44 -1.605 7.546 0.228 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.530 7.287 1.335 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.395 9.657 1.929 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.183 10.103 0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.617 9.396 0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.699 9.021 3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.807 9.248 1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.895 8.855 4.945 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.091 8.858 4.697 1.00 0.00 H new ATOM 678 N ASN A 45 -4.925 8.289 -1.509 1.00 0.00 N ATOM 679 CA ASN A 45 -5.840 7.862 -2.561 1.00 0.00 C ATOM 680 C ASN A 45 -5.056 7.071 -3.607 1.00 0.00 C ATOM 681 O ASN A 45 -4.303 7.642 -4.396 1.00 0.00 O ATOM 682 CB ASN A 45 -6.516 9.083 -3.203 1.00 0.00 C ATOM 683 CG ASN A 45 -7.683 8.774 -4.098 1.00 0.00 C ATOM 684 OD1 ASN A 45 -8.446 9.674 -4.441 1.00 0.00 O ATOM 685 ND2 ASN A 45 -7.831 7.547 -4.534 1.00 0.00 N ATOM 0 H ASN A 45 -4.559 9.234 -1.625 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.619 7.228 -2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.854 9.749 -2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -5.770 9.628 -3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.593 7.321 -5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.184 6.818 -4.234 1.00 0.00 H new ATOM 692 N PHE A 46 -5.217 5.758 -3.593 1.00 0.00 N ATOM 693 CA PHE A 46 -4.500 4.885 -4.522 1.00 0.00 C ATOM 694 C PHE A 46 -5.110 4.902 -5.924 1.00 0.00 C ATOM 695 O PHE A 46 -4.413 4.690 -6.915 1.00 0.00 O ATOM 696 CB PHE A 46 -4.484 3.456 -3.969 1.00 0.00 C ATOM 697 CG PHE A 46 -3.867 2.443 -4.902 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.558 2.587 -5.349 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.598 1.352 -5.335 1.00 0.00 C ATOM 700 CE1 PHE A 46 -2.003 1.657 -6.204 1.00 0.00 C ATOM 701 CE2 PHE A 46 -4.043 0.420 -6.187 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.746 0.574 -6.623 1.00 0.00 C ATOM 0 H PHE A 46 -5.838 5.268 -2.949 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.481 5.261 -4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.936 3.448 -3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.507 3.153 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.971 3.434 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.618 1.228 -5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.985 1.778 -6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.625 -0.430 -6.512 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.311 -0.153 -7.293 1.00 0.00 H new ATOM 712 N GLU A 47 -6.412 5.114 -6.000 1.00 0.00 N ATOM 713 CA GLU A 47 -7.123 5.115 -7.247 1.00 0.00 C ATOM 714 C GLU A 47 -6.738 6.258 -8.187 1.00 0.00 C ATOM 715 O GLU A 47 -6.533 6.032 -9.381 1.00 0.00 O ATOM 716 CB GLU A 47 -8.602 5.167 -6.936 1.00 0.00 C ATOM 717 CG GLU A 47 -9.165 3.843 -6.455 1.00 0.00 C ATOM 718 CD GLU A 47 -8.736 3.507 -5.046 1.00 0.00 C ATOM 719 OE1 GLU A 47 -9.061 4.285 -4.130 1.00 0.00 O ATOM 720 OE2 GLU A 47 -8.079 2.465 -4.862 1.00 0.00 O ATOM 0 H GLU A 47 -7.002 5.291 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.854 4.205 -7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.779 5.926 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.143 5.480 -7.829 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.253 3.877 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.842 3.049 -7.128 1.00 0.00 H new ATOM 727 N LYS A 48 -6.689 7.480 -7.670 1.00 0.00 N ATOM 728 CA LYS A 48 -6.384 8.637 -8.508 1.00 0.00 C ATOM 729 C LYS A 48 -4.880 8.874 -8.679 1.00 0.00 C ATOM 730 O LYS A 48 -4.431 9.243 -9.768 1.00 0.00 O ATOM 731 CB LYS A 48 -7.088 9.887 -7.938 1.00 0.00 C ATOM 732 CG LYS A 48 -6.618 11.243 -8.487 1.00 0.00 C ATOM 733 CD LYS A 48 -7.457 12.383 -7.925 1.00 0.00 C ATOM 734 CE LYS A 48 -7.423 12.420 -6.403 1.00 0.00 C ATOM 735 NZ LYS A 48 -8.223 13.543 -5.850 1.00 0.00 N ATOM 0 H LYS A 48 -6.854 7.696 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.765 8.430 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.157 9.793 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.955 9.891 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.570 11.399 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.684 11.241 -9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.091 13.331 -8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.488 12.275 -8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.804 11.477 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.390 12.512 -6.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.170 13.528 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.845 14.445 -6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.214 13.443 -6.148 1.00 0.00 H new ATOM 749 N ASP A 49 -4.102 8.679 -7.621 1.00 0.00 N ATOM 750 CA ASP A 49 -2.657 8.895 -7.710 1.00 0.00 C ATOM 751 C ASP A 49 -1.941 7.662 -8.253 1.00 0.00 C ATOM 752 O ASP A 49 -1.244 7.743 -9.258 1.00 0.00 O ATOM 753 CB ASP A 49 -2.080 9.297 -6.354 1.00 0.00 C ATOM 754 CG ASP A 49 -2.434 10.721 -5.987 1.00 0.00 C ATOM 755 OD1 ASP A 49 -2.070 11.638 -6.753 1.00 0.00 O ATOM 756 OD2 ASP A 49 -3.070 10.925 -4.939 1.00 0.00 O ATOM 0 H ASP A 49 -4.436 8.377 -6.706 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.491 9.714 -8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.455 8.621 -5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.996 9.187 -6.374 1.00 0.00 H new ATOM 761 N GLY A 50 -2.131 6.524 -7.602 1.00 0.00 N ATOM 762 CA GLY A 50 -1.512 5.298 -8.066 1.00 0.00 C ATOM 763 C GLY A 50 -0.165 4.997 -7.439 1.00 0.00 C ATOM 764 O GLY A 50 0.541 4.098 -7.893 1.00 0.00 O ATOM 0 H GLY A 50 -2.702 6.427 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.187 4.466 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.391 5.354 -9.148 1.00 0.00 H new ATOM 768 N LYS A 51 0.200 5.721 -6.391 1.00 0.00 N ATOM 769 CA LYS A 51 1.473 5.477 -5.722 1.00 0.00 C ATOM 770 C LYS A 51 1.292 4.424 -4.635 1.00 0.00 C ATOM 771 O LYS A 51 0.520 4.615 -3.691 1.00 0.00 O ATOM 772 CB LYS A 51 2.051 6.764 -5.120 1.00 0.00 C ATOM 773 CG LYS A 51 2.590 7.757 -6.142 1.00 0.00 C ATOM 774 CD LYS A 51 1.483 8.562 -6.811 1.00 0.00 C ATOM 775 CE LYS A 51 2.041 9.593 -7.790 1.00 0.00 C ATOM 776 NZ LYS A 51 2.855 8.962 -8.864 1.00 0.00 N ATOM 0 H LYS A 51 -0.358 6.474 -5.988 1.00 0.00 H new ATOM 0 HA LYS A 51 2.181 5.114 -6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.276 7.254 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.854 6.499 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.285 8.438 -5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.155 7.220 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.811 7.886 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.891 9.068 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.218 10.149 -8.239 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.653 10.313 -7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.072 9.668 -9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.742 8.599 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.321 8.177 -9.288 1.00 0.00 H new ATOM 790 N TYR A 52 1.991 3.307 -4.783 1.00 0.00 N ATOM 791 CA TYR A 52 1.895 2.215 -3.828 1.00 0.00 C ATOM 792 C TYR A 52 3.222 1.487 -3.700 1.00 0.00 C ATOM 793 O TYR A 52 4.164 1.741 -4.452 1.00 0.00 O ATOM 794 CB TYR A 52 0.835 1.207 -4.281 1.00 0.00 C ATOM 795 CG TYR A 52 1.263 0.427 -5.504 1.00 0.00 C ATOM 796 CD1 TYR A 52 1.406 1.049 -6.736 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.565 -0.926 -5.417 1.00 0.00 C ATOM 798 CE1 TYR A 52 1.833 0.349 -7.844 1.00 0.00 C ATOM 799 CE2 TYR A 52 1.990 -1.635 -6.522 1.00 0.00 C ATOM 800 CZ TYR A 52 2.125 -0.991 -7.734 1.00 0.00 C ATOM 801 OH TYR A 52 2.559 -1.688 -8.836 1.00 0.00 O ATOM 0 H TYR A 52 2.632 3.134 -5.558 1.00 0.00 H new ATOM 0 HA TYR A 52 1.620 2.644 -2.864 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.626 0.513 -3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.094 1.734 -4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.179 2.101 -6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.465 -1.432 -4.468 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.938 0.850 -8.795 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.216 -2.688 -6.438 1.00 0.00 H new ATOM 0 HH TYR A 52 2.722 -2.622 -8.589 1.00 0.00 H new ATOM 811 N GLY A 53 3.267 0.553 -2.769 1.00 0.00 N ATOM 812 CA GLY A 53 4.449 -0.244 -2.553 1.00 0.00 C ATOM 813 C GLY A 53 4.142 -1.427 -1.665 1.00 0.00 C ATOM 814 O GLY A 53 3.158 -1.404 -0.924 1.00 0.00 O ATOM 0 H GLY A 53 2.489 0.330 -2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.838 -0.593 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.227 0.367 -2.096 1.00 0.00 H new ATOM 818 N PHE A 54 4.962 -2.465 -1.737 1.00 0.00 N ATOM 819 CA PHE A 54 4.738 -3.656 -0.928 1.00 0.00 C ATOM 820 C PHE A 54 5.442 -3.548 0.406 1.00 0.00 C ATOM 821 O PHE A 54 6.514 -2.958 0.504 1.00 0.00 O ATOM 822 CB PHE A 54 5.203 -4.912 -1.659 1.00 0.00 C ATOM 823 CG PHE A 54 4.448 -5.168 -2.925 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.074 -5.326 -2.903 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.108 -5.246 -4.139 1.00 0.00 C ATOM 826 CE1 PHE A 54 2.371 -5.554 -4.068 1.00 0.00 C ATOM 827 CE2 PHE A 54 4.413 -5.474 -5.306 1.00 0.00 C ATOM 828 CZ PHE A 54 3.042 -5.627 -5.270 1.00 0.00 C ATOM 0 H PHE A 54 5.782 -2.508 -2.342 1.00 0.00 H new ATOM 0 HA PHE A 54 3.665 -3.732 -0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.265 -4.819 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.094 -5.772 -0.998 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.545 -5.270 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.181 -5.127 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.298 -5.675 -4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.940 -5.533 -6.247 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.494 -5.804 -6.184 1.00 0.00 H new ATOM 838 N CYS A 55 4.844 -4.127 1.429 1.00 0.00 N ATOM 839 CA CYS A 55 5.425 -4.100 2.758 1.00 0.00 C ATOM 840 C CYS A 55 6.324 -5.312 2.942 1.00 0.00 C ATOM 841 O CYS A 55 5.895 -6.447 2.731 1.00 0.00 O ATOM 842 CB CYS A 55 4.318 -4.077 3.806 1.00 0.00 C ATOM 843 SG CYS A 55 3.008 -2.866 3.439 1.00 0.00 S ATOM 0 H CYS A 55 3.955 -4.623 1.366 1.00 0.00 H new ATOM 0 HA CYS A 55 6.027 -3.199 2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.875 -5.070 3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.753 -3.849 4.779 1.00 0.00 H new ATOM 848 N PRO A 56 7.594 -5.092 3.321 1.00 0.00 N ATOM 849 CA PRO A 56 8.553 -6.181 3.512 1.00 0.00 C ATOM 850 C PRO A 56 8.168 -7.102 4.663 1.00 0.00 C ATOM 851 O PRO A 56 8.193 -6.703 5.831 1.00 0.00 O ATOM 852 CB PRO A 56 9.871 -5.466 3.808 1.00 0.00 C ATOM 853 CG PRO A 56 9.493 -4.092 4.250 1.00 0.00 C ATOM 854 CD PRO A 56 8.189 -3.769 3.575 1.00 0.00 C ATOM 0 HA PRO A 56 8.602 -6.830 2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.433 -5.986 4.583 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.506 -5.432 2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.390 -4.048 5.334 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.262 -3.370 3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.549 -3.157 4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.343 -3.214 2.649 1.00 0.00 H new ATOM 862 N HIS A 57 7.808 -8.332 4.330 1.00 0.00 N ATOM 863 CA HIS A 57 7.419 -9.304 5.336 1.00 0.00 C ATOM 864 C HIS A 57 8.522 -10.335 5.511 1.00 0.00 C ATOM 865 O HIS A 57 9.316 -10.573 4.599 1.00 0.00 O ATOM 866 CB HIS A 57 6.088 -9.979 4.956 1.00 0.00 C ATOM 867 CG HIS A 57 6.142 -10.851 3.730 1.00 0.00 C ATOM 868 ND1 HIS A 57 6.708 -12.111 3.719 1.00 0.00 N ATOM 869 CD2 HIS A 57 5.700 -10.631 2.470 1.00 0.00 C ATOM 870 CE1 HIS A 57 6.611 -12.624 2.504 1.00 0.00 C ATOM 871 NE2 HIS A 57 6.004 -11.745 1.729 1.00 0.00 N ATOM 0 H HIS A 57 7.778 -8.679 3.371 1.00 0.00 H new ATOM 0 HA HIS A 57 7.270 -8.789 6.285 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.751 -10.583 5.798 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.337 -9.204 4.799 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.200 -9.742 2.113 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.968 -13.596 2.198 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.795 -11.873 0.739 1.00 0.00 H new ATOM 879 N GLU A 58 8.574 -10.942 6.683 1.00 0.00 N ATOM 880 CA GLU A 58 9.583 -11.944 6.969 1.00 0.00 C ATOM 881 C GLU A 58 9.067 -13.328 6.594 1.00 0.00 C ATOM 882 O GLU A 58 9.829 -14.180 6.133 1.00 0.00 O ATOM 883 CB GLU A 58 10.000 -11.900 8.449 1.00 0.00 C ATOM 884 CG GLU A 58 8.869 -12.135 9.443 1.00 0.00 C ATOM 885 CD GLU A 58 7.893 -10.985 9.503 1.00 0.00 C ATOM 886 OE1 GLU A 58 8.315 -9.869 9.856 1.00 0.00 O ATOM 887 OE2 GLU A 58 6.714 -11.191 9.176 1.00 0.00 O ATOM 0 H GLU A 58 7.929 -10.758 7.452 1.00 0.00 H new ATOM 0 HA GLU A 58 10.466 -11.726 6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.772 -12.651 8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.450 -10.929 8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.335 -13.045 9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.291 -12.299 10.434 1.00 0.00 H new ATOM 894 N ALA A 59 7.766 -13.539 6.790 1.00 0.00 N ATOM 895 CA ALA A 59 7.126 -14.811 6.474 1.00 0.00 C ATOM 896 C ALA A 59 5.611 -14.648 6.422 1.00 0.00 C ATOM 897 O ALA A 59 5.122 -13.568 6.805 1.00 0.00 O ATOM 898 CB ALA A 59 7.502 -15.870 7.501 1.00 0.00 C ATOM 0 H ALA A 59 7.131 -12.837 7.170 1.00 0.00 H new ATOM 0 HA ALA A 59 7.478 -15.135 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.015 -16.812 7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.583 -16.009 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.178 -15.548 8.491 1.00 0.00 H new TER 904 ALA A 59