USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 768 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 38 THR OG1 : rot -134:sc= 1.78 USER MOD Set 1.2: A 40 GLN : amide:sc= -3.55 K(o=-14,f=-23!) USER MOD Set 1.3: A 48 HIS : no HE2:sc= -2.4 K(o=-14,f=-19) USER MOD Set 1.4: A 50 HIS : no HD1:sc= -5.29 K(o=-14,f=-27!) USER MOD Set 1.5: A 81 MET CE :methyl -176:sc= -4.6! (180deg=-2.51!) USER MOD Single : A 1 ILE N :NH3+ 175:sc= -1.1 (180deg=-1.26) USER MOD Single : A 5 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.35) USER MOD Single : A 6 MET CE :methyl 175:sc= 0 (180deg=-0.0453) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.1!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -59:sc= 0.0754 USER MOD Single : A 16 GLN : amide:sc= 0.174 X(o=0.17,f=-0.18) USER MOD Single : A 19 TYR OH : rot -147:sc= -4.44 USER MOD Single : A 24 GLN : amide:sc= -6.61! C(o=-6.6!,f=-8!) USER MOD Single : A 25 SER OG : rot -74:sc= 0.48 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -71:sc= 0.986 USER MOD Single : A 31 SER OG : rot -88:sc= 1.23 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 92:sc= -1.21 USER MOD Single : A 35 THR OG1 : rot 136:sc= -0.833 USER MOD Single : A 41 SER OG : rot 168:sc= -2.14 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 45 MET CE :methyl -164:sc= -4.67! (180deg=-5.56!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -23:sc= -3.59! USER MOD Single : A 59 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.93 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.555 F(o=-1.4,f=-0.55) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.77 K(o=-0.77,f=-2.2!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 130:sc=-0.00636 USER MOD Single : A 84 SER OG : rot -1:sc= 1.03 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -3.11! X(o=-3.1!,f=-3.5) USER MOD Single : A 93 THR OG1 : rot -76:sc= -0.455 USER MOD Single : A 98 THR OG1 : rot -61:sc= 1.31 USER MOD Single : A 100 SER OG : rot 49:sc= 0.634 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -4.948 -19.979 -2.656 1.00 0.00 N ATOM 2 CA ILE A 1 -4.941 -19.204 -3.925 1.00 0.00 C ATOM 3 C ILE A 1 -6.324 -18.645 -4.235 1.00 0.00 C ATOM 4 O ILE A 1 -7.110 -19.266 -4.950 1.00 0.00 O ATOM 5 CB ILE A 1 -4.477 -20.075 -5.108 1.00 0.00 C ATOM 6 CG1 ILE A 1 -5.231 -21.405 -5.119 1.00 0.00 C ATOM 7 CG2 ILE A 1 -2.976 -20.310 -5.038 1.00 0.00 C ATOM 8 CD1 ILE A 1 -5.518 -21.926 -6.511 1.00 0.00 C ATOM 0 H1 ILE A 1 -4.016 -20.418 -2.512 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.156 -19.342 -1.861 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.676 -20.720 -2.706 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.241 -18.380 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 1 -4.698 -19.547 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -4.648 -22.148 -4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -6.173 -21.284 -4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.665 -20.927 -5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -2.456 -19.353 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -2.730 -20.819 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -6.055 -22.872 -6.442 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -6.127 -21.202 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -4.579 -22.080 -7.043 1.00 0.00 H new ATOM 22 N GLU A 2 -6.615 -17.466 -3.691 1.00 0.00 N ATOM 23 CA GLU A 2 -7.905 -16.822 -3.911 1.00 0.00 C ATOM 24 C GLU A 2 -9.042 -17.684 -3.369 1.00 0.00 C ATOM 25 O GLU A 2 -8.819 -18.796 -2.891 1.00 0.00 O ATOM 26 CB GLU A 2 -8.118 -16.554 -5.402 1.00 0.00 C ATOM 27 CG GLU A 2 -7.598 -15.201 -5.858 1.00 0.00 C ATOM 28 CD GLU A 2 -8.632 -14.101 -5.715 1.00 0.00 C ATOM 29 OE1 GLU A 2 -9.502 -14.213 -4.825 1.00 0.00 O ATOM 30 OE2 GLU A 2 -8.574 -13.127 -6.495 1.00 0.00 O ATOM 0 H GLU A 2 -5.976 -16.939 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.905 -15.873 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.623 -17.337 -5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.183 -16.619 -5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.713 -14.941 -5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.286 -15.268 -6.900 1.00 0.00 H new ATOM 37 N GLY A 3 -10.262 -17.160 -3.447 1.00 0.00 N ATOM 38 CA GLY A 3 -11.415 -17.895 -2.960 1.00 0.00 C ATOM 39 C GLY A 3 -12.727 -17.246 -3.356 1.00 0.00 C ATOM 40 O GLY A 3 -12.767 -16.414 -4.262 1.00 0.00 O ATOM 0 H GLY A 3 -10.472 -16.242 -3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -11.384 -18.912 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.363 -17.968 -1.874 1.00 0.00 H new ATOM 44 N ARG A 4 -13.804 -17.628 -2.676 1.00 0.00 N ATOM 45 CA ARG A 4 -15.124 -17.079 -2.961 1.00 0.00 C ATOM 46 C ARG A 4 -15.890 -16.807 -1.669 1.00 0.00 C ATOM 47 O ARG A 4 -15.316 -16.821 -0.581 1.00 0.00 O ATOM 48 CB ARG A 4 -15.917 -18.043 -3.848 1.00 0.00 C ATOM 49 CG ARG A 4 -16.759 -17.346 -4.903 1.00 0.00 C ATOM 50 CD ARG A 4 -16.039 -17.287 -6.243 1.00 0.00 C ATOM 51 NE ARG A 4 -16.727 -16.419 -7.195 1.00 0.00 N ATOM 52 CZ ARG A 4 -16.790 -15.095 -7.081 1.00 0.00 C ATOM 53 NH1 ARG A 4 -16.207 -14.481 -6.059 1.00 0.00 N ATOM 54 NH2 ARG A 4 -17.438 -14.382 -7.991 1.00 0.00 N ATOM 0 H ARG A 4 -13.788 -18.316 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 4 -14.994 -16.134 -3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -15.223 -18.724 -4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -16.568 -18.650 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -17.706 -17.873 -5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -16.996 -16.335 -4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -15.022 -16.926 -6.093 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -15.962 -18.292 -6.658 1.00 0.00 H new ATOM 0 HE ARG A 4 -17.187 -16.854 -7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.707 -15.025 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.259 -13.466 -5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -17.888 -14.848 -8.778 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -17.486 -13.367 -7.904 1.00 0.00 H new ATOM 68 N HIS A 5 -17.190 -16.558 -1.799 1.00 0.00 N ATOM 69 CA HIS A 5 -18.036 -16.282 -0.642 1.00 0.00 C ATOM 70 C HIS A 5 -17.593 -15.003 0.063 1.00 0.00 C ATOM 71 O HIS A 5 -16.468 -14.911 0.554 1.00 0.00 O ATOM 72 CB HIS A 5 -18.004 -17.461 0.336 1.00 0.00 C ATOM 73 CG HIS A 5 -19.350 -18.063 0.589 1.00 0.00 C ATOM 74 ND1 HIS A 5 -20.497 -17.312 0.739 1.00 0.00 N ATOM 75 CD2 HIS A 5 -19.732 -19.357 0.717 1.00 0.00 C ATOM 76 CE1 HIS A 5 -21.523 -18.115 0.949 1.00 0.00 C ATOM 77 NE2 HIS A 5 -21.087 -19.361 0.940 1.00 0.00 N ATOM 0 H HIS A 5 -17.680 -16.542 -2.693 1.00 0.00 H new ATOM 0 HA HIS A 5 -19.058 -16.144 -0.995 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -17.339 -18.230 -0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -17.581 -17.126 1.283 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -19.090 -20.224 0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -22.546 -17.805 1.102 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -21.663 -20.192 1.076 1.00 0.00 H new ATOM 86 N MET A 6 -18.485 -14.019 0.107 1.00 0.00 N ATOM 87 CA MET A 6 -18.186 -12.744 0.750 1.00 0.00 C ATOM 88 C MET A 6 -17.874 -12.942 2.230 1.00 0.00 C ATOM 89 O MET A 6 -18.173 -13.988 2.804 1.00 0.00 O ATOM 90 CB MET A 6 -19.364 -11.781 0.589 1.00 0.00 C ATOM 91 CG MET A 6 -19.598 -11.342 -0.846 1.00 0.00 C ATOM 92 SD MET A 6 -21.225 -10.605 -1.092 1.00 0.00 S ATOM 93 CE MET A 6 -21.077 -9.122 -0.098 1.00 0.00 C ATOM 0 H MET A 6 -19.421 -14.080 -0.295 1.00 0.00 H new ATOM 0 HA MET A 6 -17.307 -12.317 0.266 1.00 0.00 H new ATOM 0 HB2 MET A 6 -20.268 -12.260 0.966 1.00 0.00 H new ATOM 0 HB3 MET A 6 -19.189 -10.900 1.206 1.00 0.00 H new ATOM 0 HG2 MET A 6 -18.831 -10.622 -1.131 1.00 0.00 H new ATOM 0 HG3 MET A 6 -19.490 -12.202 -1.507 1.00 0.00 H new ATOM 0 HE1 MET A 6 -21.973 -8.512 -0.218 1.00 0.00 H new ATOM 0 HE2 MET A 6 -20.963 -9.397 0.951 1.00 0.00 H new ATOM 0 HE3 MET A 6 -20.205 -8.553 -0.421 1.00 0.00 H new ATOM 103 N ALA A 7 -17.270 -11.928 2.842 1.00 0.00 N ATOM 104 CA ALA A 7 -16.916 -11.988 4.254 1.00 0.00 C ATOM 105 C ALA A 7 -16.314 -10.665 4.727 1.00 0.00 C ATOM 106 O ALA A 7 -15.157 -10.364 4.432 1.00 0.00 O ATOM 107 CB ALA A 7 -15.941 -13.130 4.503 1.00 0.00 C ATOM 0 H ALA A 7 -17.016 -11.055 2.381 1.00 0.00 H new ATOM 0 HA ALA A 7 -17.827 -12.168 4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -15.684 -13.165 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -16.403 -14.073 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -15.037 -12.971 3.915 1.00 0.00 H new ATOM 113 N PRO A 8 -17.090 -9.853 5.468 1.00 0.00 N ATOM 114 CA PRO A 8 -16.618 -8.561 5.976 1.00 0.00 C ATOM 115 C PRO A 8 -15.540 -8.715 7.042 1.00 0.00 C ATOM 116 O PRO A 8 -15.097 -9.825 7.334 1.00 0.00 O ATOM 117 CB PRO A 8 -17.877 -7.928 6.576 1.00 0.00 C ATOM 118 CG PRO A 8 -18.756 -9.082 6.914 1.00 0.00 C ATOM 119 CD PRO A 8 -18.483 -10.128 5.870 1.00 0.00 C ATOM 0 HA PRO A 8 -16.158 -7.961 5.191 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.640 -7.338 7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.360 -7.257 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -18.537 -9.460 7.912 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -19.806 -8.788 6.908 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -18.594 -11.135 6.271 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -19.169 -10.043 5.027 1.00 0.00 H new ATOM 127 N THR A 9 -15.120 -7.592 7.618 1.00 0.00 N ATOM 128 CA THR A 9 -14.091 -7.601 8.652 1.00 0.00 C ATOM 129 C THR A 9 -12.779 -8.157 8.108 1.00 0.00 C ATOM 130 O THR A 9 -12.744 -8.758 7.034 1.00 0.00 O ATOM 131 CB THR A 9 -14.552 -8.429 9.853 1.00 0.00 C ATOM 132 OG1 THR A 9 -15.950 -8.307 10.039 1.00 0.00 O ATOM 133 CG2 THR A 9 -13.879 -8.028 11.148 1.00 0.00 C ATOM 0 H THR A 9 -15.477 -6.665 7.386 1.00 0.00 H new ATOM 0 HA THR A 9 -13.924 -6.573 8.973 1.00 0.00 H new ATOM 0 HB THR A 9 -14.274 -9.457 9.620 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.226 -8.845 10.810 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.250 -8.654 11.960 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.801 -8.158 11.053 1.00 0.00 H new ATOM 0 HG23 THR A 9 -14.101 -6.983 11.365 1.00 0.00 H new ATOM 141 N GLU A 10 -11.699 -7.952 8.857 1.00 0.00 N ATOM 142 CA GLU A 10 -10.383 -8.432 8.449 1.00 0.00 C ATOM 143 C GLU A 10 -10.070 -9.778 9.091 1.00 0.00 C ATOM 144 O GLU A 10 -10.927 -10.388 9.732 1.00 0.00 O ATOM 145 CB GLU A 10 -9.308 -7.410 8.825 1.00 0.00 C ATOM 146 CG GLU A 10 -9.147 -7.220 10.325 1.00 0.00 C ATOM 147 CD GLU A 10 -9.795 -5.945 10.825 1.00 0.00 C ATOM 148 OE1 GLU A 10 -9.194 -4.865 10.649 1.00 0.00 O ATOM 149 OE2 GLU A 10 -10.906 -6.027 11.391 1.00 0.00 O ATOM 0 H GLU A 10 -11.710 -7.457 9.749 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.390 -8.562 7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.354 -7.726 8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.555 -6.451 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.584 -8.073 10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.086 -7.205 10.574 1.00 0.00 H new ATOM 156 N ASN A 11 -8.834 -10.240 8.915 1.00 0.00 N ATOM 157 CA ASN A 11 -8.400 -11.517 9.476 1.00 0.00 C ATOM 158 C ASN A 11 -9.044 -12.685 8.732 1.00 0.00 C ATOM 159 O ASN A 11 -9.589 -12.515 7.642 1.00 0.00 O ATOM 160 CB ASN A 11 -8.739 -11.592 10.968 1.00 0.00 C ATOM 161 CG ASN A 11 -8.373 -10.320 11.710 1.00 0.00 C ATOM 162 OD1 ASN A 11 -9.218 -9.699 12.357 1.00 0.00 O ATOM 163 ND2 ASN A 11 -7.109 -9.925 11.619 1.00 0.00 N ATOM 0 H ASN A 11 -8.114 -9.747 8.387 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.319 -11.587 9.358 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.805 -11.784 11.086 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.212 -12.435 11.415 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.804 -9.076 12.096 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.442 -10.470 11.072 1.00 0.00 H new ATOM 170 N SER A 12 -8.973 -13.874 9.329 1.00 0.00 N ATOM 171 CA SER A 12 -9.543 -15.075 8.724 1.00 0.00 C ATOM 172 C SER A 12 -10.993 -14.850 8.301 1.00 0.00 C ATOM 173 O SER A 12 -11.466 -15.447 7.333 1.00 0.00 O ATOM 174 CB SER A 12 -9.464 -16.246 9.704 1.00 0.00 C ATOM 175 OG SER A 12 -9.195 -17.461 9.024 1.00 0.00 O ATOM 0 H SER A 12 -8.526 -14.030 10.232 1.00 0.00 H new ATOM 0 HA SER A 12 -8.961 -15.308 7.832 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.683 -16.057 10.440 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.403 -16.331 10.251 1.00 0.00 H new ATOM 0 HG SER A 12 -9.147 -18.195 9.672 1.00 0.00 H new ATOM 181 N THR A 13 -11.693 -13.987 9.029 1.00 0.00 N ATOM 182 CA THR A 13 -13.088 -13.687 8.726 1.00 0.00 C ATOM 183 C THR A 13 -13.231 -13.127 7.314 1.00 0.00 C ATOM 184 O THR A 13 -14.130 -13.513 6.568 1.00 0.00 O ATOM 185 CB THR A 13 -13.653 -12.693 9.741 1.00 0.00 C ATOM 186 OG1 THR A 13 -13.189 -11.383 9.471 1.00 0.00 O ATOM 187 CG2 THR A 13 -13.284 -13.023 11.171 1.00 0.00 C ATOM 0 H THR A 13 -11.318 -13.483 9.833 1.00 0.00 H new ATOM 0 HA THR A 13 -13.653 -14.617 8.788 1.00 0.00 H new ATOM 0 HB THR A 13 -14.736 -12.759 9.637 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.210 -11.370 9.502 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.717 -12.279 11.839 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.670 -14.009 11.428 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.199 -13.019 11.277 1.00 0.00 H new ATOM 195 N GLY A 14 -12.333 -12.216 6.952 1.00 0.00 N ATOM 196 CA GLY A 14 -12.373 -11.618 5.629 1.00 0.00 C ATOM 197 C GLY A 14 -11.063 -11.780 4.884 1.00 0.00 C ATOM 198 O GLY A 14 -10.067 -11.137 5.217 1.00 0.00 O ATOM 0 H GLY A 14 -11.578 -11.881 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.176 -12.075 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.608 -10.558 5.719 1.00 0.00 H new ATOM 202 N VAL A 15 -11.061 -12.645 3.874 1.00 0.00 N ATOM 203 CA VAL A 15 -9.861 -12.892 3.084 1.00 0.00 C ATOM 204 C VAL A 15 -10.209 -13.479 1.718 1.00 0.00 C ATOM 205 O VAL A 15 -11.293 -14.034 1.528 1.00 0.00 O ATOM 206 CB VAL A 15 -8.902 -13.849 3.817 1.00 0.00 C ATOM 207 CG1 VAL A 15 -9.572 -15.190 4.069 1.00 0.00 C ATOM 208 CG2 VAL A 15 -7.615 -14.026 3.025 1.00 0.00 C ATOM 0 H VAL A 15 -11.876 -13.185 3.584 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.368 -11.930 2.942 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.649 -13.411 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.878 -15.852 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.461 -15.043 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.858 -15.638 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.950 -14.705 3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.846 -14.440 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.126 -13.059 2.905 1.00 0.00 H new ATOM 218 N GLN A 16 -9.284 -13.355 0.772 1.00 0.00 N ATOM 219 CA GLN A 16 -9.493 -13.875 -0.575 1.00 0.00 C ATOM 220 C GLN A 16 -8.267 -14.641 -1.064 1.00 0.00 C ATOM 221 O GLN A 16 -8.296 -15.866 -1.182 1.00 0.00 O ATOM 222 CB GLN A 16 -9.817 -12.734 -1.542 1.00 0.00 C ATOM 223 CG GLN A 16 -11.297 -12.399 -1.613 1.00 0.00 C ATOM 224 CD GLN A 16 -11.986 -13.053 -2.796 1.00 0.00 C ATOM 225 OE1 GLN A 16 -12.814 -12.434 -3.465 1.00 0.00 O ATOM 226 NE2 GLN A 16 -11.649 -14.310 -3.057 1.00 0.00 N ATOM 0 H GLN A 16 -8.382 -12.899 0.913 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.337 -14.564 -0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.266 -11.844 -1.238 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.466 -13.002 -2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.783 -12.719 -0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.419 -11.318 -1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.958 -14.784 -2.476 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.081 -14.802 -3.839 1.00 0.00 H new ATOM 235 N ASP A 17 -7.192 -13.911 -1.348 1.00 0.00 N ATOM 236 CA ASP A 17 -5.957 -14.526 -1.828 1.00 0.00 C ATOM 237 C ASP A 17 -5.370 -15.460 -0.781 1.00 0.00 C ATOM 238 O ASP A 17 -6.003 -15.720 0.233 1.00 0.00 O ATOM 239 CB ASP A 17 -4.937 -13.449 -2.204 1.00 0.00 C ATOM 240 CG ASP A 17 -4.164 -13.801 -3.460 1.00 0.00 C ATOM 241 OD1 ASP A 17 -3.504 -14.860 -3.475 1.00 0.00 O ATOM 242 OD2 ASP A 17 -4.219 -13.016 -4.430 1.00 0.00 O ATOM 0 H ASP A 17 -7.150 -12.896 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.195 -15.113 -2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.452 -12.500 -2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.239 -13.308 -1.378 1.00 0.00 H new ATOM 247 N CYS A 18 -4.149 -15.944 -1.031 1.00 0.00 N ATOM 248 CA CYS A 18 -3.447 -16.835 -0.109 1.00 0.00 C ATOM 249 C CYS A 18 -2.206 -16.137 0.459 1.00 0.00 C ATOM 250 O CYS A 18 -1.844 -15.045 0.021 1.00 0.00 O ATOM 251 CB CYS A 18 -3.027 -18.123 -0.816 1.00 0.00 C ATOM 252 SG CYS A 18 -3.432 -19.657 0.085 1.00 0.00 S ATOM 0 H CYS A 18 -3.622 -15.728 -1.877 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.127 -17.085 0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.505 -18.156 -1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.951 -18.092 -0.988 1.00 0.00 H new ATOM 257 N TYR A 19 -1.559 -16.783 1.420 1.00 0.00 N ATOM 258 CA TYR A 19 -0.355 -16.251 2.052 1.00 0.00 C ATOM 259 C TYR A 19 0.860 -17.018 1.547 1.00 0.00 C ATOM 260 O TYR A 19 0.714 -18.030 0.863 1.00 0.00 O ATOM 261 CB TYR A 19 -0.463 -16.401 3.573 1.00 0.00 C ATOM 262 CG TYR A 19 -0.452 -15.106 4.351 1.00 0.00 C ATOM 263 CD1 TYR A 19 0.665 -14.283 4.374 1.00 0.00 C ATOM 264 CD2 TYR A 19 -1.567 -14.721 5.084 1.00 0.00 C ATOM 265 CE1 TYR A 19 0.668 -13.108 5.102 1.00 0.00 C ATOM 266 CE2 TYR A 19 -1.571 -13.550 5.812 1.00 0.00 C ATOM 267 CZ TYR A 19 -0.454 -12.746 5.819 1.00 0.00 C ATOM 268 OH TYR A 19 -0.454 -11.578 6.543 1.00 0.00 O ATOM 0 H TYR A 19 -1.852 -17.690 1.784 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.249 -15.195 1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.383 -16.937 3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.363 -17.021 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.545 -14.565 3.815 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.446 -15.349 5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.544 -12.476 5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.448 -13.265 6.375 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.004 -11.691 7.346 1.00 0.00 H new ATOM 278 N ARG A 20 2.058 -16.554 1.891 1.00 0.00 N ATOM 279 CA ARG A 20 3.274 -17.233 1.462 1.00 0.00 C ATOM 280 C ARG A 20 4.443 -16.927 2.398 1.00 0.00 C ATOM 281 O ARG A 20 4.687 -17.664 3.353 1.00 0.00 O ATOM 282 CB ARG A 20 3.613 -16.849 0.020 1.00 0.00 C ATOM 283 CG ARG A 20 2.539 -17.253 -0.977 1.00 0.00 C ATOM 284 CD ARG A 20 3.073 -17.256 -2.401 1.00 0.00 C ATOM 285 NE ARG A 20 3.216 -15.905 -2.935 1.00 0.00 N ATOM 286 CZ ARG A 20 2.206 -15.186 -3.418 1.00 0.00 C ATOM 287 NH1 ARG A 20 0.975 -15.685 -3.433 1.00 0.00 N ATOM 288 NH2 ARG A 20 2.424 -13.965 -3.886 1.00 0.00 N ATOM 0 H ARG A 20 2.211 -15.721 2.459 1.00 0.00 H new ATOM 0 HA ARG A 20 3.096 -18.308 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.764 -15.771 -0.036 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.556 -17.318 -0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.163 -18.245 -0.726 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.697 -16.565 -0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.040 -17.759 -2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.400 -17.829 -3.039 1.00 0.00 H new ATOM 0 HE ARG A 20 4.146 -15.487 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.801 -16.623 -3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.204 -15.130 -3.804 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.367 -13.576 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.649 -13.415 -4.256 1.00 0.00 H new ATOM 302 N GLY A 21 5.164 -15.843 2.126 1.00 0.00 N ATOM 303 CA GLY A 21 6.291 -15.480 2.966 1.00 0.00 C ATOM 304 C GLY A 21 5.851 -14.933 4.307 1.00 0.00 C ATOM 305 O GLY A 21 5.740 -15.675 5.284 1.00 0.00 O ATOM 0 H GLY A 21 4.989 -15.213 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.923 -16.355 3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.899 -14.735 2.453 1.00 0.00 H new ATOM 309 N ASP A 22 5.592 -13.633 4.352 1.00 0.00 N ATOM 310 CA ASP A 22 5.153 -12.980 5.579 1.00 0.00 C ATOM 311 C ASP A 22 4.264 -11.786 5.258 1.00 0.00 C ATOM 312 O ASP A 22 4.229 -10.811 6.006 1.00 0.00 O ATOM 313 CB ASP A 22 6.360 -12.524 6.402 1.00 0.00 C ATOM 314 CG ASP A 22 6.796 -13.565 7.413 1.00 0.00 C ATOM 315 OD1 ASP A 22 6.050 -13.800 8.386 1.00 0.00 O ATOM 316 OD2 ASP A 22 7.888 -14.145 7.234 1.00 0.00 O ATOM 0 H ASP A 22 5.679 -13.008 3.551 1.00 0.00 H new ATOM 0 HA ASP A 22 4.579 -13.699 6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.190 -12.302 5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.113 -11.598 6.921 1.00 0.00 H new ATOM 321 N GLY A 23 3.545 -11.874 4.141 1.00 0.00 N ATOM 322 CA GLY A 23 2.660 -10.799 3.727 1.00 0.00 C ATOM 323 C GLY A 23 3.400 -9.507 3.420 1.00 0.00 C ATOM 324 O GLY A 23 3.378 -9.029 2.285 1.00 0.00 O ATOM 0 H GLY A 23 3.561 -12.677 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.105 -11.113 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.928 -10.614 4.514 1.00 0.00 H new ATOM 328 N GLN A 24 4.051 -8.942 4.434 1.00 0.00 N ATOM 329 CA GLN A 24 4.801 -7.698 4.281 1.00 0.00 C ATOM 330 C GLN A 24 5.847 -7.815 3.171 1.00 0.00 C ATOM 331 O GLN A 24 5.774 -8.704 2.324 1.00 0.00 O ATOM 332 CB GLN A 24 5.475 -7.328 5.609 1.00 0.00 C ATOM 333 CG GLN A 24 6.746 -8.117 5.895 1.00 0.00 C ATOM 334 CD GLN A 24 6.785 -8.680 7.304 1.00 0.00 C ATOM 335 OE1 GLN A 24 7.742 -8.459 8.045 1.00 0.00 O ATOM 336 NE2 GLN A 24 5.744 -9.414 7.679 1.00 0.00 N ATOM 0 H GLN A 24 4.074 -9.330 5.377 1.00 0.00 H new ATOM 0 HA GLN A 24 4.102 -6.910 4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.713 -6.264 5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.767 -7.490 6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.829 -8.935 5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.611 -7.471 5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.972 -9.572 7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.717 -9.820 8.614 1.00 0.00 H new ATOM 345 N SER A 25 6.821 -6.907 3.184 1.00 0.00 N ATOM 346 CA SER A 25 7.883 -6.902 2.182 1.00 0.00 C ATOM 347 C SER A 25 7.336 -6.528 0.807 1.00 0.00 C ATOM 348 O SER A 25 7.974 -6.787 -0.215 1.00 0.00 O ATOM 349 CB SER A 25 8.572 -8.270 2.121 1.00 0.00 C ATOM 350 OG SER A 25 7.927 -9.131 1.196 1.00 0.00 O ATOM 0 H SER A 25 6.896 -6.164 3.879 1.00 0.00 H new ATOM 0 HA SER A 25 8.617 -6.151 2.475 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.616 -8.141 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.567 -8.727 3.111 1.00 0.00 H new ATOM 0 HG SER A 25 7.078 -9.441 1.575 1.00 0.00 H new ATOM 356 N TYR A 26 6.151 -5.915 0.787 1.00 0.00 N ATOM 357 CA TYR A 26 5.511 -5.497 -0.461 1.00 0.00 C ATOM 358 C TYR A 26 5.634 -6.570 -1.543 1.00 0.00 C ATOM 359 O TYR A 26 6.615 -6.604 -2.285 1.00 0.00 O ATOM 360 CB TYR A 26 6.115 -4.182 -0.959 1.00 0.00 C ATOM 361 CG TYR A 26 7.626 -4.146 -0.913 1.00 0.00 C ATOM 362 CD1 TYR A 26 8.296 -3.747 0.237 1.00 0.00 C ATOM 363 CD2 TYR A 26 8.384 -4.509 -2.020 1.00 0.00 C ATOM 364 CE1 TYR A 26 9.677 -3.711 0.284 1.00 0.00 C ATOM 365 CE2 TYR A 26 9.765 -4.478 -1.982 1.00 0.00 C ATOM 366 CZ TYR A 26 10.407 -4.078 -0.828 1.00 0.00 C ATOM 367 OH TYR A 26 11.782 -4.044 -0.786 1.00 0.00 O ATOM 0 H TYR A 26 5.613 -5.696 1.626 1.00 0.00 H new ATOM 0 HA TYR A 26 4.452 -5.348 -0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.788 -4.009 -1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.723 -3.362 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.728 -3.460 1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.885 -4.821 -2.926 1.00 0.00 H new ATOM 0 HE1 TYR A 26 10.182 -3.397 1.186 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.339 -4.765 -2.851 1.00 0.00 H new ATOM 0 HH TYR A 26 12.143 -4.333 -1.650 1.00 0.00 H new ATOM 377 N ARG A 27 4.633 -7.441 -1.626 1.00 0.00 N ATOM 378 CA ARG A 27 4.632 -8.509 -2.619 1.00 0.00 C ATOM 379 C ARG A 27 3.249 -9.142 -2.741 1.00 0.00 C ATOM 380 O ARG A 27 2.997 -10.217 -2.196 1.00 0.00 O ATOM 381 CB ARG A 27 5.668 -9.576 -2.258 1.00 0.00 C ATOM 382 CG ARG A 27 5.448 -10.200 -0.887 1.00 0.00 C ATOM 383 CD ARG A 27 5.599 -11.712 -0.934 1.00 0.00 C ATOM 384 NE ARG A 27 4.330 -12.381 -1.211 1.00 0.00 N ATOM 385 CZ ARG A 27 3.414 -12.650 -0.283 1.00 0.00 C ATOM 386 NH1 ARG A 27 3.619 -12.309 0.983 1.00 0.00 N ATOM 387 NH2 ARG A 27 2.288 -13.262 -0.623 1.00 0.00 N ATOM 0 H ARG A 27 3.814 -7.428 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 27 4.895 -8.072 -3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.646 -10.362 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.662 -9.131 -2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.163 -9.784 -0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.453 -9.944 -0.525 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.325 -11.980 -1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.995 -12.066 0.017 1.00 0.00 H new ATOM 0 HE ARG A 27 4.134 -12.659 -2.173 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.483 -11.837 1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.913 -12.518 1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.124 -13.526 -1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.585 -13.469 0.087 1.00 0.00 H new ATOM 401 N GLY A 28 2.357 -8.469 -3.459 1.00 0.00 N ATOM 402 CA GLY A 28 1.010 -8.980 -3.641 1.00 0.00 C ATOM 403 C GLY A 28 0.419 -8.590 -4.982 1.00 0.00 C ATOM 404 O GLY A 28 -0.198 -9.414 -5.658 1.00 0.00 O ATOM 0 H GLY A 28 2.542 -7.578 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.022 -10.067 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.371 -8.604 -2.842 1.00 0.00 H new ATOM 408 N THR A 29 0.609 -7.332 -5.367 1.00 0.00 N ATOM 409 CA THR A 29 0.091 -6.831 -6.637 1.00 0.00 C ATOM 410 C THR A 29 -1.426 -6.973 -6.712 1.00 0.00 C ATOM 411 O THR A 29 -2.003 -6.991 -7.800 1.00 0.00 O ATOM 412 CB THR A 29 0.744 -7.567 -7.810 1.00 0.00 C ATOM 413 OG1 THR A 29 0.116 -8.818 -8.031 1.00 0.00 O ATOM 414 CG2 THR A 29 2.224 -7.822 -7.613 1.00 0.00 C ATOM 0 H THR A 29 1.118 -6.640 -4.818 1.00 0.00 H new ATOM 0 HA THR A 29 0.337 -5.771 -6.700 1.00 0.00 H new ATOM 0 HB THR A 29 0.620 -6.906 -8.668 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.350 -9.434 -7.306 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.622 -8.347 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.744 -6.872 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.373 -8.432 -6.722 1.00 0.00 H new ATOM 422 N LEU A 30 -2.073 -7.070 -5.552 1.00 0.00 N ATOM 423 CA LEU A 30 -3.525 -7.205 -5.498 1.00 0.00 C ATOM 424 C LEU A 30 -4.187 -5.833 -5.427 1.00 0.00 C ATOM 425 O LEU A 30 -5.176 -5.571 -6.113 1.00 0.00 O ATOM 426 CB LEU A 30 -3.943 -8.046 -4.287 1.00 0.00 C ATOM 427 CG LEU A 30 -2.955 -9.138 -3.876 1.00 0.00 C ATOM 428 CD1 LEU A 30 -3.436 -9.847 -2.620 1.00 0.00 C ATOM 429 CD2 LEU A 30 -2.758 -10.132 -5.010 1.00 0.00 C ATOM 0 H LEU A 30 -1.615 -7.058 -4.640 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.853 -7.709 -6.407 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.096 -7.379 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.904 -8.512 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.995 -8.670 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.720 -10.621 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.525 -9.127 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.408 -10.303 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.052 -10.902 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.713 -10.594 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.368 -9.613 -5.885 1.00 0.00 H new ATOM 441 N SER A 31 -3.634 -4.962 -4.587 1.00 0.00 N ATOM 442 CA SER A 31 -4.163 -3.611 -4.412 1.00 0.00 C ATOM 443 C SER A 31 -5.497 -3.623 -3.669 1.00 0.00 C ATOM 444 O SER A 31 -6.152 -2.589 -3.538 1.00 0.00 O ATOM 445 CB SER A 31 -4.325 -2.916 -5.766 1.00 0.00 C ATOM 446 OG SER A 31 -3.498 -3.517 -6.749 1.00 0.00 O ATOM 0 H SER A 31 -2.816 -5.169 -4.014 1.00 0.00 H new ATOM 0 HA SER A 31 -3.445 -3.055 -3.810 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.367 -2.967 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.072 -1.860 -5.669 1.00 0.00 H new ATOM 0 HG SER A 31 -2.616 -3.091 -6.739 1.00 0.00 H new ATOM 452 N THR A 32 -5.889 -4.791 -3.169 1.00 0.00 N ATOM 453 CA THR A 32 -7.133 -4.923 -2.426 1.00 0.00 C ATOM 454 C THR A 32 -6.860 -4.742 -0.936 1.00 0.00 C ATOM 455 O THR A 32 -5.883 -4.095 -0.558 1.00 0.00 O ATOM 456 CB THR A 32 -7.770 -6.288 -2.698 1.00 0.00 C ATOM 457 OG1 THR A 32 -7.310 -6.819 -3.928 1.00 0.00 O ATOM 458 CG2 THR A 32 -9.281 -6.243 -2.755 1.00 0.00 C ATOM 0 H THR A 32 -5.361 -5.659 -3.266 1.00 0.00 H new ATOM 0 HA THR A 32 -7.831 -4.152 -2.752 1.00 0.00 H new ATOM 0 HB THR A 32 -7.473 -6.918 -1.859 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.727 -7.692 -4.084 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.668 -7.243 -2.951 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.670 -5.883 -1.803 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.595 -5.570 -3.553 1.00 0.00 H new ATOM 466 N THR A 33 -7.710 -5.308 -0.088 1.00 0.00 N ATOM 467 CA THR A 33 -7.514 -5.185 1.349 1.00 0.00 C ATOM 468 C THR A 33 -8.265 -6.265 2.125 1.00 0.00 C ATOM 469 O THR A 33 -7.828 -6.671 3.195 1.00 0.00 O ATOM 470 CB THR A 33 -7.933 -3.794 1.831 1.00 0.00 C ATOM 471 OG1 THR A 33 -7.344 -3.496 3.087 1.00 0.00 O ATOM 472 CG2 THR A 33 -9.428 -3.620 1.973 1.00 0.00 C ATOM 0 H THR A 33 -8.529 -5.849 -0.365 1.00 0.00 H new ATOM 0 HA THR A 33 -6.450 -5.323 1.543 1.00 0.00 H new ATOM 0 HB THR A 33 -7.583 -3.113 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.494 -3.028 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.645 -2.609 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.907 -3.785 1.008 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.811 -4.341 2.696 1.00 0.00 H new ATOM 480 N ILE A 34 -9.397 -6.723 1.598 1.00 0.00 N ATOM 481 CA ILE A 34 -10.180 -7.750 2.279 1.00 0.00 C ATOM 482 C ILE A 34 -10.956 -8.617 1.289 1.00 0.00 C ATOM 483 O ILE A 34 -10.517 -9.714 0.940 1.00 0.00 O ATOM 484 CB ILE A 34 -11.159 -7.129 3.296 1.00 0.00 C ATOM 485 CG1 ILE A 34 -10.412 -6.231 4.280 1.00 0.00 C ATOM 486 CG2 ILE A 34 -11.917 -8.214 4.047 1.00 0.00 C ATOM 487 CD1 ILE A 34 -9.480 -6.983 5.206 1.00 0.00 C ATOM 0 H ILE A 34 -9.789 -6.404 0.712 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.469 -8.381 2.812 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.878 -6.522 2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.836 -5.494 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.138 -5.681 4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.602 -7.753 4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.483 -8.819 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.210 -8.848 4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.986 -6.279 5.875 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.052 -7.701 5.794 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.730 -7.511 4.617 1.00 0.00 H new ATOM 499 N THR A 35 -12.111 -8.129 0.845 1.00 0.00 N ATOM 500 CA THR A 35 -12.938 -8.876 -0.095 1.00 0.00 C ATOM 501 C THR A 35 -13.771 -7.938 -0.963 1.00 0.00 C ATOM 502 O THR A 35 -14.937 -8.210 -1.245 1.00 0.00 O ATOM 503 CB THR A 35 -13.854 -9.842 0.660 1.00 0.00 C ATOM 504 OG1 THR A 35 -13.188 -10.391 1.783 1.00 0.00 O ATOM 505 CG2 THR A 35 -14.344 -10.993 -0.192 1.00 0.00 C ATOM 0 H THR A 35 -12.493 -7.224 1.120 1.00 0.00 H new ATOM 0 HA THR A 35 -12.276 -9.445 -0.748 1.00 0.00 H new ATOM 0 HB THR A 35 -14.714 -9.245 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 35 -13.792 -10.388 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 35 -14.988 -11.639 0.405 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.907 -10.604 -1.041 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.491 -11.566 -0.555 1.00 0.00 H new ATOM 513 N GLY A 36 -13.165 -6.834 -1.389 1.00 0.00 N ATOM 514 CA GLY A 36 -13.870 -5.879 -2.226 1.00 0.00 C ATOM 515 C GLY A 36 -13.554 -4.434 -1.883 1.00 0.00 C ATOM 516 O GLY A 36 -14.394 -3.552 -2.064 1.00 0.00 O ATOM 0 H GLY A 36 -12.201 -6.584 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.614 -6.062 -3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.943 -6.043 -2.128 1.00 0.00 H new ATOM 520 N ARG A 37 -12.343 -4.188 -1.394 1.00 0.00 N ATOM 521 CA ARG A 37 -11.924 -2.837 -1.033 1.00 0.00 C ATOM 522 C ARG A 37 -10.407 -2.704 -1.143 1.00 0.00 C ATOM 523 O ARG A 37 -9.667 -3.606 -0.750 1.00 0.00 O ATOM 524 CB ARG A 37 -12.380 -2.488 0.388 1.00 0.00 C ATOM 525 CG ARG A 37 -13.627 -3.233 0.842 1.00 0.00 C ATOM 526 CD ARG A 37 -13.877 -3.047 2.330 1.00 0.00 C ATOM 527 NE ARG A 37 -14.929 -3.933 2.823 1.00 0.00 N ATOM 528 CZ ARG A 37 -15.103 -4.233 4.108 1.00 0.00 C ATOM 529 NH1 ARG A 37 -14.299 -3.720 5.031 1.00 0.00 N ATOM 530 NH2 ARG A 37 -16.086 -5.045 4.472 1.00 0.00 N ATOM 0 H ARG A 37 -11.635 -4.905 -1.238 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.391 -2.139 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.568 -2.705 1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.570 -1.416 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.490 -2.876 0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.519 -4.295 0.620 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.955 -3.238 2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.155 -2.011 2.524 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.567 -4.346 2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.543 -3.092 4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.437 -3.953 6.014 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.709 -5.440 3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.219 -5.275 5.457 1.00 0.00 H new ATOM 544 N THR A 38 -9.950 -1.581 -1.689 1.00 0.00 N ATOM 545 CA THR A 38 -8.519 -1.342 -1.856 1.00 0.00 C ATOM 546 C THR A 38 -7.859 -0.971 -0.538 1.00 0.00 C ATOM 547 O THR A 38 -8.454 -1.099 0.531 1.00 0.00 O ATOM 548 CB THR A 38 -8.271 -0.228 -2.874 1.00 0.00 C ATOM 549 OG1 THR A 38 -8.463 1.053 -2.284 1.00 0.00 O ATOM 550 CG2 THR A 38 -9.166 -0.312 -4.091 1.00 0.00 C ATOM 0 H THR A 38 -10.547 -0.824 -2.023 1.00 0.00 H new ATOM 0 HA THR A 38 -8.079 -2.271 -2.219 1.00 0.00 H new ATOM 0 HB THR A 38 -7.238 -0.363 -3.195 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.003 1.611 -2.882 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.935 0.509 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.000 -1.261 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.209 -0.244 -3.781 1.00 0.00 H new ATOM 558 N CYS A 39 -6.618 -0.502 -0.629 1.00 0.00 N ATOM 559 CA CYS A 39 -5.865 -0.098 0.545 1.00 0.00 C ATOM 560 C CYS A 39 -5.595 1.408 0.531 1.00 0.00 C ATOM 561 O CYS A 39 -4.737 1.899 1.265 1.00 0.00 O ATOM 562 CB CYS A 39 -4.549 -0.873 0.616 1.00 0.00 C ATOM 563 SG CYS A 39 -4.394 -1.923 2.097 1.00 0.00 S ATOM 0 H CYS A 39 -6.114 -0.394 -1.509 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.460 -0.326 1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.458 -1.498 -0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.720 -0.166 0.595 1.00 0.00 H new ATOM 568 N GLN A 40 -6.339 2.136 -0.302 1.00 0.00 N ATOM 569 CA GLN A 40 -6.182 3.584 -0.403 1.00 0.00 C ATOM 570 C GLN A 40 -4.779 3.955 -0.871 1.00 0.00 C ATOM 571 O GLN A 40 -3.784 3.523 -0.292 1.00 0.00 O ATOM 572 CB GLN A 40 -6.481 4.242 0.946 1.00 0.00 C ATOM 573 CG GLN A 40 -7.852 4.896 1.012 1.00 0.00 C ATOM 574 CD GLN A 40 -8.095 5.864 -0.129 1.00 0.00 C ATOM 575 OE1 GLN A 40 -7.179 6.197 -0.882 1.00 0.00 O ATOM 576 NE2 GLN A 40 -9.334 6.321 -0.266 1.00 0.00 N ATOM 0 H GLN A 40 -7.055 1.746 -0.915 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.892 3.951 -1.144 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.408 3.490 1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.719 4.993 1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.620 4.123 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.952 5.425 1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -10.063 6.019 0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.557 6.974 -1.017 1.00 0.00 H new ATOM 585 N SER A 41 -4.710 4.764 -1.922 1.00 0.00 N ATOM 586 CA SER A 41 -3.430 5.196 -2.467 1.00 0.00 C ATOM 587 C SER A 41 -2.794 6.256 -1.579 1.00 0.00 C ATOM 588 O SER A 41 -3.442 7.228 -1.193 1.00 0.00 O ATOM 589 CB SER A 41 -3.605 5.734 -3.890 1.00 0.00 C ATOM 590 OG SER A 41 -3.884 7.124 -3.884 1.00 0.00 O ATOM 0 H SER A 41 -5.525 5.133 -2.413 1.00 0.00 H new ATOM 0 HA SER A 41 -2.768 4.331 -2.500 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.699 5.545 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.416 5.200 -4.386 1.00 0.00 H new ATOM 0 HG SER A 41 -3.800 7.478 -4.794 1.00 0.00 H new ATOM 596 N TRP A 42 -1.522 6.060 -1.258 1.00 0.00 N ATOM 597 CA TRP A 42 -0.793 6.997 -0.413 1.00 0.00 C ATOM 598 C TRP A 42 -0.583 8.319 -1.138 1.00 0.00 C ATOM 599 O TRP A 42 0.523 8.630 -1.581 1.00 0.00 O ATOM 600 CB TRP A 42 0.558 6.415 -0.010 1.00 0.00 C ATOM 601 CG TRP A 42 0.532 4.934 0.227 1.00 0.00 C ATOM 602 CD1 TRP A 42 0.980 3.964 -0.620 1.00 0.00 C ATOM 603 CD2 TRP A 42 0.028 4.256 1.382 1.00 0.00 C ATOM 604 NE1 TRP A 42 0.789 2.723 -0.063 1.00 0.00 N ATOM 605 CE2 TRP A 42 0.208 2.876 1.168 1.00 0.00 C ATOM 606 CE3 TRP A 42 -0.553 4.681 2.578 1.00 0.00 C ATOM 607 CZ2 TRP A 42 -0.173 1.921 2.107 1.00 0.00 C ATOM 608 CZ3 TRP A 42 -0.932 3.734 3.509 1.00 0.00 C ATOM 609 CH2 TRP A 42 -0.739 2.367 3.269 1.00 0.00 C ATOM 0 H TRP A 42 -0.973 5.259 -1.570 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.386 7.174 0.484 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.286 6.636 -0.791 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.902 6.913 0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.421 4.145 -1.589 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.039 1.833 -0.495 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.704 5.733 2.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -0.027 0.867 1.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -1.384 4.052 4.437 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.044 1.651 4.018 1.00 0.00 H new ATOM 620 N SER A 43 -1.659 9.088 -1.254 1.00 0.00 N ATOM 621 CA SER A 43 -1.630 10.385 -1.928 1.00 0.00 C ATOM 622 C SER A 43 -3.042 10.803 -2.317 1.00 0.00 C ATOM 623 O SER A 43 -3.326 11.989 -2.484 1.00 0.00 O ATOM 624 CB SER A 43 -0.745 10.339 -3.180 1.00 0.00 C ATOM 625 OG SER A 43 -1.048 11.407 -4.061 1.00 0.00 O ATOM 0 H SER A 43 -2.575 8.833 -0.885 1.00 0.00 H new ATOM 0 HA SER A 43 -1.210 11.114 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.304 10.391 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.887 9.388 -3.694 1.00 0.00 H new ATOM 0 HG SER A 43 -0.469 11.355 -4.850 1.00 0.00 H new ATOM 631 N SER A 44 -3.926 9.818 -2.457 1.00 0.00 N ATOM 632 CA SER A 44 -5.311 10.088 -2.826 1.00 0.00 C ATOM 633 C SER A 44 -6.113 10.549 -1.614 1.00 0.00 C ATOM 634 O SER A 44 -6.844 9.768 -1.006 1.00 0.00 O ATOM 635 CB SER A 44 -5.954 8.839 -3.432 1.00 0.00 C ATOM 636 OG SER A 44 -7.358 8.991 -3.544 1.00 0.00 O ATOM 0 H SER A 44 -3.708 8.831 -2.321 1.00 0.00 H new ATOM 0 HA SER A 44 -5.315 10.885 -3.569 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.526 8.647 -4.416 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.727 7.972 -2.811 1.00 0.00 H new ATOM 0 HG SER A 44 -7.745 8.180 -3.935 1.00 0.00 H new ATOM 642 N MET A 45 -5.968 11.825 -1.268 1.00 0.00 N ATOM 643 CA MET A 45 -6.677 12.390 -0.124 1.00 0.00 C ATOM 644 C MET A 45 -8.033 12.946 -0.545 1.00 0.00 C ATOM 645 O MET A 45 -8.119 14.017 -1.146 1.00 0.00 O ATOM 646 CB MET A 45 -5.842 13.495 0.527 1.00 0.00 C ATOM 647 CG MET A 45 -4.367 13.152 0.655 1.00 0.00 C ATOM 648 SD MET A 45 -4.068 11.770 1.775 1.00 0.00 S ATOM 649 CE MET A 45 -2.662 12.381 2.700 1.00 0.00 C ATOM 0 H MET A 45 -5.368 12.486 -1.762 1.00 0.00 H new ATOM 0 HA MET A 45 -6.839 11.592 0.600 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.944 14.408 -0.059 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.244 13.706 1.518 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.968 12.909 -0.330 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.824 14.027 1.012 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.184 11.553 3.224 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.947 12.839 2.016 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.998 13.124 3.424 1.00 0.00 H new ATOM 659 N THR A 46 -9.092 12.212 -0.219 1.00 0.00 N ATOM 660 CA THR A 46 -10.448 12.631 -0.558 1.00 0.00 C ATOM 661 C THR A 46 -11.454 12.105 0.468 1.00 0.00 C ATOM 662 O THR A 46 -12.038 12.883 1.223 1.00 0.00 O ATOM 663 CB THR A 46 -10.821 12.162 -1.966 1.00 0.00 C ATOM 664 OG1 THR A 46 -9.918 11.168 -2.421 1.00 0.00 O ATOM 665 CG2 THR A 46 -10.826 13.279 -2.987 1.00 0.00 C ATOM 0 H THR A 46 -9.038 11.324 0.280 1.00 0.00 H new ATOM 0 HA THR A 46 -10.481 13.720 -0.538 1.00 0.00 H new ATOM 0 HB THR A 46 -11.833 11.766 -1.879 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.175 10.880 -3.322 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.098 12.878 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.550 14.039 -2.692 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.833 13.726 -3.042 1.00 0.00 H new ATOM 673 N PRO A 47 -11.674 10.775 0.519 1.00 0.00 N ATOM 674 CA PRO A 47 -12.615 10.173 1.467 1.00 0.00 C ATOM 675 C PRO A 47 -12.072 10.171 2.892 1.00 0.00 C ATOM 676 O PRO A 47 -12.789 10.485 3.841 1.00 0.00 O ATOM 677 CB PRO A 47 -12.765 8.742 0.951 1.00 0.00 C ATOM 678 CG PRO A 47 -11.476 8.454 0.265 1.00 0.00 C ATOM 679 CD PRO A 47 -11.025 9.758 -0.335 1.00 0.00 C ATOM 0 HA PRO A 47 -13.555 10.723 1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -12.944 8.043 1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.608 8.654 0.265 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.736 8.072 0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.605 7.694 -0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.939 9.853 -0.318 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.337 9.850 -1.375 1.00 0.00 H new ATOM 687 N HIS A 48 -10.799 9.818 3.031 1.00 0.00 N ATOM 688 CA HIS A 48 -10.153 9.774 4.337 1.00 0.00 C ATOM 689 C HIS A 48 -8.653 10.022 4.205 1.00 0.00 C ATOM 690 O HIS A 48 -8.028 9.597 3.234 1.00 0.00 O ATOM 691 CB HIS A 48 -10.400 8.424 5.022 1.00 0.00 C ATOM 692 CG HIS A 48 -10.620 7.288 4.069 1.00 0.00 C ATOM 693 ND1 HIS A 48 -11.871 6.792 3.765 1.00 0.00 N ATOM 694 CD2 HIS A 48 -9.740 6.549 3.351 1.00 0.00 C ATOM 695 CE1 HIS A 48 -11.751 5.797 2.903 1.00 0.00 C ATOM 696 NE2 HIS A 48 -10.468 5.631 2.636 1.00 0.00 N ATOM 0 H HIS A 48 -10.193 9.558 2.253 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.587 10.562 4.952 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.547 8.190 5.659 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.270 8.512 5.673 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -12.751 7.139 4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.666 6.661 3.343 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -12.563 5.219 2.488 1.00 0.00 H new ATOM 705 N TRP A 49 -8.083 10.718 5.184 1.00 0.00 N ATOM 706 CA TRP A 49 -6.656 11.027 5.174 1.00 0.00 C ATOM 707 C TRP A 49 -5.822 9.759 5.019 1.00 0.00 C ATOM 708 O TRP A 49 -6.345 8.647 5.077 1.00 0.00 O ATOM 709 CB TRP A 49 -6.262 11.762 6.457 1.00 0.00 C ATOM 710 CG TRP A 49 -5.849 13.183 6.222 1.00 0.00 C ATOM 711 CD1 TRP A 49 -6.672 14.253 6.015 1.00 0.00 C ATOM 712 CD2 TRP A 49 -4.511 13.691 6.167 1.00 0.00 C ATOM 713 NE1 TRP A 49 -5.929 15.392 5.835 1.00 0.00 N ATOM 714 CE2 TRP A 49 -4.600 15.074 5.924 1.00 0.00 C ATOM 715 CE3 TRP A 49 -3.247 13.111 6.302 1.00 0.00 C ATOM 716 CZ2 TRP A 49 -3.476 15.885 5.812 1.00 0.00 C ATOM 717 CZ3 TRP A 49 -2.129 13.919 6.189 1.00 0.00 C ATOM 718 CH2 TRP A 49 -2.251 15.293 5.947 1.00 0.00 C ATOM 0 H TRP A 49 -8.587 11.079 5.994 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.457 11.673 4.319 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.103 11.745 7.150 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.442 11.227 6.937 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.751 14.209 5.996 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.305 16.324 5.663 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.144 12.053 6.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.567 16.945 5.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.146 13.483 6.289 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -1.359 15.897 5.865 1.00 0.00 H new ATOM 729 N HIS A 50 -4.519 9.936 4.818 1.00 0.00 N ATOM 730 CA HIS A 50 -3.610 8.809 4.652 1.00 0.00 C ATOM 731 C HIS A 50 -2.398 8.950 5.566 1.00 0.00 C ATOM 732 O HIS A 50 -2.188 9.999 6.176 1.00 0.00 O ATOM 733 CB HIS A 50 -3.149 8.709 3.196 1.00 0.00 C ATOM 734 CG HIS A 50 -4.225 8.266 2.254 1.00 0.00 C ATOM 735 ND1 HIS A 50 -5.412 8.948 2.093 1.00 0.00 N ATOM 736 CD2 HIS A 50 -4.286 7.205 1.418 1.00 0.00 C ATOM 737 CE1 HIS A 50 -6.158 8.322 1.200 1.00 0.00 C ATOM 738 NE2 HIS A 50 -5.497 7.263 0.774 1.00 0.00 N ATOM 0 H HIS A 50 -4.070 10.850 4.766 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.147 7.900 4.922 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.775 9.681 2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.315 8.010 3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.524 6.452 1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.142 8.626 0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -5.831 6.596 0.079 1.00 0.00 H new ATOM 747 N ARG A 51 -1.600 7.891 5.652 1.00 0.00 N ATOM 748 CA ARG A 51 -0.406 7.905 6.487 1.00 0.00 C ATOM 749 C ARG A 51 0.628 8.874 5.924 1.00 0.00 C ATOM 750 O ARG A 51 0.298 9.732 5.106 1.00 0.00 O ATOM 751 CB ARG A 51 0.184 6.495 6.594 1.00 0.00 C ATOM 752 CG ARG A 51 0.836 5.999 5.310 1.00 0.00 C ATOM 753 CD ARG A 51 1.387 4.589 5.465 1.00 0.00 C ATOM 754 NE ARG A 51 0.517 3.740 6.279 1.00 0.00 N ATOM 755 CZ ARG A 51 0.584 3.662 7.607 1.00 0.00 C ATOM 756 NH1 ARG A 51 1.480 4.373 8.280 1.00 0.00 N ATOM 757 NH2 ARG A 51 -0.249 2.866 8.263 1.00 0.00 N ATOM 0 H ARG A 51 -1.758 7.015 5.155 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.685 8.242 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.924 6.481 7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.607 5.802 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.106 6.017 4.501 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.642 6.675 5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.511 4.139 4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.376 4.636 5.921 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.183 3.173 5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.125 4.986 7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.524 4.307 9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.938 2.316 7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.200 2.804 9.280 1.00 0.00 H new ATOM 771 N ARG A 52 1.876 8.732 6.358 1.00 0.00 N ATOM 772 CA ARG A 52 2.950 9.597 5.884 1.00 0.00 C ATOM 773 C ARG A 52 3.106 9.473 4.372 1.00 0.00 C ATOM 774 O ARG A 52 3.942 8.714 3.887 1.00 0.00 O ATOM 775 CB ARG A 52 4.267 9.242 6.578 1.00 0.00 C ATOM 776 CG ARG A 52 4.123 9.006 8.074 1.00 0.00 C ATOM 777 CD ARG A 52 5.338 9.510 8.836 1.00 0.00 C ATOM 778 NE ARG A 52 5.188 9.340 10.279 1.00 0.00 N ATOM 779 CZ ARG A 52 4.369 10.070 11.032 1.00 0.00 C ATOM 780 NH1 ARG A 52 3.622 11.021 10.481 1.00 0.00 N ATOM 781 NH2 ARG A 52 4.295 9.851 12.337 1.00 0.00 N ATOM 0 H ARG A 52 2.168 8.028 7.036 1.00 0.00 H new ATOM 0 HA ARG A 52 2.693 10.628 6.126 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.682 8.346 6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.983 10.047 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.228 9.510 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.989 7.941 8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.225 8.975 8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.496 10.564 8.610 1.00 0.00 H new ATOM 0 HE ARG A 52 5.745 8.618 10.737 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.675 11.194 9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.996 11.578 11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.866 9.122 12.765 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.667 10.411 12.913 1.00 0.00 H new ATOM 795 N ILE A 53 2.286 10.215 3.638 1.00 0.00 N ATOM 796 CA ILE A 53 2.316 10.187 2.179 1.00 0.00 C ATOM 797 C ILE A 53 3.714 10.415 1.633 1.00 0.00 C ATOM 798 O ILE A 53 4.597 10.895 2.342 1.00 0.00 O ATOM 799 CB ILE A 53 1.374 11.243 1.572 1.00 0.00 C ATOM 800 CG1 ILE A 53 1.710 12.634 2.112 1.00 0.00 C ATOM 801 CG2 ILE A 53 -0.070 10.881 1.861 1.00 0.00 C ATOM 802 CD1 ILE A 53 1.341 13.756 1.169 1.00 0.00 C ATOM 0 H ILE A 53 1.588 10.847 4.031 1.00 0.00 H new ATOM 0 HA ILE A 53 1.980 9.190 1.893 1.00 0.00 H new ATOM 0 HB ILE A 53 1.513 11.260 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.191 12.782 3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.778 12.684 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.728 11.634 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.295 9.908 1.425 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.226 10.840 2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.608 14.712 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.880 13.634 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.268 13.733 0.978 1.00 0.00 H new ATOM 814 N PRO A 54 3.923 10.060 0.352 1.00 0.00 N ATOM 815 CA PRO A 54 5.216 10.212 -0.340 1.00 0.00 C ATOM 816 C PRO A 54 5.748 11.643 -0.304 1.00 0.00 C ATOM 817 O PRO A 54 5.901 12.288 -1.342 1.00 0.00 O ATOM 818 CB PRO A 54 4.883 9.805 -1.785 1.00 0.00 C ATOM 819 CG PRO A 54 3.402 9.921 -1.872 1.00 0.00 C ATOM 820 CD PRO A 54 2.915 9.470 -0.540 1.00 0.00 C ATOM 0 HA PRO A 54 5.998 9.615 0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.375 10.459 -2.505 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.215 8.789 -1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.096 10.946 -2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.001 9.299 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.911 9.836 -0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.882 8.383 -0.461 1.00 0.00 H new ATOM 828 N LEU A 55 6.030 12.131 0.894 1.00 0.00 N ATOM 829 CA LEU A 55 6.548 13.480 1.072 1.00 0.00 C ATOM 830 C LEU A 55 7.462 13.554 2.292 1.00 0.00 C ATOM 831 O LEU A 55 8.463 14.272 2.289 1.00 0.00 O ATOM 832 CB LEU A 55 5.398 14.477 1.217 1.00 0.00 C ATOM 833 CG LEU A 55 5.824 15.921 1.500 1.00 0.00 C ATOM 834 CD1 LEU A 55 5.473 16.825 0.328 1.00 0.00 C ATOM 835 CD2 LEU A 55 5.176 16.430 2.780 1.00 0.00 C ATOM 0 H LEU A 55 5.908 11.610 1.762 1.00 0.00 H new ATOM 0 HA LEU A 55 7.131 13.739 0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.806 14.462 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.746 14.142 2.024 1.00 0.00 H new ATOM 0 HG LEU A 55 6.906 15.937 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.784 17.846 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.987 16.476 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.396 16.802 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.491 17.457 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.091 16.396 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.481 15.802 3.617 1.00 0.00 H new ATOM 847 N TYR A 56 7.111 12.808 3.336 1.00 0.00 N ATOM 848 CA TYR A 56 7.897 12.787 4.563 1.00 0.00 C ATOM 849 C TYR A 56 8.944 11.679 4.515 1.00 0.00 C ATOM 850 O TYR A 56 10.098 11.891 4.887 1.00 0.00 O ATOM 851 CB TYR A 56 6.988 12.592 5.782 1.00 0.00 C ATOM 852 CG TYR A 56 5.603 13.170 5.607 1.00 0.00 C ATOM 853 CD1 TYR A 56 4.606 12.440 4.975 1.00 0.00 C ATOM 854 CD2 TYR A 56 5.293 14.442 6.069 1.00 0.00 C ATOM 855 CE1 TYR A 56 3.341 12.959 4.807 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.026 14.971 5.904 1.00 0.00 C ATOM 857 CZ TYR A 56 3.054 14.225 5.272 1.00 0.00 C ATOM 858 OH TYR A 56 1.791 14.745 5.106 1.00 0.00 O ATOM 0 H TYR A 56 6.285 12.209 3.355 1.00 0.00 H new ATOM 0 HA TYR A 56 8.407 13.746 4.652 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.903 11.526 5.994 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.457 13.053 6.651 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.826 11.448 4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.053 15.027 6.565 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.577 12.377 4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.799 15.962 6.268 1.00 0.00 H new ATOM 0 HH TYR A 56 1.755 15.646 5.491 1.00 0.00 H new ATOM 868 N TYR A 57 8.540 10.497 4.053 1.00 0.00 N ATOM 869 CA TYR A 57 9.462 9.371 3.961 1.00 0.00 C ATOM 870 C TYR A 57 10.258 9.425 2.659 1.00 0.00 C ATOM 871 O TYR A 57 9.805 10.001 1.668 1.00 0.00 O ATOM 872 CB TYR A 57 8.709 8.043 4.080 1.00 0.00 C ATOM 873 CG TYR A 57 7.792 7.740 2.916 1.00 0.00 C ATOM 874 CD1 TYR A 57 6.471 8.162 2.920 1.00 0.00 C ATOM 875 CD2 TYR A 57 8.248 7.020 1.820 1.00 0.00 C ATOM 876 CE1 TYR A 57 5.629 7.876 1.861 1.00 0.00 C ATOM 877 CE2 TYR A 57 7.411 6.730 0.759 1.00 0.00 C ATOM 878 CZ TYR A 57 6.103 7.161 0.785 1.00 0.00 C ATOM 879 OH TYR A 57 5.266 6.875 -0.270 1.00 0.00 O ATOM 0 H TYR A 57 7.590 10.297 3.740 1.00 0.00 H new ATOM 0 HA TYR A 57 10.165 9.441 4.791 1.00 0.00 H new ATOM 0 HB2 TYR A 57 9.434 7.235 4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 57 8.121 8.053 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.094 8.722 3.763 1.00 0.00 H new ATOM 0 HD2 TYR A 57 9.273 6.681 1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.603 8.213 1.878 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.781 6.168 -0.086 1.00 0.00 H new ATOM 0 HH TYR A 57 4.335 6.907 0.033 1.00 0.00 H new ATOM 889 N PRO A 58 11.468 8.838 2.646 1.00 0.00 N ATOM 890 CA PRO A 58 12.341 8.837 1.463 1.00 0.00 C ATOM 891 C PRO A 58 11.805 7.978 0.318 1.00 0.00 C ATOM 892 O PRO A 58 12.483 7.061 -0.146 1.00 0.00 O ATOM 893 CB PRO A 58 13.658 8.262 1.993 1.00 0.00 C ATOM 894 CG PRO A 58 13.265 7.442 3.172 1.00 0.00 C ATOM 895 CD PRO A 58 12.090 8.144 3.791 1.00 0.00 C ATOM 0 HA PRO A 58 12.431 9.835 1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.158 7.656 1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.351 9.055 2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.000 6.428 2.871 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.088 7.359 3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.401 7.440 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.402 8.845 4.565 1.00 0.00 H new ATOM 903 N ASN A 59 10.592 8.297 -0.139 1.00 0.00 N ATOM 904 CA ASN A 59 9.942 7.580 -1.246 1.00 0.00 C ATOM 905 C ASN A 59 10.472 6.153 -1.411 1.00 0.00 C ATOM 906 O ASN A 59 11.178 5.853 -2.374 1.00 0.00 O ATOM 907 CB ASN A 59 10.125 8.358 -2.550 1.00 0.00 C ATOM 908 CG ASN A 59 9.826 9.838 -2.390 1.00 0.00 C ATOM 909 OD1 ASN A 59 10.521 10.687 -2.949 1.00 0.00 O ATOM 910 ND2 ASN A 59 8.787 10.154 -1.624 1.00 0.00 N ATOM 0 H ASN A 59 10.031 9.058 0.245 1.00 0.00 H new ATOM 0 HA ASN A 59 8.882 7.505 -1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.149 8.233 -2.903 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.471 7.939 -3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.538 11.133 -1.480 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.238 9.418 -1.180 1.00 0.00 H new ATOM 917 N ALA A 60 10.128 5.280 -0.469 1.00 0.00 N ATOM 918 CA ALA A 60 10.565 3.890 -0.515 1.00 0.00 C ATOM 919 C ALA A 60 10.157 3.226 -1.825 1.00 0.00 C ATOM 920 O ALA A 60 10.921 2.458 -2.410 1.00 0.00 O ATOM 921 CB ALA A 60 9.998 3.119 0.668 1.00 0.00 C ATOM 0 H ALA A 60 9.547 5.512 0.337 1.00 0.00 H new ATOM 0 HA ALA A 60 11.653 3.877 -0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.332 2.083 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.346 3.571 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.909 3.151 0.635 1.00 0.00 H new ATOM 927 N GLY A 61 8.944 3.528 -2.283 1.00 0.00 N ATOM 928 CA GLY A 61 8.454 2.953 -3.521 1.00 0.00 C ATOM 929 C GLY A 61 7.110 2.273 -3.353 1.00 0.00 C ATOM 930 O GLY A 61 6.984 1.069 -3.573 1.00 0.00 O ATOM 0 H GLY A 61 8.293 4.161 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.369 3.737 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.179 2.230 -3.894 1.00 0.00 H new ATOM 934 N LEU A 62 6.103 3.048 -2.965 1.00 0.00 N ATOM 935 CA LEU A 62 4.760 2.515 -2.772 1.00 0.00 C ATOM 936 C LEU A 62 3.991 2.505 -4.088 1.00 0.00 C ATOM 937 O LEU A 62 3.967 3.502 -4.811 1.00 0.00 O ATOM 938 CB LEU A 62 4.006 3.342 -1.727 1.00 0.00 C ATOM 939 CG LEU A 62 4.629 3.348 -0.330 1.00 0.00 C ATOM 940 CD1 LEU A 62 5.949 4.104 -0.336 1.00 0.00 C ATOM 941 CD2 LEU A 62 3.668 3.959 0.679 1.00 0.00 C ATOM 0 H LEU A 62 6.192 4.047 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 62 4.846 1.489 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.937 4.370 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.987 2.962 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 62 4.826 2.317 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.377 4.097 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.640 3.624 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.777 5.133 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.127 3.955 1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.439 4.985 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.748 3.376 0.704 1.00 0.00 H new ATOM 953 N THR A 63 3.370 1.373 -4.400 1.00 0.00 N ATOM 954 CA THR A 63 2.609 1.236 -5.636 1.00 0.00 C ATOM 955 C THR A 63 1.224 1.872 -5.504 1.00 0.00 C ATOM 956 O THR A 63 0.201 1.198 -5.634 1.00 0.00 O ATOM 957 CB THR A 63 2.483 -0.242 -6.025 1.00 0.00 C ATOM 958 OG1 THR A 63 2.859 -1.081 -4.946 1.00 0.00 O ATOM 959 CG2 THR A 63 3.336 -0.619 -7.218 1.00 0.00 C ATOM 0 H THR A 63 3.379 0.538 -3.815 1.00 0.00 H new ATOM 0 HA THR A 63 3.148 1.762 -6.424 1.00 0.00 H new ATOM 0 HB THR A 63 1.434 -0.384 -6.286 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.770 -2.019 -5.215 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.201 -1.677 -7.442 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.037 -0.025 -8.081 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.385 -0.427 -6.991 1.00 0.00 H new ATOM 967 N ARG A 64 1.206 3.176 -5.252 1.00 0.00 N ATOM 968 CA ARG A 64 -0.044 3.915 -5.110 1.00 0.00 C ATOM 969 C ARG A 64 -0.925 3.322 -4.004 1.00 0.00 C ATOM 970 O ARG A 64 -0.731 3.623 -2.827 1.00 0.00 O ATOM 971 CB ARG A 64 -0.793 3.943 -6.448 1.00 0.00 C ATOM 972 CG ARG A 64 -0.067 4.719 -7.534 1.00 0.00 C ATOM 973 CD ARG A 64 -0.436 4.214 -8.919 1.00 0.00 C ATOM 974 NE ARG A 64 0.564 3.294 -9.451 1.00 0.00 N ATOM 975 CZ ARG A 64 0.461 2.685 -10.631 1.00 0.00 C ATOM 976 NH1 ARG A 64 -0.596 2.899 -11.406 1.00 0.00 N ATOM 977 NH2 ARG A 64 1.417 1.863 -11.040 1.00 0.00 N ATOM 0 H ARG A 64 2.045 3.745 -5.141 1.00 0.00 H new ATOM 0 HA ARG A 64 0.197 4.938 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.951 2.920 -6.788 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.778 4.384 -6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.314 5.778 -7.454 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.010 4.631 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.403 3.713 -8.876 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.546 5.061 -9.596 1.00 0.00 H new ATOM 0 HE ARG A 64 1.392 3.106 -8.885 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.334 3.532 -11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.670 2.430 -12.309 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.233 1.696 -10.451 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.337 1.397 -11.944 1.00 0.00 H new ATOM 991 N ASN A 65 -1.896 2.487 -4.384 1.00 0.00 N ATOM 992 CA ASN A 65 -2.797 1.872 -3.416 1.00 0.00 C ATOM 993 C ASN A 65 -2.660 0.355 -3.434 1.00 0.00 C ATOM 994 O ASN A 65 -3.656 -0.370 -3.410 1.00 0.00 O ATOM 995 CB ASN A 65 -4.247 2.264 -3.721 1.00 0.00 C ATOM 996 CG ASN A 65 -4.719 1.737 -5.063 1.00 0.00 C ATOM 997 OD1 ASN A 65 -5.407 0.601 -5.043 1.00 0.00 O flip ATOM 998 ND2 ASN A 65 -4.469 2.344 -6.105 1.00 0.00 N flip ATOM 0 H ASN A 65 -2.075 2.224 -5.353 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.527 2.233 -2.424 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.897 1.881 -2.934 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.337 3.350 -3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.937 3.214 -6.073 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.794 1.977 -6.999 1.00 0.00 H new ATOM 1005 N TYR A 66 -1.425 -0.125 -3.487 1.00 0.00 N ATOM 1006 CA TYR A 66 -1.172 -1.557 -3.521 1.00 0.00 C ATOM 1007 C TYR A 66 -1.021 -2.132 -2.118 1.00 0.00 C ATOM 1008 O TYR A 66 0.058 -2.062 -1.531 1.00 0.00 O ATOM 1009 CB TYR A 66 0.076 -1.857 -4.350 1.00 0.00 C ATOM 1010 CG TYR A 66 -0.234 -2.185 -5.790 1.00 0.00 C ATOM 1011 CD1 TYR A 66 -1.171 -1.445 -6.500 1.00 0.00 C ATOM 1012 CD2 TYR A 66 0.404 -3.234 -6.441 1.00 0.00 C ATOM 1013 CE1 TYR A 66 -1.465 -1.740 -7.816 1.00 0.00 C ATOM 1014 CE2 TYR A 66 0.116 -3.535 -7.759 1.00 0.00 C ATOM 1015 CZ TYR A 66 -0.818 -2.785 -8.441 1.00 0.00 C ATOM 1016 OH TYR A 66 -1.107 -3.082 -9.754 1.00 0.00 O ATOM 0 H TYR A 66 -0.586 0.455 -3.507 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.034 -2.034 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.743 -0.996 -4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.611 -2.693 -3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.678 -0.625 -6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.136 -3.823 -5.909 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.198 -1.156 -8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.620 -4.353 -8.252 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.564 -3.845 -10.044 1.00 0.00 H new ATOM 1026 N CYS A 67 -2.113 -2.701 -1.595 1.00 0.00 N ATOM 1027 CA CYS A 67 -2.129 -3.307 -0.254 1.00 0.00 C ATOM 1028 C CYS A 67 -0.718 -3.557 0.268 1.00 0.00 C ATOM 1029 O CYS A 67 0.002 -4.414 -0.246 1.00 0.00 O ATOM 1030 CB CYS A 67 -2.913 -4.622 -0.273 1.00 0.00 C ATOM 1031 SG CYS A 67 -3.586 -5.120 1.349 1.00 0.00 S ATOM 0 H CYS A 67 -3.007 -2.756 -2.084 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.619 -2.601 0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.736 -4.530 -0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.262 -5.414 -0.642 1.00 0.00 H new ATOM 1036 N ARG A 68 -0.325 -2.797 1.281 1.00 0.00 N ATOM 1037 CA ARG A 68 1.008 -2.933 1.858 1.00 0.00 C ATOM 1038 C ARG A 68 1.125 -2.184 3.183 1.00 0.00 C ATOM 1039 O ARG A 68 0.194 -1.501 3.610 1.00 0.00 O ATOM 1040 CB ARG A 68 2.065 -2.425 0.869 1.00 0.00 C ATOM 1041 CG ARG A 68 2.207 -0.906 0.839 1.00 0.00 C ATOM 1042 CD ARG A 68 2.166 -0.357 -0.580 1.00 0.00 C ATOM 1043 NE ARG A 68 2.870 -1.220 -1.528 1.00 0.00 N ATOM 1044 CZ ARG A 68 4.190 -1.218 -1.695 1.00 0.00 C ATOM 1045 NH1 ARG A 68 4.957 -0.407 -0.974 1.00 0.00 N ATOM 1046 NH2 ARG A 68 4.747 -2.028 -2.583 1.00 0.00 N ATOM 0 H ARG A 68 -0.906 -2.083 1.720 1.00 0.00 H new ATOM 0 HA ARG A 68 1.179 -3.991 2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.029 -2.865 1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.810 -2.776 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.406 -0.455 1.425 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.147 -0.620 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.128 -0.246 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.612 0.637 -0.596 1.00 0.00 H new ATOM 0 HE ARG A 68 2.316 -1.862 -2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.534 0.218 -0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.968 -0.410 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.164 -2.653 -3.139 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.759 -2.026 -2.711 1.00 0.00 H new ATOM 1060 N ASN A 69 2.284 -2.318 3.822 1.00 0.00 N ATOM 1061 CA ASN A 69 2.539 -1.658 5.096 1.00 0.00 C ATOM 1062 C ASN A 69 3.883 -0.934 5.066 1.00 0.00 C ATOM 1063 O ASN A 69 4.843 -1.418 4.465 1.00 0.00 O ATOM 1064 CB ASN A 69 2.526 -2.681 6.236 1.00 0.00 C ATOM 1065 CG ASN A 69 3.353 -3.913 5.918 1.00 0.00 C ATOM 1066 OD1 ASN A 69 4.172 -3.904 4.999 1.00 0.00 O ATOM 1067 ND2 ASN A 69 3.144 -4.981 6.681 1.00 0.00 N ATOM 0 H ASN A 69 3.062 -2.879 3.476 1.00 0.00 H new ATOM 0 HA ASN A 69 1.750 -0.926 5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.909 -2.214 7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.498 -2.980 6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.673 -5.837 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.455 -4.944 7.432 1.00 0.00 H new ATOM 1074 N PRO A 70 3.973 0.240 5.718 1.00 0.00 N ATOM 1075 CA PRO A 70 5.211 1.026 5.760 1.00 0.00 C ATOM 1076 C PRO A 70 6.335 0.291 6.483 1.00 0.00 C ATOM 1077 O PRO A 70 7.514 0.540 6.232 1.00 0.00 O ATOM 1078 CB PRO A 70 4.814 2.289 6.530 1.00 0.00 C ATOM 1079 CG PRO A 70 3.601 1.904 7.303 1.00 0.00 C ATOM 1080 CD PRO A 70 2.882 0.890 6.463 1.00 0.00 C ATOM 0 HA PRO A 70 5.597 1.229 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.616 2.616 7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.604 3.115 5.851 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.872 1.486 8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.969 2.771 7.495 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.331 0.176 7.076 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.161 1.359 5.794 1.00 0.00 H new ATOM 1088 N ASP A 71 5.965 -0.616 7.383 1.00 0.00 N ATOM 1089 CA ASP A 71 6.944 -1.386 8.141 1.00 0.00 C ATOM 1090 C ASP A 71 6.820 -2.881 7.827 1.00 0.00 C ATOM 1091 O ASP A 71 7.093 -3.304 6.702 1.00 0.00 O ATOM 1092 CB ASP A 71 6.776 -1.119 9.640 1.00 0.00 C ATOM 1093 CG ASP A 71 7.134 0.305 10.018 1.00 0.00 C ATOM 1094 OD1 ASP A 71 7.943 0.927 9.296 1.00 0.00 O ATOM 1095 OD2 ASP A 71 6.605 0.800 11.036 1.00 0.00 O ATOM 0 H ASP A 71 4.994 -0.835 7.605 1.00 0.00 H new ATOM 0 HA ASP A 71 7.944 -1.069 7.846 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.744 -1.320 9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.404 -1.810 10.202 1.00 0.00 H new ATOM 1100 N ALA A 72 6.414 -3.684 8.812 1.00 0.00 N ATOM 1101 CA ALA A 72 6.268 -5.120 8.611 1.00 0.00 C ATOM 1102 C ALA A 72 5.363 -5.739 9.675 1.00 0.00 C ATOM 1103 O ALA A 72 5.507 -5.458 10.866 1.00 0.00 O ATOM 1104 CB ALA A 72 7.634 -5.792 8.617 1.00 0.00 C ATOM 0 H ALA A 72 6.182 -3.363 9.752 1.00 0.00 H new ATOM 0 HA ALA A 72 5.799 -5.281 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.512 -6.865 8.466 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.246 -5.380 7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.123 -5.614 9.575 1.00 0.00 H new ATOM 1110 N GLU A 73 4.433 -6.583 9.238 1.00 0.00 N ATOM 1111 CA GLU A 73 3.505 -7.245 10.150 1.00 0.00 C ATOM 1112 C GLU A 73 2.526 -8.125 9.376 1.00 0.00 C ATOM 1113 O GLU A 73 1.387 -7.730 9.130 1.00 0.00 O ATOM 1114 CB GLU A 73 2.736 -6.212 10.979 1.00 0.00 C ATOM 1115 CG GLU A 73 2.541 -6.620 12.431 1.00 0.00 C ATOM 1116 CD GLU A 73 1.174 -6.240 12.964 1.00 0.00 C ATOM 1117 OE1 GLU A 73 0.709 -5.120 12.662 1.00 0.00 O ATOM 1118 OE2 GLU A 73 0.569 -7.061 13.686 1.00 0.00 O ATOM 0 H GLU A 73 4.302 -6.825 8.256 1.00 0.00 H new ATOM 0 HA GLU A 73 4.085 -7.875 10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.269 -5.262 10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.760 -6.046 10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.676 -7.698 12.523 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.310 -6.149 13.043 1.00 0.00 H new ATOM 1125 N ILE A 74 2.989 -9.316 8.989 1.00 0.00 N ATOM 1126 CA ILE A 74 2.172 -10.266 8.227 1.00 0.00 C ATOM 1127 C ILE A 74 1.262 -9.548 7.229 1.00 0.00 C ATOM 1128 O ILE A 74 1.692 -9.202 6.130 1.00 0.00 O ATOM 1129 CB ILE A 74 1.325 -11.186 9.140 1.00 0.00 C ATOM 1130 CG1 ILE A 74 0.923 -10.462 10.441 1.00 0.00 C ATOM 1131 CG2 ILE A 74 2.084 -12.476 9.428 1.00 0.00 C ATOM 1132 CD1 ILE A 74 0.459 -11.390 11.549 1.00 0.00 C ATOM 0 H ILE A 74 3.932 -9.648 9.192 1.00 0.00 H new ATOM 0 HA ILE A 74 2.874 -10.894 7.679 1.00 0.00 H new ATOM 0 HB ILE A 74 0.402 -11.442 8.619 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.774 -9.883 10.799 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.126 -9.753 10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.481 -13.117 10.071 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.291 -12.993 8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.024 -12.241 9.928 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.195 -10.803 12.429 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.413 -11.951 11.212 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.261 -12.083 11.803 1.00 0.00 H new ATOM 1144 N ARG A 75 0.010 -9.314 7.614 1.00 0.00 N ATOM 1145 CA ARG A 75 -0.935 -8.630 6.750 1.00 0.00 C ATOM 1146 C ARG A 75 -0.732 -7.124 6.837 1.00 0.00 C ATOM 1147 O ARG A 75 -0.709 -6.562 7.933 1.00 0.00 O ATOM 1148 CB ARG A 75 -2.369 -8.984 7.149 1.00 0.00 C ATOM 1149 CG ARG A 75 -3.266 -9.310 5.969 1.00 0.00 C ATOM 1150 CD ARG A 75 -3.142 -10.768 5.569 1.00 0.00 C ATOM 1151 NE ARG A 75 -4.426 -11.331 5.158 1.00 0.00 N ATOM 1152 CZ ARG A 75 -5.321 -11.837 6.005 1.00 0.00 C ATOM 1153 NH1 ARG A 75 -5.082 -11.845 7.310 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -6.461 -12.332 5.544 1.00 0.00 N ATOM 0 H ARG A 75 -0.369 -9.590 8.520 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.763 -8.953 5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.348 -9.838 7.826 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.800 -8.149 7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.302 -9.088 6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.003 -8.675 5.123 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.427 -10.861 4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.745 -11.342 6.407 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.651 -11.337 4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.208 -11.462 7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.772 -12.234 7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.652 -12.325 4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.147 -12.720 6.191 1.00 0.00 H new ATOM 1168 N PRO A 76 -0.594 -6.436 5.692 1.00 0.00 N ATOM 1169 CA PRO A 76 -0.411 -4.988 5.682 1.00 0.00 C ATOM 1170 C PRO A 76 -1.537 -4.296 6.431 1.00 0.00 C ATOM 1171 O PRO A 76 -2.450 -4.955 6.931 1.00 0.00 O ATOM 1172 CB PRO A 76 -0.425 -4.620 4.193 1.00 0.00 C ATOM 1173 CG PRO A 76 -1.001 -5.807 3.498 1.00 0.00 C ATOM 1174 CD PRO A 76 -0.626 -6.996 4.334 1.00 0.00 C ATOM 0 HA PRO A 76 0.509 -4.676 6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.027 -3.729 4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.580 -4.403 3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.084 -5.719 3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.603 -5.899 2.487 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.356 -7.801 4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.340 -7.408 4.043 1.00 0.00 H new ATOM 1182 N TRP A 77 -1.479 -2.976 6.526 1.00 0.00 N ATOM 1183 CA TRP A 77 -2.514 -2.239 7.239 1.00 0.00 C ATOM 1184 C TRP A 77 -2.744 -0.865 6.635 1.00 0.00 C ATOM 1185 O TRP A 77 -2.002 0.082 6.896 1.00 0.00 O ATOM 1186 CB TRP A 77 -2.168 -2.123 8.732 1.00 0.00 C ATOM 1187 CG TRP A 77 -0.731 -2.426 9.055 1.00 0.00 C ATOM 1188 CD1 TRP A 77 -0.164 -3.660 9.234 1.00 0.00 C ATOM 1189 CD2 TRP A 77 0.321 -1.471 9.243 1.00 0.00 C ATOM 1190 NE1 TRP A 77 1.174 -3.525 9.518 1.00 0.00 N ATOM 1191 CE2 TRP A 77 1.495 -2.193 9.529 1.00 0.00 C ATOM 1192 CE3 TRP A 77 0.383 -0.075 9.193 1.00 0.00 C ATOM 1193 CZ2 TRP A 77 2.715 -1.565 9.766 1.00 0.00 C ATOM 1194 CZ3 TRP A 77 1.594 0.546 9.429 1.00 0.00 C ATOM 1195 CH2 TRP A 77 2.746 -0.197 9.712 1.00 0.00 C ATOM 0 H TRP A 77 -0.739 -2.400 6.126 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.443 -2.801 7.139 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.400 -1.113 9.070 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.807 -2.803 9.296 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -0.691 -4.600 9.163 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.823 -4.292 9.692 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.500 0.507 8.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.605 -2.136 9.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.653 1.624 9.395 1.00 0.00 H new ATOM 0 HH2 TRP A 77 3.678 0.319 9.891 1.00 0.00 H new ATOM 1206 N CYS A 78 -3.797 -0.772 5.834 1.00 0.00 N ATOM 1207 CA CYS A 78 -4.167 0.477 5.184 1.00 0.00 C ATOM 1208 C CYS A 78 -5.681 0.646 5.218 1.00 0.00 C ATOM 1209 O CYS A 78 -6.392 -0.188 5.775 1.00 0.00 O ATOM 1210 CB CYS A 78 -3.667 0.514 3.735 1.00 0.00 C ATOM 1211 SG CYS A 78 -2.906 -1.036 3.151 1.00 0.00 S ATOM 0 H CYS A 78 -4.415 -1.554 5.618 1.00 0.00 H new ATOM 0 HA CYS A 78 -3.697 1.298 5.725 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.505 0.760 3.082 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.939 1.319 3.637 1.00 0.00 H new ATOM 1216 N TYR A 79 -6.171 1.723 4.621 1.00 0.00 N ATOM 1217 CA TYR A 79 -7.605 1.985 4.591 1.00 0.00 C ATOM 1218 C TYR A 79 -8.239 1.321 3.369 1.00 0.00 C ATOM 1219 O TYR A 79 -7.692 0.359 2.835 1.00 0.00 O ATOM 1220 CB TYR A 79 -7.864 3.494 4.601 1.00 0.00 C ATOM 1221 CG TYR A 79 -7.184 4.232 5.742 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -6.503 3.547 6.750 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -7.224 5.619 5.809 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.888 4.228 7.785 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.610 6.304 6.842 1.00 0.00 C ATOM 1226 CZ TYR A 79 -5.945 5.604 7.825 1.00 0.00 C ATOM 1227 OH TYR A 79 -5.334 6.283 8.854 1.00 0.00 O ATOM 0 H TYR A 79 -5.601 2.427 4.153 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.066 1.557 5.481 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.524 3.917 3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.939 3.667 4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.456 2.468 6.721 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.744 6.172 5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.366 3.684 8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.652 7.383 6.878 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.466 7.247 8.734 1.00 0.00 H new ATOM 1237 N THR A 80 -9.391 1.819 2.930 1.00 0.00 N ATOM 1238 CA THR A 80 -10.069 1.244 1.774 1.00 0.00 C ATOM 1239 C THR A 80 -10.930 2.287 1.071 1.00 0.00 C ATOM 1240 O THR A 80 -11.381 3.254 1.686 1.00 0.00 O ATOM 1241 CB THR A 80 -10.937 0.057 2.200 1.00 0.00 C ATOM 1242 OG1 THR A 80 -12.179 0.500 2.714 1.00 0.00 O ATOM 1243 CG2 THR A 80 -10.292 -0.819 3.253 1.00 0.00 C ATOM 0 H THR A 80 -9.871 2.613 3.353 1.00 0.00 H new ATOM 0 HA THR A 80 -9.306 0.897 1.077 1.00 0.00 H new ATOM 0 HB THR A 80 -11.071 -0.535 1.294 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.907 0.011 2.277 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.964 -1.639 3.506 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.356 -1.223 2.867 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.091 -0.227 4.146 1.00 0.00 H new ATOM 1251 N MET A 81 -11.162 2.080 -0.221 1.00 0.00 N ATOM 1252 CA MET A 81 -11.975 2.998 -1.009 1.00 0.00 C ATOM 1253 C MET A 81 -13.398 3.056 -0.459 1.00 0.00 C ATOM 1254 O MET A 81 -14.056 4.095 -0.516 1.00 0.00 O ATOM 1255 CB MET A 81 -11.995 2.564 -2.478 1.00 0.00 C ATOM 1256 CG MET A 81 -11.461 3.621 -3.431 1.00 0.00 C ATOM 1257 SD MET A 81 -9.729 3.363 -3.856 1.00 0.00 S ATOM 1258 CE MET A 81 -8.920 4.269 -2.540 1.00 0.00 C ATOM 0 H MET A 81 -10.798 1.284 -0.745 1.00 0.00 H new ATOM 0 HA MET A 81 -11.535 3.993 -0.943 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.403 1.655 -2.588 1.00 0.00 H new ATOM 0 HB3 MET A 81 -13.018 2.315 -2.761 1.00 0.00 H new ATOM 0 HG2 MET A 81 -12.059 3.618 -4.342 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.577 4.605 -2.977 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.842 4.264 -2.704 1.00 0.00 H new ATOM 0 HE2 MET A 81 -9.281 5.298 -2.531 1.00 0.00 H new ATOM 0 HE3 MET A 81 -9.144 3.798 -1.583 1.00 0.00 H new ATOM 1268 N ASP A 82 -13.860 1.930 0.076 1.00 0.00 N ATOM 1269 CA ASP A 82 -15.199 1.845 0.644 1.00 0.00 C ATOM 1270 C ASP A 82 -15.345 2.802 1.826 1.00 0.00 C ATOM 1271 O ASP A 82 -14.736 2.597 2.874 1.00 0.00 O ATOM 1272 CB ASP A 82 -15.490 0.413 1.099 1.00 0.00 C ATOM 1273 CG ASP A 82 -16.975 0.113 1.149 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -17.618 0.460 2.163 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -17.496 -0.471 0.175 1.00 0.00 O ATOM 0 H ASP A 82 -13.325 1.063 0.128 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.916 2.129 -0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.003 -0.287 0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.056 0.253 2.086 1.00 0.00 H new ATOM 1280 N PRO A 83 -16.156 3.866 1.675 1.00 0.00 N ATOM 1281 CA PRO A 83 -16.369 4.849 2.743 1.00 0.00 C ATOM 1282 C PRO A 83 -17.181 4.282 3.906 1.00 0.00 C ATOM 1283 O PRO A 83 -18.197 4.852 4.304 1.00 0.00 O ATOM 1284 CB PRO A 83 -17.144 5.968 2.043 1.00 0.00 C ATOM 1285 CG PRO A 83 -17.840 5.294 0.913 1.00 0.00 C ATOM 1286 CD PRO A 83 -16.923 4.194 0.460 1.00 0.00 C ATOM 0 HA PRO A 83 -15.430 5.175 3.189 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -17.855 6.441 2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -16.474 6.750 1.686 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.803 4.894 1.231 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -18.038 5.995 0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.480 3.333 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -16.272 4.522 -0.350 1.00 0.00 H new ATOM 1294 N SER A 84 -16.723 3.159 4.449 1.00 0.00 N ATOM 1295 CA SER A 84 -17.398 2.513 5.568 1.00 0.00 C ATOM 1296 C SER A 84 -16.451 1.559 6.287 1.00 0.00 C ATOM 1297 O SER A 84 -16.879 0.553 6.855 1.00 0.00 O ATOM 1298 CB SER A 84 -18.632 1.755 5.078 1.00 0.00 C ATOM 1299 OG SER A 84 -19.633 2.648 4.621 1.00 0.00 O ATOM 0 H SER A 84 -15.883 2.676 4.130 1.00 0.00 H new ATOM 0 HA SER A 84 -17.713 3.285 6.270 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.350 1.077 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 84 -19.030 1.141 5.886 1.00 0.00 H new ATOM 0 HG SER A 84 -19.323 3.571 4.732 1.00 0.00 H new ATOM 1305 N VAL A 85 -15.161 1.879 6.254 1.00 0.00 N ATOM 1306 CA VAL A 85 -14.149 1.050 6.894 1.00 0.00 C ATOM 1307 C VAL A 85 -13.178 1.891 7.712 1.00 0.00 C ATOM 1308 O VAL A 85 -13.149 1.805 8.939 1.00 0.00 O ATOM 1309 CB VAL A 85 -13.339 0.251 5.864 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -12.452 -0.759 6.569 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -14.257 -0.438 4.867 1.00 0.00 C ATOM 0 H VAL A 85 -14.793 2.709 5.789 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.686 0.364 7.549 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.706 0.943 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.881 -1.321 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.766 -0.237 7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.071 -1.445 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -13.659 -0.997 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -14.921 -1.121 5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.850 0.310 4.341 1.00 0.00 H new ATOM 1321 N ARG A 86 -12.373 2.688 7.010 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.369 3.549 7.635 1.00 0.00 C ATOM 1323 C ARG A 86 -10.041 2.810 7.797 1.00 0.00 C ATOM 1324 O ARG A 86 -8.983 3.436 7.847 1.00 0.00 O ATOM 1325 CB ARG A 86 -11.849 4.070 8.995 1.00 0.00 C ATOM 1326 CG ARG A 86 -11.349 5.468 9.322 1.00 0.00 C ATOM 1327 CD ARG A 86 -10.058 5.423 10.123 1.00 0.00 C ATOM 1328 NE ARG A 86 -9.945 6.554 11.042 1.00 0.00 N ATOM 1329 CZ ARG A 86 -9.049 6.625 12.023 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -8.185 5.636 12.215 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -9.014 7.690 12.814 1.00 0.00 N ATOM 0 H ARG A 86 -12.398 2.755 5.993 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.217 4.403 6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.939 4.070 9.011 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.519 3.384 9.775 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.186 6.023 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.111 6.005 9.887 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.014 4.491 10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.208 5.424 9.441 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.591 7.335 10.924 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.206 4.816 11.609 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.500 5.696 12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.674 8.454 12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.327 7.744 13.566 1.00 0.00 H new ATOM 1345 N TRP A 87 -10.096 1.482 7.879 1.00 0.00 N ATOM 1346 CA TRP A 87 -8.885 0.681 8.034 1.00 0.00 C ATOM 1347 C TRP A 87 -9.149 -0.793 7.710 1.00 0.00 C ATOM 1348 O TRP A 87 -10.222 -1.322 8.000 1.00 0.00 O ATOM 1349 CB TRP A 87 -8.323 0.858 9.454 1.00 0.00 C ATOM 1350 CG TRP A 87 -7.848 -0.403 10.115 1.00 0.00 C ATOM 1351 CD1 TRP A 87 -8.614 -1.460 10.515 1.00 0.00 C ATOM 1352 CD2 TRP A 87 -6.500 -0.729 10.465 1.00 0.00 C ATOM 1353 NE1 TRP A 87 -7.822 -2.424 11.090 1.00 0.00 N ATOM 1354 CE2 TRP A 87 -6.520 -1.997 11.070 1.00 0.00 C ATOM 1355 CE3 TRP A 87 -5.277 -0.069 10.323 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 -5.363 -2.617 11.534 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 -4.129 -0.685 10.782 1.00 0.00 C ATOM 1358 CH2 TRP A 87 -4.179 -1.949 11.382 1.00 0.00 C ATOM 0 H TRP A 87 -10.960 0.942 7.841 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.138 1.032 7.322 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.493 1.563 9.414 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -9.094 1.309 10.079 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.685 -1.528 10.397 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.149 -3.312 11.470 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -5.230 0.907 9.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.399 -3.592 11.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.178 -0.184 10.676 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.265 -2.406 11.732 1.00 0.00 H new ATOM 1369 N GLU A 88 -8.154 -1.446 7.120 1.00 0.00 N ATOM 1370 CA GLU A 88 -8.253 -2.859 6.759 1.00 0.00 C ATOM 1371 C GLU A 88 -6.870 -3.488 6.701 1.00 0.00 C ATOM 1372 O GLU A 88 -5.856 -2.789 6.684 1.00 0.00 O ATOM 1373 CB GLU A 88 -8.943 -3.039 5.403 1.00 0.00 C ATOM 1374 CG GLU A 88 -10.457 -3.211 5.467 1.00 0.00 C ATOM 1375 CD GLU A 88 -10.939 -3.900 6.732 1.00 0.00 C ATOM 1376 OE1 GLU A 88 -10.565 -5.072 6.949 1.00 0.00 O ATOM 1377 OE2 GLU A 88 -11.689 -3.269 7.504 1.00 0.00 O ATOM 0 H GLU A 88 -7.261 -1.016 6.879 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.850 -3.353 7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.717 -2.174 4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.514 -3.910 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.929 -2.231 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.785 -3.787 4.602 1.00 0.00 H new ATOM 1384 N TYR A 89 -6.841 -4.809 6.663 1.00 0.00 N ATOM 1385 CA TYR A 89 -5.582 -5.545 6.598 1.00 0.00 C ATOM 1386 C TYR A 89 -5.183 -5.831 5.151 1.00 0.00 C ATOM 1387 O TYR A 89 -4.506 -5.028 4.509 1.00 0.00 O ATOM 1388 CB TYR A 89 -5.684 -6.848 7.393 1.00 0.00 C ATOM 1389 CG TYR A 89 -5.572 -6.648 8.882 1.00 0.00 C ATOM 1390 CD1 TYR A 89 -6.359 -5.709 9.532 1.00 0.00 C ATOM 1391 CD2 TYR A 89 -4.676 -7.392 9.639 1.00 0.00 C ATOM 1392 CE1 TYR A 89 -6.258 -5.514 10.892 1.00 0.00 C ATOM 1393 CE2 TYR A 89 -4.568 -7.206 11.002 1.00 0.00 C ATOM 1394 CZ TYR A 89 -5.362 -6.265 11.626 1.00 0.00 C ATOM 1395 OH TYR A 89 -5.260 -6.075 12.985 1.00 0.00 O ATOM 0 H TYR A 89 -7.674 -5.398 6.676 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.805 -4.923 7.043 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.636 -7.329 7.169 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -4.898 -7.528 7.065 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.063 -5.121 8.962 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.053 -8.128 9.153 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.877 -4.777 11.382 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.867 -7.793 11.577 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.584 -6.684 13.351 1.00 0.00 H new ATOM 1405 N CYS A 90 -5.615 -6.982 4.648 1.00 0.00 N ATOM 1406 CA CYS A 90 -5.323 -7.397 3.284 1.00 0.00 C ATOM 1407 C CYS A 90 -6.095 -8.676 2.969 1.00 0.00 C ATOM 1408 O CYS A 90 -6.957 -9.086 3.747 1.00 0.00 O ATOM 1409 CB CYS A 90 -3.821 -7.612 3.094 1.00 0.00 C ATOM 1410 SG CYS A 90 -3.190 -7.112 1.454 1.00 0.00 S ATOM 0 H CYS A 90 -6.176 -7.651 5.174 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.636 -6.611 2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -3.286 -7.053 3.862 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.594 -8.666 3.251 1.00 0.00 H new ATOM 1415 N ASN A 91 -5.801 -9.303 1.839 1.00 0.00 N ATOM 1416 CA ASN A 91 -6.498 -10.528 1.463 1.00 0.00 C ATOM 1417 C ASN A 91 -5.517 -11.611 1.002 1.00 0.00 C ATOM 1418 O ASN A 91 -5.102 -11.645 -0.156 1.00 0.00 O ATOM 1419 CB ASN A 91 -7.536 -10.224 0.378 1.00 0.00 C ATOM 1420 CG ASN A 91 -6.906 -9.824 -0.941 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -6.991 -10.552 -1.930 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -6.266 -8.660 -0.964 1.00 0.00 N ATOM 0 H ASN A 91 -5.094 -8.990 1.173 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.013 -10.916 2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.163 -11.103 0.225 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.190 -9.422 0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.821 -8.339 -1.824 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.219 -8.087 -0.121 1.00 0.00 H new ATOM 1429 N LEU A 92 -5.161 -12.494 1.933 1.00 0.00 N ATOM 1430 CA LEU A 92 -4.243 -13.590 1.665 1.00 0.00 C ATOM 1431 C LEU A 92 -4.377 -14.682 2.732 1.00 0.00 C ATOM 1432 O LEU A 92 -3.999 -14.493 3.886 1.00 0.00 O ATOM 1433 CB LEU A 92 -2.793 -13.097 1.595 1.00 0.00 C ATOM 1434 CG LEU A 92 -2.453 -11.904 2.489 1.00 0.00 C ATOM 1435 CD1 LEU A 92 -0.965 -11.876 2.798 1.00 0.00 C ATOM 1436 CD2 LEU A 92 -2.883 -10.603 1.834 1.00 0.00 C ATOM 0 H LEU A 92 -5.503 -12.466 2.894 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.507 -14.011 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.134 -13.924 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.570 -12.829 0.562 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.999 -12.013 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.742 -11.020 3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.683 -12.795 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.402 -11.793 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.632 -9.767 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.367 -10.487 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.959 -10.620 1.664 1.00 0.00 H new ATOM 1448 N THR A 93 -4.918 -15.820 2.319 1.00 0.00 N ATOM 1449 CA THR A 93 -5.120 -16.970 3.175 1.00 0.00 C ATOM 1450 C THR A 93 -3.841 -17.759 3.298 1.00 0.00 C ATOM 1451 O THR A 93 -3.151 -17.991 2.319 1.00 0.00 O ATOM 1452 CB THR A 93 -6.192 -17.883 2.580 1.00 0.00 C ATOM 1453 OG1 THR A 93 -6.206 -17.796 1.166 1.00 0.00 O ATOM 1454 CG2 THR A 93 -7.574 -17.564 3.077 1.00 0.00 C ATOM 0 H THR A 93 -5.233 -15.968 1.360 1.00 0.00 H new ATOM 0 HA THR A 93 -5.433 -16.614 4.157 1.00 0.00 H new ATOM 0 HB THR A 93 -5.928 -18.890 2.902 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.643 -16.962 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 93 -8.291 -18.245 2.619 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.606 -17.677 4.161 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.828 -16.538 2.812 1.00 0.00 H new ATOM 1462 N ARG A 94 -3.535 -18.188 4.493 1.00 0.00 N ATOM 1463 CA ARG A 94 -2.338 -18.960 4.713 1.00 0.00 C ATOM 1464 C ARG A 94 -2.394 -20.265 3.928 1.00 0.00 C ATOM 1465 O ARG A 94 -3.210 -21.143 4.208 1.00 0.00 O ATOM 1466 CB ARG A 94 -2.210 -19.215 6.201 1.00 0.00 C ATOM 1467 CG ARG A 94 -1.495 -18.099 6.953 1.00 0.00 C ATOM 1468 CD ARG A 94 -0.041 -18.440 7.242 1.00 0.00 C ATOM 1469 NE ARG A 94 0.742 -18.584 6.017 1.00 0.00 N ATOM 1470 CZ ARG A 94 2.069 -18.478 5.968 1.00 0.00 C ATOM 1471 NH1 ARG A 94 2.765 -18.242 7.073 1.00 0.00 N ATOM 1472 NH2 ARG A 94 2.703 -18.612 4.810 1.00 0.00 N ATOM 0 H ARG A 94 -4.095 -18.018 5.328 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.463 -18.413 4.362 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.205 -19.348 6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.671 -20.149 6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.541 -17.181 6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.014 -17.905 7.892 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.398 -17.659 7.863 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.007 -19.367 7.814 1.00 0.00 H new ATOM 0 HE ARG A 94 0.243 -18.777 5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.284 -18.141 7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.781 -18.162 7.029 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.174 -18.796 3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.719 -18.531 4.772 1.00 0.00 H new ATOM 1486 N CYS A 95 -1.524 -20.366 2.926 1.00 0.00 N ATOM 1487 CA CYS A 95 -1.467 -21.542 2.068 1.00 0.00 C ATOM 1488 C CYS A 95 -0.677 -22.674 2.722 1.00 0.00 C ATOM 1489 O CYS A 95 -1.237 -23.722 3.046 1.00 0.00 O ATOM 1490 CB CYS A 95 -0.863 -21.178 0.710 1.00 0.00 C ATOM 1491 SG CYS A 95 -2.090 -21.007 -0.630 1.00 0.00 S ATOM 0 H CYS A 95 -0.846 -19.642 2.689 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.486 -21.897 1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.315 -20.241 0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.139 -21.943 0.430 1.00 0.00 H new ATOM 1496 N PRO A 96 0.636 -22.480 2.933 1.00 0.00 N ATOM 1497 CA PRO A 96 1.497 -23.490 3.557 1.00 0.00 C ATOM 1498 C PRO A 96 0.921 -24.006 4.872 1.00 0.00 C ATOM 1499 O PRO A 96 0.022 -23.398 5.450 1.00 0.00 O ATOM 1500 CB PRO A 96 2.816 -22.741 3.806 1.00 0.00 C ATOM 1501 CG PRO A 96 2.494 -21.298 3.603 1.00 0.00 C ATOM 1502 CD PRO A 96 1.391 -21.270 2.592 1.00 0.00 C ATOM 0 HA PRO A 96 1.609 -24.372 2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.187 -22.923 4.815 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.592 -23.072 3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.182 -20.831 4.537 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.365 -20.748 3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.781 -20.371 2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.772 -21.301 1.571 1.00 0.00 H new ATOM 1510 N VAL A 97 1.447 -25.134 5.339 1.00 0.00 N ATOM 1511 CA VAL A 97 0.986 -25.733 6.587 1.00 0.00 C ATOM 1512 C VAL A 97 -0.484 -26.132 6.493 1.00 0.00 C ATOM 1513 O VAL A 97 -1.237 -25.995 7.458 1.00 0.00 O ATOM 1514 CB VAL A 97 1.174 -24.773 7.775 1.00 0.00 C ATOM 1515 CG1 VAL A 97 0.935 -25.496 9.093 1.00 0.00 C ATOM 1516 CG2 VAL A 97 2.561 -24.148 7.747 1.00 0.00 C ATOM 0 H VAL A 97 2.192 -25.651 4.873 1.00 0.00 H new ATOM 0 HA VAL A 97 1.591 -26.624 6.754 1.00 0.00 H new ATOM 0 HB VAL A 97 0.439 -23.973 7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.073 -24.800 9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.082 -25.888 9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.643 -26.319 9.190 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.673 -23.473 8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.315 -24.933 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.690 -23.590 6.820 1.00 0.00 H new ATOM 1526 N THR A 98 -0.886 -26.627 5.327 1.00 0.00 N ATOM 1527 CA THR A 98 -2.265 -27.046 5.110 1.00 0.00 C ATOM 1528 C THR A 98 -2.509 -28.434 5.691 1.00 0.00 C ATOM 1529 O THR A 98 -3.247 -28.589 6.666 1.00 0.00 O ATOM 1530 CB THR A 98 -2.592 -27.041 3.616 1.00 0.00 C ATOM 1531 OG1 THR A 98 -1.724 -26.169 2.915 1.00 0.00 O ATOM 1532 CG2 THR A 98 -4.013 -26.612 3.316 1.00 0.00 C ATOM 0 H THR A 98 -0.276 -26.748 4.518 1.00 0.00 H new ATOM 0 HA THR A 98 -2.918 -26.338 5.620 1.00 0.00 H new ATOM 0 HB THR A 98 -2.463 -28.073 3.289 1.00 0.00 H new ATOM 0 HG1 THR A 98 -1.835 -25.256 3.253 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.179 -26.630 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.710 -27.295 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.175 -25.601 3.691 1.00 0.00 H new ATOM 1540 N GLU A 99 -1.888 -29.441 5.088 1.00 0.00 N ATOM 1541 CA GLU A 99 -2.038 -30.817 5.548 1.00 0.00 C ATOM 1542 C GLU A 99 -1.160 -31.761 4.733 1.00 0.00 C ATOM 1543 O GLU A 99 -0.469 -32.617 5.287 1.00 0.00 O ATOM 1544 CB GLU A 99 -3.501 -31.253 5.451 1.00 0.00 C ATOM 1545 CG GLU A 99 -4.076 -31.144 4.047 1.00 0.00 C ATOM 1546 CD GLU A 99 -5.581 -31.322 4.019 1.00 0.00 C ATOM 1547 OE1 GLU A 99 -6.093 -32.171 4.778 1.00 0.00 O ATOM 1548 OE2 GLU A 99 -6.247 -30.613 3.236 1.00 0.00 O ATOM 0 H GLU A 99 -1.276 -29.331 4.280 1.00 0.00 H new ATOM 0 HA GLU A 99 -1.721 -30.862 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -3.587 -32.285 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.099 -30.643 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.821 -30.170 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.613 -31.897 3.409 1.00 0.00 H new ATOM 1555 N SER A 100 -1.189 -31.600 3.413 1.00 0.00 N ATOM 1556 CA SER A 100 -0.397 -32.438 2.523 1.00 0.00 C ATOM 1557 C SER A 100 0.098 -31.639 1.320 1.00 0.00 C ATOM 1558 O SER A 100 -0.480 -31.710 0.236 1.00 0.00 O ATOM 1559 CB SER A 100 -1.219 -33.636 2.049 1.00 0.00 C ATOM 1560 OG SER A 100 -2.402 -33.216 1.392 1.00 0.00 O ATOM 0 H SER A 100 -1.753 -30.896 2.937 1.00 0.00 H new ATOM 0 HA SER A 100 0.468 -32.798 3.080 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.621 -34.246 1.372 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.477 -34.264 2.902 1.00 0.00 H new ATOM 0 HG SER A 100 -2.180 -32.535 0.723 1.00 0.00 H new ATOM 1566 N SER A 101 1.169 -30.878 1.522 1.00 0.00 N ATOM 1567 CA SER A 101 1.741 -30.065 0.454 1.00 0.00 C ATOM 1568 C SER A 101 3.000 -30.715 -0.111 1.00 0.00 C ATOM 1569 O SER A 101 3.679 -31.478 0.576 1.00 0.00 O ATOM 1570 CB SER A 101 2.066 -28.663 0.971 1.00 0.00 C ATOM 1571 OG SER A 101 0.900 -27.860 1.036 1.00 0.00 O ATOM 0 H SER A 101 1.658 -30.807 2.414 1.00 0.00 H new ATOM 0 HA SER A 101 1.003 -29.989 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.519 -28.733 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 101 2.800 -28.192 0.317 1.00 0.00 H new ATOM 0 HG SER A 101 1.134 -26.969 1.371 1.00 0.00 H new ATOM 1577 N VAL A 102 3.306 -30.407 -1.367 1.00 0.00 N ATOM 1578 CA VAL A 102 4.483 -30.961 -2.025 1.00 0.00 C ATOM 1579 C VAL A 102 5.761 -30.547 -1.304 1.00 0.00 C ATOM 1580 O VAL A 102 6.853 -30.943 -1.762 1.00 0.00 O ATOM 1581 CB VAL A 102 4.568 -30.511 -3.496 1.00 0.00 C ATOM 1582 CG1 VAL A 102 3.410 -31.082 -4.298 1.00 0.00 C ATOM 1583 CG2 VAL A 102 4.593 -28.993 -3.589 1.00 0.00 C ATOM 1584 OXT VAL A 102 5.660 -29.827 -0.288 1.00 0.00 O ATOM 0 H VAL A 102 2.755 -29.777 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 102 4.384 -32.046 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 102 5.496 -30.894 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.488 -30.753 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.443 -32.171 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.468 -30.732 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 102 4.653 -28.694 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.683 -28.586 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.460 -28.610 -3.051 1.00 0.00 H new TER 1594 VAL A 102