USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 513 hydrogens (6 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 NoAdj-H: A 51 TPO H2 : A 51 TPO N : A 50 LEU C :(H bumps) USER MOD NoAdj-H: A 51 TPO H : A 51 TPO N : A 51 TPO O2P :(H bumps) USER MOD Set 1.1: A 23 CYS SG : rot 66:sc= 0.82 USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 16 HIS : no HE2:sc= -0.307 X(o=-4,f=-3.9) USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.4: A 33 ASN : amide:sc= -3.69! C(o=-4!,f=-4.3!) USER MOD Single : A 1 GLY N :NH3+ 153:sc= 0.78 (180deg=0.371) USER MOD Single : A 2 SER OG : rot -153:sc= 0.552 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 137:sc= -0.322 (180deg=-0.802) USER MOD Single : A 7 THR OG1 : rot 156:sc= 0.2 USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.814 USER MOD Single : A 9 MET CE :methyl -159:sc= -0.0681 (180deg=-1) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 76:sc= -1.13 USER MOD Single : A 27 SER OG : rot 150:sc= -0.0137 USER MOD Single : A 30 GLN : amide:sc= -2.08! C(o=-2.1!,f=-4.5!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 163:sc= -0.0551 (180deg=-0.448) USER MOD Single : A 70 THR OG1 : rot 58:sc= 0.512 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.487 F(o=-2!,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.943 10.661 4.191 1.00100.00 N ATOM 2 CA GLY A 1 -20.689 9.928 3.927 1.00100.00 C ATOM 3 C GLY A 1 -19.792 10.796 3.114 1.00100.00 C ATOM 4 O GLY A 1 -19.948 10.865 1.894 1.00100.00 O ATOM 0 H1 GLY A 1 -22.719 9.983 4.331 1.00100.00 H new ATOM 0 H2 GLY A 1 -21.832 11.241 5.047 1.00100.00 H new ATOM 0 H3 GLY A 1 -22.162 11.276 3.382 1.00100.00 H new ATOM 0 HA2 GLY A 1 -20.205 9.657 4.865 1.00100.00 H new ATOM 0 HA3 GLY A 1 -20.899 8.999 3.397 1.00100.00 H new ATOM 10 N SER A 2 -18.681 11.238 3.755 1.00100.00 N ATOM 11 CA SER A 2 -17.675 12.103 3.179 1.00100.00 C ATOM 12 C SER A 2 -18.289 13.366 2.612 1.00100.00 C ATOM 13 O SER A 2 -18.064 13.717 1.454 1.00100.00 O ATOM 14 CB SER A 2 -16.768 11.377 2.141 1.00100.00 C ATOM 15 OG SER A 2 -15.671 12.198 1.808 1.00100.00 O ATOM 0 H SER A 2 -18.473 10.981 4.720 1.00100.00 H new ATOM 0 HA SER A 2 -17.015 12.396 3.996 1.00100.00 H new ATOM 0 HB2 SER A 2 -16.415 10.431 2.552 1.00100.00 H new ATOM 0 HB3 SER A 2 -17.342 11.141 1.245 1.00100.00 H new ATOM 0 HG SER A 2 -15.364 11.982 0.903 1.00100.00 H new ATOM 21 N THR A 3 -19.106 14.066 3.453 1.00100.00 N ATOM 22 CA THR A 3 -19.838 15.292 3.170 1.00100.00 C ATOM 23 C THR A 3 -21.019 15.001 2.276 1.00100.00 C ATOM 24 O THR A 3 -22.154 15.315 2.638 1.00100.00 O ATOM 25 CB THR A 3 -18.979 16.432 2.625 1.00100.00 C ATOM 26 OG1 THR A 3 -17.927 16.695 3.527 1.00100.00 O ATOM 27 CG2 THR A 3 -19.818 17.697 2.448 1.00100.00 C ATOM 0 H THR A 3 -19.267 13.748 4.409 1.00100.00 H new ATOM 0 HA THR A 3 -20.198 15.660 4.131 1.00100.00 H new ATOM 0 HB THR A 3 -18.577 16.137 1.656 1.00100.00 H new ATOM 0 HG1 THR A 3 -17.373 17.425 3.179 1.00100.00 H new ATOM 0 HG21 THR A 3 -19.190 18.499 2.059 1.00100.00 H new ATOM 0 HG22 THR A 3 -20.630 17.500 1.748 1.00100.00 H new ATOM 0 HG23 THR A 3 -20.233 17.996 3.411 1.00100.00 H new ATOM 35 N ALA A 4 -20.780 14.355 1.113 1.00100.00 N ATOM 36 CA ALA A 4 -21.786 13.980 0.158 1.00100.00 C ATOM 37 C ALA A 4 -22.590 12.841 0.713 1.00100.00 C ATOM 38 O ALA A 4 -22.251 12.250 1.739 1.00100.00 O ATOM 39 CB ALA A 4 -21.197 13.520 -1.188 1.00100.00 C ATOM 0 H ALA A 4 -19.840 14.082 0.826 1.00100.00 H new ATOM 0 HA ALA A 4 -22.395 14.867 -0.020 1.00100.00 H new ATOM 0 HB1 ALA A 4 -22.007 13.250 -1.866 1.00100.00 H new ATOM 0 HB2 ALA A 4 -20.612 14.329 -1.625 1.00100.00 H new ATOM 0 HB3 ALA A 4 -20.555 12.654 -1.027 1.00100.00 H new ATOM 45 N MET A 5 -23.732 12.539 0.064 1.00100.00 N ATOM 46 CA MET A 5 -24.586 11.471 0.495 1.00100.00 C ATOM 47 C MET A 5 -24.042 10.204 -0.111 1.00100.00 C ATOM 48 O MET A 5 -24.277 9.969 -1.296 1.00100.00 O ATOM 49 CB MET A 5 -26.046 11.650 0.023 1.00100.00 C ATOM 50 CG MET A 5 -26.709 12.860 0.685 1.00100.00 C ATOM 51 SD MET A 5 -25.989 14.477 0.288 1.00100.00 S ATOM 52 CE MET A 5 -26.158 14.453 -1.515 1.00100.00 C ATOM 0 H MET A 5 -24.065 13.036 -0.762 1.00100.00 H new ATOM 0 HA MET A 5 -24.599 11.450 1.585 1.00100.00 H new ATOM 0 HB2 MET A 5 -26.066 11.771 -1.060 1.00100.00 H new ATOM 0 HB3 MET A 5 -26.616 10.750 0.254 1.00100.00 H new ATOM 0 HG2 MET A 5 -27.761 12.873 0.401 1.00100.00 H new ATOM 0 HG3 MET A 5 -26.672 12.723 1.766 1.00100.00 H new ATOM 0 HE1 MET A 5 -26.510 15.425 -1.860 1.00100.00 H new ATOM 0 HE2 MET A 5 -25.191 14.236 -1.968 1.00100.00 H new ATOM 0 HE3 MET A 5 -26.875 13.684 -1.803 1.00100.00 H new ATOM 62 N ALA A 6 -22.916 9.735 0.492 1.00100.00 N ATOM 63 CA ALA A 6 -22.170 8.542 0.160 1.00100.00 C ATOM 64 C ALA A 6 -21.793 8.436 -1.302 1.00100.00 C ATOM 65 O ALA A 6 -21.847 7.365 -1.911 1.00100.00 O ATOM 66 CB ALA A 6 -22.870 7.255 0.655 1.00100.00 C ATOM 0 H ALA A 6 -22.496 10.234 1.276 1.00100.00 H new ATOM 0 HA ALA A 6 -21.230 8.643 0.703 1.00100.00 H new ATOM 0 HB1 ALA A 6 -22.271 6.387 0.381 1.00100.00 H new ATOM 0 HB2 ALA A 6 -22.979 7.294 1.739 1.00100.00 H new ATOM 0 HB3 ALA A 6 -23.855 7.176 0.194 1.00100.00 H new ATOM 72 N THR A 7 -21.406 9.599 -1.882 1.00100.00 N ATOM 73 CA THR A 7 -20.989 9.803 -3.252 1.00100.00 C ATOM 74 C THR A 7 -21.948 9.309 -4.317 1.00100.00 C ATOM 75 O THR A 7 -21.545 8.837 -5.382 1.00100.00 O ATOM 76 CB THR A 7 -19.558 9.382 -3.527 1.00100.00 C ATOM 77 OG1 THR A 7 -19.372 8.010 -3.255 1.00100.00 O ATOM 78 CG2 THR A 7 -18.671 10.231 -2.614 1.00100.00 C ATOM 0 H THR A 7 -21.383 10.468 -1.349 1.00100.00 H new ATOM 0 HA THR A 7 -21.022 10.889 -3.344 1.00100.00 H new ATOM 0 HB THR A 7 -19.307 9.533 -4.577 1.00100.00 H new ATOM 0 HG1 THR A 7 -18.615 7.673 -3.778 1.00100.00 H new ATOM 0 HG21 THR A 7 -17.626 9.966 -2.773 1.00100.00 H new ATOM 0 HG22 THR A 7 -18.817 11.286 -2.844 1.00100.00 H new ATOM 0 HG23 THR A 7 -18.938 10.046 -1.573 1.00100.00 H new ATOM 86 N THR A 8 -23.263 9.453 -4.046 1.00100.00 N ATOM 87 CA THR A 8 -24.338 9.066 -4.927 1.00100.00 C ATOM 88 C THR A 8 -24.366 9.901 -6.191 1.00100.00 C ATOM 89 O THR A 8 -24.563 9.360 -7.280 1.00100.00 O ATOM 90 CB THR A 8 -25.687 9.124 -4.224 1.00100.00 C ATOM 91 OG1 THR A 8 -25.665 8.260 -3.109 1.00100.00 O ATOM 92 CG2 THR A 8 -26.810 8.690 -5.165 1.00100.00 C ATOM 0 H THR A 8 -23.596 9.858 -3.171 1.00100.00 H new ATOM 0 HA THR A 8 -24.146 8.032 -5.214 1.00100.00 H new ATOM 0 HB THR A 8 -25.870 10.151 -3.908 1.00100.00 H new ATOM 0 HG1 THR A 8 -25.206 8.700 -2.363 1.00100.00 H new ATOM 0 HG21 THR A 8 -27.764 8.740 -4.640 1.00100.00 H new ATOM 0 HG22 THR A 8 -26.837 9.353 -6.030 1.00100.00 H new ATOM 0 HG23 THR A 8 -26.632 7.667 -5.497 1.00100.00 H new ATOM 100 N MET A 9 -24.092 11.224 -6.063 1.00100.00 N ATOM 101 CA MET A 9 -24.157 12.184 -7.140 1.00100.00 C ATOM 102 C MET A 9 -23.250 11.871 -8.308 1.00100.00 C ATOM 103 O MET A 9 -23.736 11.860 -9.440 1.00100.00 O ATOM 104 CB MET A 9 -23.872 13.602 -6.594 1.00100.00 C ATOM 105 CG MET A 9 -24.122 14.683 -7.644 1.00100.00 C ATOM 106 SD MET A 9 -25.862 14.949 -8.069 1.00100.00 S ATOM 107 CE MET A 9 -25.917 14.092 -9.662 1.00100.00 C ATOM 0 H MET A 9 -23.814 11.641 -5.174 1.00100.00 H new ATOM 0 HA MET A 9 -25.170 12.129 -7.538 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.503 13.789 -5.725 1.00100.00 H new ATOM 0 HB3 MET A 9 -22.837 13.658 -6.255 1.00100.00 H new ATOM 0 HG2 MET A 9 -23.704 15.623 -7.283 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.578 14.420 -8.551 1.00100.00 H new ATOM 0 HE1 MET A 9 -26.768 14.452 -10.240 1.00100.00 H new ATOM 0 HE2 MET A 9 -24.996 14.287 -10.212 1.00100.00 H new ATOM 0 HE3 MET A 9 -26.020 13.020 -9.495 1.00100.00 H new ATOM 117 N GLU A 10 -21.976 11.477 -8.055 1.00100.00 N ATOM 118 CA GLU A 10 -21.007 11.104 -9.072 1.00100.00 C ATOM 119 C GLU A 10 -20.756 12.135 -10.162 1.00100.00 C ATOM 120 O GLU A 10 -20.536 11.776 -11.324 1.00100.00 O ATOM 121 CB GLU A 10 -21.358 9.744 -9.752 1.00100.00 C ATOM 122 CG GLU A 10 -21.420 8.634 -8.704 1.00100.00 C ATOM 123 CD GLU A 10 -21.683 7.279 -9.350 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.548 7.233 -10.250 1.00100.00 O ATOM 125 OE2 GLU A 10 -21.012 6.312 -8.928 1.00100.00 O ATOM 0 H GLU A 10 -21.602 11.414 -7.108 1.00100.00 H new ATOM 0 HA GLU A 10 -20.084 11.024 -8.497 1.00100.00 H new ATOM 0 HB2 GLU A 10 -22.315 9.822 -10.267 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.609 9.502 -10.506 1.00100.00 H new ATOM 0 HG2 GLU A 10 -20.481 8.600 -8.151 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.207 8.855 -7.983 1.00100.00 H new ATOM 132 N GLN A 11 -20.742 13.447 -9.821 1.00100.00 N ATOM 133 CA GLN A 11 -20.495 14.447 -10.839 1.00100.00 C ATOM 134 C GLN A 11 -19.139 15.098 -10.674 1.00100.00 C ATOM 135 O GLN A 11 -18.890 16.170 -11.231 1.00100.00 O ATOM 136 CB GLN A 11 -21.596 15.534 -11.002 1.00100.00 C ATOM 137 CG GLN A 11 -21.771 16.373 -9.744 1.00100.00 C ATOM 138 CD GLN A 11 -22.878 17.409 -9.904 1.00100.00 C ATOM 139 OE1 GLN A 11 -23.376 17.636 -11.006 1.00100.00 O ATOM 140 NE2 GLN A 11 -23.262 18.041 -8.793 1.00100.00 N ATOM 0 H GLN A 11 -20.895 13.809 -8.880 1.00100.00 H new ATOM 0 HA GLN A 11 -20.518 13.873 -11.765 1.00100.00 H new ATOM 0 HB2 GLN A 11 -21.339 16.185 -11.837 1.00100.00 H new ATOM 0 HB3 GLN A 11 -22.543 15.054 -11.251 1.00100.00 H new ATOM 0 HG2 GLN A 11 -22.002 15.721 -8.902 1.00100.00 H new ATOM 0 HG3 GLN A 11 -20.833 16.876 -9.509 1.00100.00 H new ATOM 0 HE21 GLN A 11 -22.820 17.819 -7.901 1.00100.00 H new ATOM 0 HE22 GLN A 11 -23.998 18.746 -8.836 1.00100.00 H new ATOM 149 N GLU A 12 -18.211 14.423 -9.949 1.00100.00 N ATOM 150 CA GLU A 12 -16.872 14.884 -9.663 1.00100.00 C ATOM 151 C GLU A 12 -16.811 16.231 -8.984 1.00100.00 C ATOM 152 O GLU A 12 -16.220 17.190 -9.488 1.00100.00 O ATOM 153 CB GLU A 12 -15.901 14.811 -10.872 1.00100.00 C ATOM 154 CG GLU A 12 -15.744 13.367 -11.348 1.00100.00 C ATOM 155 CD GLU A 12 -14.734 13.254 -12.484 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.954 14.215 -12.665 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.756 12.198 -13.152 1.00100.00 O ATOM 0 H GLU A 12 -18.405 13.508 -9.541 1.00100.00 H new ATOM 0 HA GLU A 12 -16.512 14.157 -8.935 1.00100.00 H new ATOM 0 HB2 GLU A 12 -16.278 15.429 -11.686 1.00100.00 H new ATOM 0 HB3 GLU A 12 -14.929 15.215 -10.590 1.00100.00 H new ATOM 0 HG2 GLU A 12 -15.425 12.742 -10.514 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.710 12.987 -11.681 1.00100.00 H new ATOM 164 N ILE A 13 -17.485 16.322 -7.812 1.00100.00 N ATOM 165 CA ILE A 13 -17.500 17.544 -7.045 1.00100.00 C ATOM 166 C ILE A 13 -16.621 17.425 -5.828 1.00100.00 C ATOM 167 O ILE A 13 -16.716 16.480 -5.041 1.00100.00 O ATOM 168 CB ILE A 13 -18.873 18.066 -6.636 1.00100.00 C ATOM 169 CG1 ILE A 13 -19.723 17.075 -5.827 1.00100.00 C ATOM 170 CG2 ILE A 13 -19.580 18.530 -7.904 1.00100.00 C ATOM 171 CD1 ILE A 13 -20.037 15.759 -6.539 1.00100.00 C ATOM 0 H ILE A 13 -18.016 15.556 -7.398 1.00100.00 H new ATOM 0 HA ILE A 13 -17.109 18.288 -7.739 1.00100.00 H new ATOM 0 HB ILE A 13 -18.731 18.894 -5.941 1.00100.00 H new ATOM 0 HG12 ILE A 13 -19.204 16.851 -4.895 1.00100.00 H new ATOM 0 HG13 ILE A 13 -20.662 17.559 -5.560 1.00100.00 H new ATOM 0 HG21 ILE A 13 -20.569 18.911 -7.650 1.00100.00 H new ATOM 0 HG22 ILE A 13 -18.997 19.320 -8.377 1.00100.00 H new ATOM 0 HG23 ILE A 13 -19.680 17.691 -8.592 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.641 15.128 -5.887 1.00100.00 H new ATOM 0 HD12 ILE A 13 -20.588 15.964 -7.457 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.107 15.245 -6.781 1.00100.00 H new ATOM 183 N CYS A 14 -15.676 18.382 -5.724 1.00100.00 N ATOM 184 CA CYS A 14 -14.728 18.492 -4.644 1.00100.00 C ATOM 185 C CYS A 14 -14.142 19.875 -4.697 1.00100.00 C ATOM 186 O CYS A 14 -14.325 20.621 -5.664 1.00100.00 O ATOM 187 CB CYS A 14 -13.542 17.500 -4.722 1.00100.00 C ATOM 188 SG CYS A 14 -12.502 17.520 -3.239 1.00100.00 S ATOM 0 H CYS A 14 -15.565 19.115 -6.424 1.00100.00 H new ATOM 0 HA CYS A 14 -15.275 18.269 -3.728 1.00100.00 H new ATOM 0 HB2 CYS A 14 -13.928 16.492 -4.874 1.00100.00 H new ATOM 0 HB3 CYS A 14 -12.930 17.742 -5.591 1.00100.00 H new ATOM 193 N ALA A 15 -13.401 20.233 -3.627 1.00100.00 N ATOM 194 CA ALA A 15 -12.721 21.486 -3.462 1.00100.00 C ATOM 195 C ALA A 15 -11.688 21.652 -4.550 1.00100.00 C ATOM 196 O ALA A 15 -11.518 22.757 -5.062 1.00100.00 O ATOM 197 CB ALA A 15 -12.020 21.570 -2.101 1.00100.00 C ATOM 0 H ALA A 15 -13.269 19.610 -2.830 1.00100.00 H new ATOM 0 HA ALA A 15 -13.468 22.278 -3.520 1.00100.00 H new ATOM 0 HB1 ALA A 15 -11.515 22.532 -2.010 1.00100.00 H new ATOM 0 HB2 ALA A 15 -12.758 21.471 -1.305 1.00100.00 H new ATOM 0 HB3 ALA A 15 -11.288 20.767 -2.019 1.00100.00 H new ATOM 203 N HIS A 16 -10.976 20.553 -4.921 1.00100.00 N ATOM 204 CA HIS A 16 -9.984 20.624 -5.956 1.00100.00 C ATOM 205 C HIS A 16 -10.653 20.280 -7.267 1.00100.00 C ATOM 206 O HIS A 16 -10.906 21.194 -8.053 1.00100.00 O ATOM 207 CB HIS A 16 -8.797 19.676 -5.680 1.00100.00 C ATOM 208 CG HIS A 16 -7.627 19.840 -6.607 1.00100.00 C ATOM 209 ND1 HIS A 16 -6.679 20.837 -6.550 1.00100.00 N ATOM 210 CD2 HIS A 16 -7.270 18.978 -7.607 1.00100.00 C ATOM 211 CE1 HIS A 16 -5.772 20.574 -7.508 1.00100.00 C ATOM 212 NE2 HIS A 16 -6.087 19.453 -8.178 1.00100.00 N ATOM 0 H HIS A 16 -11.091 19.629 -4.505 1.00100.00 H new ATOM 0 HA HIS A 16 -9.571 21.632 -5.993 1.00100.00 H new ATOM 0 HB2 HIS A 16 -8.456 19.833 -4.657 1.00100.00 H new ATOM 0 HB3 HIS A 16 -9.151 18.647 -5.744 1.00100.00 H new ATOM 0 HD1 HIS A 16 -6.667 21.626 -5.904 1.00100.00 H new ATOM 0 HD2 HIS A 16 -7.807 18.089 -7.902 1.00100.00 H new ATOM 0 HE1 HIS A 16 -4.904 21.184 -7.712 1.00100.00 H new ATOM 220 N SER A 17 -10.976 18.977 -7.529 1.00100.00 N ATOM 221 CA SER A 17 -11.602 18.613 -8.778 1.00100.00 C ATOM 222 C SER A 17 -12.392 17.334 -8.767 1.00100.00 C ATOM 223 O SER A 17 -13.469 17.273 -9.359 1.00100.00 O ATOM 224 CB SER A 17 -10.583 18.494 -9.946 1.00100.00 C ATOM 225 OG SER A 17 -9.653 17.466 -9.678 1.00100.00 O ATOM 0 H SER A 17 -10.806 18.200 -6.890 1.00100.00 H new ATOM 0 HA SER A 17 -12.294 19.442 -8.927 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.109 18.285 -10.877 1.00100.00 H new ATOM 0 HB3 SER A 17 -10.061 19.441 -10.081 1.00100.00 H new ATOM 0 HG SER A 17 -9.017 17.399 -10.420 1.00100.00 H new ATOM 231 N MET A 18 -11.879 16.296 -8.067 1.00100.00 N ATOM 232 CA MET A 18 -12.454 14.970 -8.022 1.00100.00 C ATOM 233 C MET A 18 -13.628 14.784 -7.099 1.00100.00 C ATOM 234 O MET A 18 -14.422 15.713 -6.981 1.00100.00 O ATOM 235 CB MET A 18 -11.367 13.900 -7.776 1.00100.00 C ATOM 236 CG MET A 18 -10.267 14.007 -8.828 1.00100.00 C ATOM 237 SD MET A 18 -10.861 13.791 -10.524 1.00100.00 S ATOM 238 CE MET A 18 -9.319 14.149 -11.401 1.00100.00 C ATOM 0 H MET A 18 -11.029 16.380 -7.509 1.00100.00 H new ATOM 0 HA MET A 18 -12.884 14.835 -9.015 1.00100.00 H new ATOM 0 HB2 MET A 18 -10.941 14.028 -6.781 1.00100.00 H new ATOM 0 HB3 MET A 18 -11.813 12.906 -7.807 1.00100.00 H new ATOM 0 HG2 MET A 18 -9.787 14.982 -8.742 1.00100.00 H new ATOM 0 HG3 MET A 18 -9.504 13.257 -8.621 1.00100.00 H new ATOM 0 HE1 MET A 18 -9.484 14.066 -12.475 1.00100.00 H new ATOM 0 HE2 MET A 18 -8.990 15.160 -11.161 1.00100.00 H new ATOM 0 HE3 MET A 18 -8.553 13.437 -11.095 1.00100.00 H new ATOM 248 N THR A 19 -14.092 13.514 -6.991 1.00100.00 N ATOM 249 CA THR A 19 -15.212 13.115 -6.171 1.00100.00 C ATOM 250 C THR A 19 -14.863 13.169 -4.707 1.00100.00 C ATOM 251 O THR A 19 -13.687 13.217 -4.342 1.00100.00 O ATOM 252 CB THR A 19 -15.688 11.699 -6.463 1.00100.00 C ATOM 253 OG1 THR A 19 -14.640 10.788 -6.216 1.00100.00 O ATOM 254 CG2 THR A 19 -16.142 11.576 -7.916 1.00100.00 C ATOM 0 H THR A 19 -13.670 12.734 -7.495 1.00100.00 H new ATOM 0 HA THR A 19 -16.006 13.821 -6.414 1.00100.00 H new ATOM 0 HB THR A 19 -16.533 11.472 -5.812 1.00100.00 H new ATOM 0 HG1 THR A 19 -14.948 9.877 -6.403 1.00100.00 H new ATOM 0 HG21 THR A 19 -16.479 10.557 -8.107 1.00100.00 H new ATOM 0 HG22 THR A 19 -16.962 12.270 -8.101 1.00100.00 H new ATOM 0 HG23 THR A 19 -15.310 11.813 -8.579 1.00100.00 H new ATOM 262 N PHE A 20 -15.898 13.164 -3.828 1.00100.00 N ATOM 263 CA PHE A 20 -15.701 13.178 -2.395 1.00100.00 C ATOM 264 C PHE A 20 -14.972 11.961 -1.886 1.00100.00 C ATOM 265 O PHE A 20 -14.363 12.024 -0.816 1.00100.00 O ATOM 266 CB PHE A 20 -16.959 13.431 -1.550 1.00100.00 C ATOM 267 CG PHE A 20 -17.288 14.904 -1.499 1.00100.00 C ATOM 268 CD1 PHE A 20 -16.501 15.756 -0.712 1.00100.00 C ATOM 269 CD2 PHE A 20 -18.336 15.429 -2.266 1.00100.00 C ATOM 270 CE1 PHE A 20 -16.768 17.130 -0.680 1.00100.00 C ATOM 271 CE2 PHE A 20 -18.612 16.803 -2.224 1.00100.00 C ATOM 272 CZ PHE A 20 -17.826 17.654 -1.434 1.00100.00 C ATOM 0 H PHE A 20 -16.878 13.150 -4.112 1.00100.00 H new ATOM 0 HA PHE A 20 -15.068 14.054 -2.257 1.00100.00 H new ATOM 0 HB2 PHE A 20 -17.801 12.881 -1.970 1.00100.00 H new ATOM 0 HB3 PHE A 20 -16.805 13.054 -0.539 1.00100.00 H new ATOM 0 HD1 PHE A 20 -15.687 15.352 -0.129 1.00100.00 H new ATOM 0 HD2 PHE A 20 -18.930 14.777 -2.889 1.00100.00 H new ATOM 0 HE1 PHE A 20 -16.159 17.785 -0.075 1.00100.00 H new ATOM 0 HE2 PHE A 20 -19.431 17.206 -2.801 1.00100.00 H new ATOM 0 HZ PHE A 20 -18.036 18.713 -1.407 1.00100.00 H new ATOM 282 N GLU A 21 -15.017 10.825 -2.630 1.00100.00 N ATOM 283 CA GLU A 21 -14.298 9.614 -2.287 1.00100.00 C ATOM 284 C GLU A 21 -12.817 9.924 -2.338 1.00100.00 C ATOM 285 O GLU A 21 -12.058 9.525 -1.453 1.00100.00 O ATOM 286 CB GLU A 21 -14.520 8.470 -3.295 1.00100.00 C ATOM 287 CG GLU A 21 -15.998 8.172 -3.528 1.00100.00 C ATOM 288 CD GLU A 21 -16.185 6.908 -4.358 1.00100.00 C ATOM 289 OE1 GLU A 21 -15.375 6.710 -5.288 1.00100.00 O ATOM 290 OE2 GLU A 21 -17.141 6.165 -4.047 1.00100.00 O ATOM 0 H GLU A 21 -15.563 10.744 -3.487 1.00100.00 H new ATOM 0 HA GLU A 21 -14.656 9.298 -1.307 1.00100.00 H new ATOM 0 HB2 GLU A 21 -14.052 8.731 -4.244 1.00100.00 H new ATOM 0 HB3 GLU A 21 -14.024 7.570 -2.932 1.00100.00 H new ATOM 0 HG2 GLU A 21 -16.503 8.058 -2.569 1.00100.00 H new ATOM 0 HG3 GLU A 21 -16.465 9.015 -4.036 1.00100.00 H new ATOM 297 N GLU A 22 -12.404 10.687 -3.381 1.00100.00 N ATOM 298 CA GLU A 22 -11.041 11.090 -3.613 1.00100.00 C ATOM 299 C GLU A 22 -10.748 12.464 -3.051 1.00100.00 C ATOM 300 O GLU A 22 -9.670 13.008 -3.297 1.00100.00 O ATOM 301 CB GLU A 22 -10.670 11.068 -5.117 1.00100.00 C ATOM 302 CG GLU A 22 -10.741 9.647 -5.675 1.00100.00 C ATOM 303 CD GLU A 22 -9.726 8.732 -5.000 1.00100.00 C ATOM 304 OE1 GLU A 22 -8.608 9.220 -4.723 1.00100.00 O ATOM 305 OE2 GLU A 22 -10.085 7.556 -4.778 1.00100.00 O ATOM 0 H GLU A 22 -13.048 11.036 -4.091 1.00100.00 H new ATOM 0 HA GLU A 22 -10.428 10.357 -3.089 1.00100.00 H new ATOM 0 HB2 GLU A 22 -11.348 11.716 -5.673 1.00100.00 H new ATOM 0 HB3 GLU A 22 -9.665 11.467 -5.254 1.00100.00 H new ATOM 0 HG2 GLU A 22 -11.745 9.248 -5.531 1.00100.00 H new ATOM 0 HG3 GLU A 22 -10.557 9.667 -6.749 1.00100.00 H new ATOM 312 N CYS A 23 -11.681 13.048 -2.248 1.00100.00 N ATOM 313 CA CYS A 23 -11.528 14.356 -1.651 1.00100.00 C ATOM 314 C CYS A 23 -10.318 14.427 -0.753 1.00100.00 C ATOM 315 O CYS A 23 -9.631 15.444 -0.858 1.00100.00 O ATOM 316 CB CYS A 23 -12.763 14.865 -0.874 1.00100.00 C ATOM 317 SG CYS A 23 -12.429 16.482 -0.129 1.00100.00 S ATOM 0 H CYS A 23 -12.564 12.596 -2.009 1.00100.00 H new ATOM 0 HA CYS A 23 -11.399 15.017 -2.508 1.00100.00 H new ATOM 0 HB2 CYS A 23 -13.617 14.939 -1.547 1.00100.00 H new ATOM 0 HB3 CYS A 23 -13.030 14.149 -0.097 1.00100.00 H new ATOM 0 HG CYS A 23 -12.265 17.367 -1.067 1.00100.00 H new ATOM 322 N PRO A 24 -9.985 13.422 0.133 1.00100.00 N ATOM 323 CA PRO A 24 -8.790 13.491 0.953 1.00100.00 C ATOM 324 C PRO A 24 -7.542 13.573 0.110 1.00100.00 C ATOM 325 O PRO A 24 -6.618 14.287 0.503 1.00100.00 O ATOM 326 CB PRO A 24 -8.812 12.259 1.850 1.00100.00 C ATOM 327 CG PRO A 24 -10.288 11.852 1.856 1.00100.00 C ATOM 328 CD PRO A 24 -10.779 12.261 0.467 1.00100.00 C ATOM 0 HA PRO A 24 -8.778 14.397 1.559 1.00100.00 H new ATOM 0 HB2 PRO A 24 -8.178 11.464 1.457 1.00100.00 H new ATOM 0 HB3 PRO A 24 -8.454 12.486 2.854 1.00100.00 H new ATOM 0 HG2 PRO A 24 -10.408 10.782 2.025 1.00100.00 H new ATOM 0 HG3 PRO A 24 -10.842 12.363 2.644 1.00100.00 H new ATOM 0 HD2 PRO A 24 -10.635 11.459 -0.257 1.00100.00 H new ATOM 0 HD3 PRO A 24 -11.843 12.496 0.475 1.00100.00 H new ATOM 336 N LYS A 25 -7.511 12.842 -1.037 1.00100.00 N ATOM 337 CA LYS A 25 -6.407 12.831 -1.965 1.00100.00 C ATOM 338 C LYS A 25 -6.231 14.202 -2.563 1.00100.00 C ATOM 339 O LYS A 25 -5.114 14.713 -2.619 1.00100.00 O ATOM 340 CB LYS A 25 -6.628 11.860 -3.143 1.00100.00 C ATOM 341 CG LYS A 25 -5.414 11.843 -4.073 1.00100.00 C ATOM 342 CD LYS A 25 -5.660 10.914 -5.259 1.00100.00 C ATOM 343 CE LYS A 25 -6.751 11.496 -6.156 1.00100.00 C ATOM 344 NZ LYS A 25 -7.001 10.627 -7.316 1.00100.00 N ATOM 0 H LYS A 25 -8.282 12.240 -1.325 1.00100.00 H new ATOM 0 HA LYS A 25 -5.534 12.513 -1.395 1.00100.00 H new ATOM 0 HB2 LYS A 25 -6.813 10.856 -2.762 1.00100.00 H new ATOM 0 HB3 LYS A 25 -7.515 12.157 -3.702 1.00100.00 H new ATOM 0 HG2 LYS A 25 -5.209 12.852 -4.431 1.00100.00 H new ATOM 0 HG3 LYS A 25 -4.532 11.514 -3.523 1.00100.00 H new ATOM 0 HD2 LYS A 25 -4.739 10.785 -5.828 1.00100.00 H new ATOM 0 HD3 LYS A 25 -5.957 9.927 -4.904 1.00100.00 H new ATOM 0 HE2 LYS A 25 -7.671 11.617 -5.584 1.00100.00 H new ATOM 0 HE3 LYS A 25 -6.455 12.488 -6.498 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -7.746 11.045 -7.909 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -6.128 10.532 -7.873 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -7.306 9.689 -6.987 1.00100.00 H new ATOM 358 N CYS A 26 -7.356 14.834 -2.980 1.00100.00 N ATOM 359 CA CYS A 26 -7.388 16.143 -3.580 1.00100.00 C ATOM 360 C CYS A 26 -6.877 17.180 -2.624 1.00100.00 C ATOM 361 O CYS A 26 -6.112 18.068 -3.016 1.00100.00 O ATOM 362 CB CYS A 26 -8.808 16.538 -4.011 1.00100.00 C ATOM 363 SG CYS A 26 -9.295 15.582 -5.466 1.00100.00 S ATOM 0 H CYS A 26 -8.281 14.414 -2.895 1.00100.00 H new ATOM 0 HA CYS A 26 -6.748 16.098 -4.461 1.00100.00 H new ATOM 0 HB2 CYS A 26 -9.509 16.358 -3.195 1.00100.00 H new ATOM 0 HB3 CYS A 26 -8.846 17.604 -4.235 1.00100.00 H new ATOM 0 HG CYS A 26 -9.594 14.369 -5.108 1.00100.00 H new ATOM 369 N SER A 27 -7.293 17.060 -1.340 1.00100.00 N ATOM 370 CA SER A 27 -6.896 17.947 -0.290 1.00100.00 C ATOM 371 C SER A 27 -5.420 17.855 -0.066 1.00100.00 C ATOM 372 O SER A 27 -4.758 18.880 0.032 1.00100.00 O ATOM 373 CB SER A 27 -7.606 17.665 1.033 1.00100.00 C ATOM 374 OG SER A 27 -7.287 18.672 1.965 1.00100.00 O ATOM 0 H SER A 27 -7.924 16.322 -1.030 1.00100.00 H new ATOM 0 HA SER A 27 -7.179 18.948 -0.616 1.00100.00 H new ATOM 0 HB2 SER A 27 -8.684 17.628 0.878 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.305 16.691 1.418 1.00100.00 H new ATOM 0 HG SER A 27 -8.036 18.793 2.585 1.00100.00 H new ATOM 380 N ALA A 28 -4.878 16.619 -0.028 1.00100.00 N ATOM 381 CA ALA A 28 -3.478 16.365 0.172 1.00100.00 C ATOM 382 C ALA A 28 -2.636 16.909 -0.947 1.00100.00 C ATOM 383 O ALA A 28 -1.567 17.471 -0.705 1.00100.00 O ATOM 384 CB ALA A 28 -3.167 14.863 0.295 1.00100.00 C ATOM 0 H ALA A 28 -5.431 15.769 -0.140 1.00100.00 H new ATOM 0 HA ALA A 28 -3.232 16.872 1.105 1.00100.00 H new ATOM 0 HB1 ALA A 28 -2.096 14.724 0.445 1.00100.00 H new ATOM 0 HB2 ALA A 28 -3.709 14.448 1.144 1.00100.00 H new ATOM 0 HB3 ALA A 28 -3.475 14.352 -0.617 1.00100.00 H new ATOM 390 N LEU A 29 -3.132 16.766 -2.198 1.00100.00 N ATOM 391 CA LEU A 29 -2.445 17.190 -3.389 1.00100.00 C ATOM 392 C LEU A 29 -2.155 18.655 -3.447 1.00100.00 C ATOM 393 O LEU A 29 -1.002 19.013 -3.697 1.00100.00 O ATOM 394 CB LEU A 29 -3.250 16.894 -4.676 1.00100.00 C ATOM 395 CG LEU A 29 -2.704 15.688 -5.445 1.00100.00 C ATOM 396 CD1 LEU A 29 -2.585 14.437 -4.575 1.00100.00 C ATOM 397 CD2 LEU A 29 -3.654 15.397 -6.607 1.00100.00 C ATOM 0 H LEU A 29 -4.040 16.342 -2.386 1.00100.00 H new ATOM 0 HA LEU A 29 -1.517 16.620 -3.339 1.00100.00 H new ATOM 0 HB2 LEU A 29 -4.293 16.713 -4.415 1.00100.00 H new ATOM 0 HB3 LEU A 29 -3.231 17.772 -5.322 1.00100.00 H new ATOM 0 HG LEU A 29 -1.701 15.934 -5.792 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.193 13.614 -5.173 1.00100.00 H new ATOM 0 HD12 LEU A 29 -1.909 14.635 -3.743 1.00100.00 H new ATOM 0 HD13 LEU A 29 -3.568 14.168 -4.188 1.00100.00 H new ATOM 0 HD21 LEU A 29 -3.286 14.540 -7.172 1.00100.00 H new ATOM 0 HD22 LEU A 29 -4.648 15.176 -6.218 1.00100.00 H new ATOM 0 HD23 LEU A 29 -3.706 16.267 -7.261 1.00100.00 H new ATOM 409 N GLN A 30 -3.174 19.528 -3.232 1.00100.00 N ATOM 410 CA GLN A 30 -2.917 20.946 -3.335 1.00100.00 C ATOM 411 C GLN A 30 -2.740 21.623 -2.002 1.00100.00 C ATOM 412 O GLN A 30 -2.058 22.645 -1.928 1.00100.00 O ATOM 413 CB GLN A 30 -4.019 21.706 -4.122 1.00100.00 C ATOM 414 CG GLN A 30 -3.728 23.192 -4.337 1.00100.00 C ATOM 415 CD GLN A 30 -4.917 23.874 -5.003 1.00100.00 C ATOM 416 OE1 GLN A 30 -5.892 24.210 -4.334 1.00100.00 O ATOM 417 NE2 GLN A 30 -4.841 24.083 -6.320 1.00100.00 N ATOM 0 H GLN A 30 -4.132 19.269 -2.998 1.00100.00 H new ATOM 0 HA GLN A 30 -1.977 20.998 -3.884 1.00100.00 H new ATOM 0 HB2 GLN A 30 -4.150 21.229 -5.093 1.00100.00 H new ATOM 0 HB3 GLN A 30 -4.964 21.606 -3.588 1.00100.00 H new ATOM 0 HG2 GLN A 30 -3.515 23.670 -3.381 1.00100.00 H new ATOM 0 HG3 GLN A 30 -2.839 23.309 -4.957 1.00100.00 H new ATOM 0 HE21 GLN A 30 -4.012 23.788 -6.836 1.00100.00 H new ATOM 0 HE22 GLN A 30 -5.612 24.538 -6.809 1.00100.00 H new ATOM 426 N TYR A 31 -3.286 21.041 -0.909 1.00100.00 N ATOM 427 CA TYR A 31 -3.252 21.578 0.435 1.00100.00 C ATOM 428 C TYR A 31 -4.184 22.735 0.663 1.00100.00 C ATOM 429 O TYR A 31 -4.996 22.649 1.585 1.00100.00 O ATOM 430 CB TYR A 31 -1.870 21.993 1.007 1.00100.00 C ATOM 431 CG TYR A 31 -0.882 20.851 1.042 1.00100.00 C ATOM 432 CD1 TYR A 31 -0.885 19.963 2.127 1.00100.00 C ATOM 433 CD2 TYR A 31 0.027 20.674 -0.010 1.00100.00 C ATOM 434 CE1 TYR A 31 0.021 18.895 2.165 1.00100.00 C ATOM 435 CE2 TYR A 31 0.938 19.610 0.018 1.00100.00 C ATOM 436 CZ TYR A 31 0.938 18.715 1.108 1.00100.00 C ATOM 437 OH TYR A 31 1.822 17.677 1.140 1.00100.00 O ATOM 0 H TYR A 31 -3.778 20.149 -0.962 1.00100.00 H new ATOM 0 HA TYR A 31 -3.580 20.692 0.978 1.00100.00 H new ATOM 0 HB2 TYR A 31 -1.461 22.803 0.403 1.00100.00 H new ATOM 0 HB3 TYR A 31 -2.002 22.384 2.016 1.00100.00 H new ATOM 0 HD1 TYR A 31 -1.587 20.103 2.935 1.00100.00 H new ATOM 0 HD2 TYR A 31 0.025 21.360 -0.844 1.00100.00 H new ATOM 0 HE1 TYR A 31 0.017 18.211 3.001 1.00100.00 H new ATOM 0 HE2 TYR A 31 1.638 19.475 -0.793 1.00100.00 H new ATOM 0 HH TYR A 31 2.380 17.698 0.335 1.00100.00 H new ATOM 447 N ARG A 32 -4.104 23.825 -0.153 1.00100.00 N ATOM 448 CA ARG A 32 -4.951 24.989 0.016 1.00100.00 C ATOM 449 C ARG A 32 -6.389 24.610 -0.219 1.00100.00 C ATOM 450 O ARG A 32 -7.181 24.642 0.722 1.00100.00 O ATOM 451 CB ARG A 32 -4.630 26.090 -1.018 1.00100.00 C ATOM 452 CG ARG A 32 -3.235 26.677 -0.830 1.00100.00 C ATOM 453 CD ARG A 32 -3.030 27.746 -1.902 1.00100.00 C ATOM 454 NE ARG A 32 -1.689 28.327 -1.826 1.00100.00 N ATOM 455 CZ ARG A 32 -1.164 29.094 -2.793 1.00100.00 C ATOM 456 NH1 ARG A 32 -1.873 29.378 -3.896 1.00100.00 N ATOM 457 NH2 ARG A 32 0.076 29.581 -2.658 1.00100.00 N ATOM 0 H ARG A 32 -3.450 23.898 -0.932 1.00100.00 H new ATOM 0 HA ARG A 32 -4.776 25.356 1.027 1.00100.00 H new ATOM 0 HB2 ARG A 32 -4.714 25.676 -2.023 1.00100.00 H new ATOM 0 HB3 ARG A 32 -5.370 26.886 -0.938 1.00100.00 H new ATOM 0 HG2 ARG A 32 -3.134 27.110 0.165 1.00100.00 H new ATOM 0 HG3 ARG A 32 -2.478 25.898 -0.918 1.00100.00 H new ATOM 0 HD2 ARG A 32 -3.183 27.308 -2.888 1.00100.00 H new ATOM 0 HD3 ARG A 32 -3.776 28.532 -1.782 1.00100.00 H new ATOM 0 HE ARG A 32 -1.126 28.139 -0.997 1.00100.00 H new ATOM 0 HH11 ARG A 32 -2.818 29.010 -4.004 1.00100.00 H new ATOM 0 HH12 ARG A 32 -1.467 29.962 -4.627 1.00100.00 H new ATOM 0 HH21 ARG A 32 0.619 29.368 -1.821 1.00100.00 H new ATOM 0 HH22 ARG A 32 0.477 30.165 -3.392 1.00100.00 H new ATOM 471 N ASN A 33 -6.738 24.197 -1.467 1.00100.00 N ATOM 472 CA ASN A 33 -8.055 23.753 -1.868 1.00100.00 C ATOM 473 C ASN A 33 -9.203 24.636 -1.450 1.00100.00 C ATOM 474 O ASN A 33 -10.230 24.157 -0.964 1.00100.00 O ATOM 475 CB ASN A 33 -8.285 22.259 -1.557 1.00100.00 C ATOM 476 CG ASN A 33 -7.285 21.467 -2.384 1.00100.00 C ATOM 477 OD1 ASN A 33 -7.331 21.515 -3.611 1.00100.00 O ATOM 478 ND2 ASN A 33 -6.354 20.777 -1.723 1.00100.00 N ATOM 0 H ASN A 33 -6.066 24.172 -2.234 1.00100.00 H new ATOM 0 HA ASN A 33 -8.055 23.861 -2.953 1.00100.00 H new ATOM 0 HB2 ASN A 33 -8.146 22.062 -0.494 1.00100.00 H new ATOM 0 HB3 ASN A 33 -9.306 21.967 -1.805 1.00100.00 H new ATOM 0 HD21 ASN A 33 -5.641 20.260 -2.238 1.00100.00 H new ATOM 0 HD22 ASN A 33 -6.355 20.766 -0.703 1.00100.00 H new ATOM 485 N GLY A 34 -9.042 25.967 -1.633 1.00100.00 N ATOM 486 CA GLY A 34 -10.065 26.912 -1.256 1.00100.00 C ATOM 487 C GLY A 34 -10.104 27.122 0.229 1.00100.00 C ATOM 488 O GLY A 34 -11.110 27.585 0.764 1.00100.00 O ATOM 0 H GLY A 34 -8.208 26.389 -2.040 1.00100.00 H new ATOM 0 HA2 GLY A 34 -9.882 27.864 -1.754 1.00100.00 H new ATOM 0 HA3 GLY A 34 -11.036 26.554 -1.599 1.00100.00 H new ATOM 492 N PHE A 35 -8.983 26.777 0.911 1.00100.00 N ATOM 493 CA PHE A 35 -8.772 26.865 2.331 1.00100.00 C ATOM 494 C PHE A 35 -9.822 26.123 3.116 1.00100.00 C ATOM 495 O PHE A 35 -10.333 26.572 4.142 1.00100.00 O ATOM 496 CB PHE A 35 -8.524 28.308 2.808 1.00100.00 C ATOM 497 CG PHE A 35 -7.317 28.900 2.118 1.00100.00 C ATOM 498 CD1 PHE A 35 -6.028 28.563 2.554 1.00100.00 C ATOM 499 CD2 PHE A 35 -7.483 29.725 0.997 1.00100.00 C ATOM 500 CE1 PHE A 35 -4.906 29.054 1.872 1.00100.00 C ATOM 501 CE2 PHE A 35 -6.362 30.218 0.317 1.00100.00 C ATOM 502 CZ PHE A 35 -5.074 29.882 0.753 1.00100.00 C ATOM 0 H PHE A 35 -8.164 26.409 0.428 1.00100.00 H new ATOM 0 HA PHE A 35 -7.840 26.342 2.545 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.402 28.920 2.603 1.00100.00 H new ATOM 0 HB3 PHE A 35 -8.373 28.318 3.887 1.00100.00 H new ATOM 0 HD1 PHE A 35 -5.899 27.925 3.416 1.00100.00 H new ATOM 0 HD2 PHE A 35 -8.476 29.981 0.657 1.00100.00 H new ATOM 0 HE1 PHE A 35 -3.913 28.795 2.208 1.00100.00 H new ATOM 0 HE2 PHE A 35 -6.491 30.857 -0.544 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.210 30.261 0.227 1.00100.00 H new ATOM 512 N TYR A 36 -10.133 24.917 2.589 1.00100.00 N ATOM 513 CA TYR A 36 -11.059 23.930 3.083 1.00100.00 C ATOM 514 C TYR A 36 -10.569 23.506 4.451 1.00100.00 C ATOM 515 O TYR A 36 -11.348 23.454 5.404 1.00100.00 O ATOM 516 CB TYR A 36 -10.969 22.742 2.083 1.00100.00 C ATOM 517 CG TYR A 36 -11.831 21.542 2.392 1.00100.00 C ATOM 518 CD1 TYR A 36 -11.395 20.580 3.313 1.00100.00 C ATOM 519 CD2 TYR A 36 -13.032 21.355 1.697 1.00100.00 C ATOM 520 CE1 TYR A 36 -12.165 19.435 3.551 1.00100.00 C ATOM 521 CE2 TYR A 36 -13.820 20.223 1.939 1.00100.00 C ATOM 522 CZ TYR A 36 -13.385 19.253 2.867 1.00100.00 C ATOM 523 OH TYR A 36 -14.138 18.137 3.093 1.00100.00 O ATOM 0 H TYR A 36 -9.688 24.602 1.727 1.00100.00 H new ATOM 0 HA TYR A 36 -12.085 24.289 3.165 1.00100.00 H new ATOM 0 HB2 TYR A 36 -11.235 23.108 1.091 1.00100.00 H new ATOM 0 HB3 TYR A 36 -9.931 22.414 2.034 1.00100.00 H new ATOM 0 HD1 TYR A 36 -10.463 20.722 3.840 1.00100.00 H new ATOM 0 HD2 TYR A 36 -13.352 22.087 0.971 1.00100.00 H new ATOM 0 HE1 TYR A 36 -11.825 18.692 4.257 1.00100.00 H new ATOM 0 HE2 TYR A 36 -14.757 20.093 1.418 1.00100.00 H new ATOM 0 HH TYR A 36 -14.947 18.171 2.541 1.00100.00 H new ATOM 533 N LEU A 37 -9.243 23.237 4.570 1.00100.00 N ATOM 534 CA LEU A 37 -8.636 22.844 5.811 1.00100.00 C ATOM 535 C LEU A 37 -8.041 24.096 6.368 1.00100.00 C ATOM 536 O LEU A 37 -7.134 24.693 5.782 1.00100.00 O ATOM 537 CB LEU A 37 -7.460 21.848 5.686 1.00100.00 C ATOM 538 CG LEU A 37 -7.883 20.521 5.052 1.00100.00 C ATOM 539 CD1 LEU A 37 -6.652 19.626 4.926 1.00100.00 C ATOM 540 CD2 LEU A 37 -8.928 19.812 5.914 1.00100.00 C ATOM 0 H LEU A 37 -8.587 23.295 3.791 1.00100.00 H new ATOM 0 HA LEU A 37 -9.405 22.355 6.409 1.00100.00 H new ATOM 0 HB2 LEU A 37 -6.669 22.298 5.086 1.00100.00 H new ATOM 0 HB3 LEU A 37 -7.042 21.658 6.675 1.00100.00 H new ATOM 0 HG LEU A 37 -8.319 20.721 4.073 1.00100.00 H new ATOM 0 HD11 LEU A 37 -6.938 18.676 4.475 1.00100.00 H new ATOM 0 HD12 LEU A 37 -5.908 20.116 4.298 1.00100.00 H new ATOM 0 HD13 LEU A 37 -6.230 19.446 5.915 1.00100.00 H new ATOM 0 HD21 LEU A 37 -9.212 18.872 5.442 1.00100.00 H new ATOM 0 HD22 LEU A 37 -8.510 19.611 6.900 1.00100.00 H new ATOM 0 HD23 LEU A 37 -9.808 20.447 6.015 1.00100.00 H new ATOM 552 N LEU A 38 -8.569 24.497 7.539 1.00100.00 N ATOM 553 CA LEU A 38 -8.176 25.670 8.280 1.00100.00 C ATOM 554 C LEU A 38 -6.760 25.592 8.780 1.00100.00 C ATOM 555 O LEU A 38 -6.035 26.587 8.779 1.00100.00 O ATOM 556 CB LEU A 38 -9.069 25.950 9.503 1.00100.00 C ATOM 557 CG LEU A 38 -10.507 26.261 9.078 1.00100.00 C ATOM 558 CD1 LEU A 38 -11.356 26.474 10.329 1.00100.00 C ATOM 559 CD2 LEU A 38 -10.572 27.524 8.216 1.00100.00 C ATOM 0 H LEU A 38 -9.314 23.976 8.000 1.00100.00 H new ATOM 0 HA LEU A 38 -8.281 26.478 7.556 1.00100.00 H new ATOM 0 HB2 LEU A 38 -9.062 25.086 10.167 1.00100.00 H new ATOM 0 HB3 LEU A 38 -8.664 26.790 10.068 1.00100.00 H new ATOM 0 HG LEU A 38 -10.882 25.423 8.491 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.383 26.696 10.038 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.339 25.570 10.938 1.00100.00 H new ATOM 0 HD13 LEU A 38 -10.953 27.307 10.904 1.00100.00 H new ATOM 0 HD21 LEU A 38 -11.606 27.717 7.931 1.00100.00 H new ATOM 0 HD22 LEU A 38 -10.188 28.372 8.783 1.00100.00 H new ATOM 0 HD23 LEU A 38 -9.969 27.384 7.319 1.00100.00 H new ATOM 571 N LYS A 39 -6.343 24.366 9.174 1.00100.00 N ATOM 572 CA LYS A 39 -5.055 24.052 9.740 1.00100.00 C ATOM 573 C LYS A 39 -3.882 24.398 8.871 1.00100.00 C ATOM 574 O LYS A 39 -2.804 24.657 9.409 1.00100.00 O ATOM 575 CB LYS A 39 -4.909 22.557 10.072 1.00100.00 C ATOM 576 CG LYS A 39 -5.999 22.125 11.052 1.00100.00 C ATOM 577 CD LYS A 39 -5.827 20.649 11.401 1.00100.00 C ATOM 578 CE LYS A 39 -6.910 20.239 12.397 1.00100.00 C ATOM 579 NZ LYS A 39 -6.766 18.827 12.781 1.00100.00 N ATOM 0 H LYS A 39 -6.942 23.544 9.092 1.00100.00 H new ATOM 0 HA LYS A 39 -5.035 24.672 10.636 1.00100.00 H new ATOM 0 HB2 LYS A 39 -4.976 21.966 9.159 1.00100.00 H new ATOM 0 HB3 LYS A 39 -3.926 22.367 10.503 1.00100.00 H new ATOM 0 HG2 LYS A 39 -5.947 22.730 11.957 1.00100.00 H new ATOM 0 HG3 LYS A 39 -6.982 22.292 10.613 1.00100.00 H new ATOM 0 HD2 LYS A 39 -5.895 20.040 10.500 1.00100.00 H new ATOM 0 HD3 LYS A 39 -4.839 20.477 11.828 1.00100.00 H new ATOM 0 HE2 LYS A 39 -6.850 20.869 13.285 1.00100.00 H new ATOM 0 HE3 LYS A 39 -7.894 20.401 11.957 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -7.514 18.573 13.458 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -6.847 18.227 11.935 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -5.835 18.680 13.222 1.00100.00 H new ATOM 593 N TYR A 40 -4.055 24.419 7.530 1.00100.00 N ATOM 594 CA TYR A 40 -3.003 24.737 6.600 1.00100.00 C ATOM 595 C TYR A 40 -2.448 26.130 6.806 1.00100.00 C ATOM 596 O TYR A 40 -1.227 26.306 6.774 1.00100.00 O ATOM 597 CB TYR A 40 -3.501 24.558 5.131 1.00100.00 C ATOM 598 CG TYR A 40 -2.500 25.000 4.091 1.00100.00 C ATOM 599 CD1 TYR A 40 -1.383 24.203 3.809 1.00100.00 C ATOM 600 CD2 TYR A 40 -2.691 26.213 3.414 1.00100.00 C ATOM 601 CE1 TYR A 40 -0.456 24.611 2.842 1.00100.00 C ATOM 602 CE2 TYR A 40 -1.766 26.631 2.449 1.00100.00 C ATOM 603 CZ TYR A 40 -0.645 25.829 2.156 1.00100.00 C ATOM 604 OH TYR A 40 0.254 26.230 1.213 1.00100.00 O ATOM 0 H TYR A 40 -4.947 24.210 7.081 1.00100.00 H new ATOM 0 HA TYR A 40 -2.188 24.039 6.790 1.00100.00 H new ATOM 0 HB2 TYR A 40 -3.744 23.509 4.965 1.00100.00 H new ATOM 0 HB3 TYR A 40 -4.423 25.124 4.998 1.00100.00 H new ATOM 0 HD1 TYR A 40 -1.237 23.273 4.338 1.00100.00 H new ATOM 0 HD2 TYR A 40 -3.552 26.825 3.637 1.00100.00 H new ATOM 0 HE1 TYR A 40 0.403 23.994 2.622 1.00100.00 H new ATOM 0 HE2 TYR A 40 -1.912 27.567 1.930 1.00100.00 H new ATOM 0 HH TYR A 40 -0.028 27.090 0.837 1.00100.00 H new ATOM 614 N ASP A 41 -3.322 27.134 7.043 1.00100.00 N ATOM 615 CA ASP A 41 -2.888 28.496 7.206 1.00100.00 C ATOM 616 C ASP A 41 -2.202 28.682 8.542 1.00100.00 C ATOM 617 O ASP A 41 -2.671 28.207 9.578 1.00100.00 O ATOM 618 CB ASP A 41 -4.077 29.465 7.019 1.00100.00 C ATOM 619 CG ASP A 41 -3.627 30.905 6.823 1.00100.00 C ATOM 620 OD1 ASP A 41 -3.163 31.499 7.819 1.00100.00 O ATOM 621 OD2 ASP A 41 -3.768 31.392 5.680 1.00100.00 O ATOM 0 H ASP A 41 -4.330 27.002 7.122 1.00100.00 H new ATOM 0 HA ASP A 41 -2.154 28.730 6.435 1.00100.00 H new ATOM 0 HB2 ASP A 41 -4.666 29.151 6.157 1.00100.00 H new ATOM 0 HB3 ASP A 41 -4.730 29.407 7.890 1.00100.00 H new ATOM 626 N GLU A 42 -1.043 29.384 8.521 1.00100.00 N ATOM 627 CA GLU A 42 -0.233 29.666 9.687 1.00100.00 C ATOM 628 C GLU A 42 -0.954 30.517 10.693 1.00100.00 C ATOM 629 O GLU A 42 -0.853 30.285 11.898 1.00100.00 O ATOM 630 CB GLU A 42 1.107 30.343 9.352 1.00100.00 C ATOM 631 CG GLU A 42 1.926 29.457 8.415 1.00100.00 C ATOM 632 CD GLU A 42 3.264 30.106 8.093 1.00100.00 C ATOM 633 OE1 GLU A 42 3.244 31.099 7.333 1.00100.00 O ATOM 634 OE2 GLU A 42 4.282 29.600 8.612 1.00100.00 O ATOM 0 H GLU A 42 -0.653 29.771 7.661 1.00100.00 H new ATOM 0 HA GLU A 42 -0.029 28.684 10.115 1.00100.00 H new ATOM 0 HB2 GLU A 42 0.927 31.311 8.884 1.00100.00 H new ATOM 0 HB3 GLU A 42 1.667 30.531 10.268 1.00100.00 H new ATOM 0 HG2 GLU A 42 2.090 28.484 8.878 1.00100.00 H new ATOM 0 HG3 GLU A 42 1.370 29.282 7.494 1.00100.00 H new ATOM 641 N GLU A 43 -1.721 31.510 10.195 1.00100.00 N ATOM 642 CA GLU A 43 -2.492 32.437 10.986 1.00100.00 C ATOM 643 C GLU A 43 -3.803 31.835 11.436 1.00100.00 C ATOM 644 O GLU A 43 -4.538 32.483 12.185 1.00100.00 O ATOM 645 CB GLU A 43 -2.842 33.722 10.198 1.00100.00 C ATOM 646 CG GLU A 43 -1.574 34.442 9.737 1.00100.00 C ATOM 647 CD GLU A 43 -0.708 34.862 10.919 1.00100.00 C ATOM 648 OE1 GLU A 43 -1.291 35.364 11.905 1.00100.00 O ATOM 649 OE2 GLU A 43 0.523 34.675 10.814 1.00100.00 O ATOM 0 H GLU A 43 -1.810 31.677 9.193 1.00100.00 H new ATOM 0 HA GLU A 43 -1.862 32.675 11.843 1.00100.00 H new ATOM 0 HB2 GLU A 43 -3.455 33.468 9.334 1.00100.00 H new ATOM 0 HB3 GLU A 43 -3.435 34.388 10.825 1.00100.00 H new ATOM 0 HG2 GLU A 43 -1.001 33.788 9.080 1.00100.00 H new ATOM 0 HG3 GLU A 43 -1.846 35.321 9.153 1.00100.00 H new ATOM 656 N TRP A 44 -4.111 30.576 11.008 1.00100.00 N ATOM 657 CA TRP A 44 -5.299 29.801 11.285 1.00100.00 C ATOM 658 C TRP A 44 -6.462 30.305 10.477 1.00100.00 C ATOM 659 O TRP A 44 -7.139 29.487 9.854 1.00100.00 O ATOM 660 CB TRP A 44 -5.719 29.692 12.780 1.00100.00 C ATOM 661 CG TRP A 44 -6.825 28.717 13.019 1.00100.00 C ATOM 662 CD1 TRP A 44 -8.142 29.015 13.064 1.00100.00 C ATOM 663 CD2 TRP A 44 -6.735 27.275 13.213 1.00100.00 C ATOM 664 NE1 TRP A 44 -8.869 27.862 13.280 1.00100.00 N ATOM 665 CE2 TRP A 44 -8.047 26.757 13.378 1.00100.00 C ATOM 666 CE3 TRP A 44 -5.673 26.353 13.259 1.00100.00 C ATOM 667 CZ2 TRP A 44 -8.297 25.396 13.584 1.00100.00 C ATOM 668 CZ3 TRP A 44 -5.911 24.986 13.466 1.00100.00 C ATOM 669 CH2 TRP A 44 -7.218 24.506 13.629 1.00100.00 C ATOM 0 H TRP A 44 -3.463 30.059 10.413 1.00100.00 H new ATOM 0 HA TRP A 44 -5.019 28.789 10.993 1.00100.00 H new ATOM 0 HB2 TRP A 44 -4.852 29.398 13.372 1.00100.00 H new ATOM 0 HB3 TRP A 44 -6.029 30.675 13.135 1.00100.00 H new ATOM 0 HD1 TRP A 44 -8.561 30.004 12.949 1.00100.00 H new ATOM 0 HE1 TRP A 44 -9.886 27.830 13.357 1.00100.00 H new ATOM 0 HE3 TRP A 44 -4.659 26.703 13.133 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -9.308 25.037 13.707 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -5.080 24.297 13.500 1.00100.00 H new ATOM 0 HH2 TRP A 44 -7.392 23.452 13.789 1.00100.00 H new ATOM 680 N TYR A 45 -6.730 31.635 10.477 1.00100.00 N ATOM 681 CA TYR A 45 -7.821 32.198 9.730 1.00100.00 C ATOM 682 C TYR A 45 -7.273 32.616 8.378 1.00100.00 C ATOM 683 O TYR A 45 -6.451 33.534 8.300 1.00100.00 O ATOM 684 CB TYR A 45 -8.452 33.421 10.448 1.00100.00 C ATOM 685 CG TYR A 45 -9.688 33.906 9.730 1.00100.00 C ATOM 686 CD1 TYR A 45 -10.918 33.280 9.978 1.00100.00 C ATOM 687 CD2 TYR A 45 -9.602 34.943 8.791 1.00100.00 C ATOM 688 CE1 TYR A 45 -12.068 33.696 9.296 1.00100.00 C ATOM 689 CE2 TYR A 45 -10.747 35.359 8.097 1.00100.00 C ATOM 690 CZ TYR A 45 -11.986 34.735 8.347 1.00100.00 C ATOM 691 OH TYR A 45 -13.105 35.132 7.675 1.00100.00 O ATOM 0 H TYR A 45 -6.185 32.321 10.999 1.00100.00 H new ATOM 0 HA TYR A 45 -8.611 31.454 9.629 1.00100.00 H new ATOM 0 HB2 TYR A 45 -8.707 33.151 11.473 1.00100.00 H new ATOM 0 HB3 TYR A 45 -7.722 34.228 10.504 1.00100.00 H new ATOM 0 HD1 TYR A 45 -10.978 32.476 10.696 1.00100.00 H new ATOM 0 HD2 TYR A 45 -8.653 35.422 8.602 1.00100.00 H new ATOM 0 HE1 TYR A 45 -13.017 33.221 9.497 1.00100.00 H new ATOM 0 HE2 TYR A 45 -10.680 36.156 7.372 1.00100.00 H new ATOM 0 HH TYR A 45 -12.876 35.859 7.059 1.00100.00 H new ATOM 701 N PRO A 46 -7.704 31.923 7.286 1.00100.00 N ATOM 702 CA PRO A 46 -7.301 32.190 5.922 1.00100.00 C ATOM 703 C PRO A 46 -8.097 33.308 5.297 1.00100.00 C ATOM 704 O PRO A 46 -9.061 33.776 5.907 1.00100.00 O ATOM 705 CB PRO A 46 -7.526 30.870 5.201 1.00100.00 C ATOM 706 CG PRO A 46 -8.805 30.372 5.868 1.00100.00 C ATOM 707 CD PRO A 46 -8.596 30.777 7.323 1.00100.00 C ATOM 0 HA PRO A 46 -6.266 32.527 5.863 1.00100.00 H new ATOM 0 HB2 PRO A 46 -7.650 31.006 4.127 1.00100.00 H new ATOM 0 HB3 PRO A 46 -6.695 30.179 5.341 1.00100.00 H new ATOM 0 HG2 PRO A 46 -9.693 30.837 5.441 1.00100.00 H new ATOM 0 HG3 PRO A 46 -8.926 29.294 5.760 1.00100.00 H new ATOM 0 HD2 PRO A 46 -9.543 31.033 7.798 1.00100.00 H new ATOM 0 HD3 PRO A 46 -8.161 29.960 7.899 1.00100.00 H new ATOM 715 N GLU A 47 -7.695 33.753 4.078 1.00100.00 N ATOM 716 CA GLU A 47 -8.384 34.784 3.339 1.00100.00 C ATOM 717 C GLU A 47 -9.779 34.310 3.002 1.00100.00 C ATOM 718 O GLU A 47 -10.743 35.056 3.185 1.00100.00 O ATOM 719 CB GLU A 47 -7.733 35.101 1.978 1.00100.00 C ATOM 720 CG GLU A 47 -6.303 35.597 2.179 1.00100.00 C ATOM 721 CD GLU A 47 -5.645 35.896 0.839 1.00100.00 C ATOM 722 OE1 GLU A 47 -5.265 34.916 0.164 1.00100.00 O ATOM 723 OE2 GLU A 47 -5.538 37.098 0.513 1.00100.00 O ATOM 0 H GLU A 47 -6.873 33.387 3.597 1.00100.00 H new ATOM 0 HA GLU A 47 -8.359 35.667 3.977 1.00100.00 H new ATOM 0 HB2 GLU A 47 -7.731 34.209 1.351 1.00100.00 H new ATOM 0 HB3 GLU A 47 -8.318 35.858 1.455 1.00100.00 H new ATOM 0 HG2 GLU A 47 -6.308 36.495 2.796 1.00100.00 H new ATOM 0 HG3 GLU A 47 -5.724 34.845 2.715 1.00100.00 H new ATOM 730 N GLU A 48 -9.902 33.037 2.540 1.00100.00 N ATOM 731 CA GLU A 48 -11.168 32.474 2.173 1.00100.00 C ATOM 732 C GLU A 48 -11.527 31.451 3.208 1.00100.00 C ATOM 733 O GLU A 48 -10.950 30.364 3.271 1.00100.00 O ATOM 734 CB GLU A 48 -11.101 31.787 0.782 1.00100.00 C ATOM 735 CG GLU A 48 -12.476 31.285 0.346 1.00100.00 C ATOM 736 CD GLU A 48 -13.443 32.447 0.162 1.00100.00 C ATOM 737 OE1 GLU A 48 -13.297 33.148 -0.863 1.00100.00 O ATOM 738 OE2 GLU A 48 -14.304 32.617 1.052 1.00100.00 O ATOM 0 H GLU A 48 -9.114 32.400 2.423 1.00100.00 H new ATOM 0 HA GLU A 48 -11.913 33.268 2.118 1.00100.00 H new ATOM 0 HB2 GLU A 48 -10.717 32.491 0.044 1.00100.00 H new ATOM 0 HB3 GLU A 48 -10.401 30.952 0.819 1.00100.00 H new ATOM 0 HG2 GLU A 48 -12.386 30.730 -0.588 1.00100.00 H new ATOM 0 HG3 GLU A 48 -12.869 30.594 1.092 1.00100.00 H new ATOM 745 N LEU A 49 -12.473 31.831 4.088 1.00100.00 N ATOM 746 CA LEU A 49 -12.979 30.986 5.136 1.00100.00 C ATOM 747 C LEU A 49 -13.828 29.870 4.582 1.00100.00 C ATOM 748 O LEU A 49 -13.740 28.726 5.028 1.00100.00 O ATOM 749 CB LEU A 49 -13.813 31.797 6.155 1.00100.00 C ATOM 750 CG LEU A 49 -14.339 30.921 7.295 1.00100.00 C ATOM 751 CD1 LEU A 49 -13.186 30.376 8.137 1.00100.00 C ATOM 752 CD2 LEU A 49 -15.273 31.756 8.169 1.00100.00 C ATOM 0 H LEU A 49 -12.902 32.756 4.072 1.00100.00 H new ATOM 0 HA LEU A 49 -12.113 30.557 5.640 1.00100.00 H new ATOM 0 HB2 LEU A 49 -13.201 32.599 6.567 1.00100.00 H new ATOM 0 HB3 LEU A 49 -14.652 32.268 5.643 1.00100.00 H new ATOM 0 HG LEU A 49 -14.880 30.074 6.874 1.00100.00 H new ATOM 0 HD11 LEU A 49 -13.584 29.757 8.941 1.00100.00 H new ATOM 0 HD12 LEU A 49 -12.528 29.776 7.508 1.00100.00 H new ATOM 0 HD13 LEU A 49 -12.623 31.206 8.563 1.00100.00 H new ATOM 0 HD21 LEU A 49 -15.654 31.142 8.985 1.00100.00 H new ATOM 0 HD22 LEU A 49 -14.726 32.605 8.579 1.00100.00 H new ATOM 0 HD23 LEU A 49 -16.107 32.118 7.568 1.00100.00 H new ATOM 764 N LEU A 50 -14.656 30.210 3.569 1.00100.00 N ATOM 765 CA LEU A 50 -15.579 29.308 2.941 1.00100.00 C ATOM 766 C LEU A 50 -14.968 28.159 2.216 1.00100.00 C ATOM 767 O LEU A 50 -13.879 28.248 1.648 1.00100.00 O ATOM 768 CB LEU A 50 -16.522 29.998 1.935 1.00100.00 C ATOM 769 CG LEU A 50 -17.246 31.187 2.571 1.00100.00 C ATOM 770 CD1 LEU A 50 -18.137 31.844 1.518 1.00100.00 C ATOM 771 CD2 LEU A 50 -18.106 30.738 3.752 1.00100.00 C ATOM 0 H LEU A 50 -14.682 31.150 3.173 1.00100.00 H new ATOM 0 HA LEU A 50 -16.124 28.932 3.807 1.00100.00 H new ATOM 0 HB2 LEU A 50 -15.949 30.338 1.072 1.00100.00 H new ATOM 0 HB3 LEU A 50 -17.254 29.279 1.568 1.00100.00 H new ATOM 0 HG LEU A 50 -16.503 31.895 2.938 1.00100.00 H new ATOM 0 HD11 LEU A 50 -18.658 32.693 1.961 1.00100.00 H new ATOM 0 HD12 LEU A 50 -17.523 32.189 0.686 1.00100.00 H new ATOM 0 HD13 LEU A 50 -18.866 31.120 1.155 1.00100.00 H new ATOM 0 HD21 LEU A 50 -18.609 31.602 4.185 1.00100.00 H new ATOM 0 HD22 LEU A 50 -18.850 30.020 3.408 1.00100.00 H new ATOM 0 HD23 LEU A 50 -17.473 30.271 4.506 1.00100.00 H new HETATM 783 N TPO A 51 -15.702 27.027 2.268 1.00100.00 N HETATM 784 CA TPO A 51 -15.361 25.789 1.620 1.00100.00 C HETATM 785 CB TPO A 51 -16.296 24.678 2.057 1.00100.00 C HETATM 786 CG2 TPO A 51 -15.969 23.373 1.338 1.00100.00 C HETATM 787 OG1 TPO A 51 -16.158 24.476 3.446 1.00100.00 O HETATM 788 P TPO A 51 -16.504 25.846 4.193 1.00100.00 P HETATM 789 O1P TPO A 51 -16.373 25.669 5.582 1.00 0.00 O HETATM 790 O2P TPO A 51 -15.619 26.850 3.764 1.00 0.00 O HETATM 791 O3P TPO A 51 -17.825 26.224 3.891 1.00 0.00 O HETATM 792 C TPO A 51 -15.531 26.040 0.142 1.00100.00 C HETATM 793 O TPO A 51 -16.530 26.626 -0.288 1.00100.00 O HETATM 0 HG23 TPO A 51 -16.073 23.514 0.262 1.00100.00 H new HETATM 0 HG22 TPO A 51 -14.945 23.078 1.567 1.00100.00 H new HETATM 0 HG21 TPO A 51 -16.654 22.593 1.670 1.00100.00 H new HETATM 0 HB TPO A 51 -17.316 24.970 1.809 1.00100.00 H new HETATM 0 HA TPO A 51 -14.347 25.480 1.873 1.00100.00 H new ATOM 800 N ASP A 52 -14.536 25.595 -0.659 1.00100.00 N ATOM 801 CA ASP A 52 -14.559 25.774 -2.089 1.00100.00 C ATOM 802 C ASP A 52 -15.617 24.877 -2.671 1.00100.00 C ATOM 803 O ASP A 52 -15.742 23.708 -2.299 1.00100.00 O ATOM 804 CB ASP A 52 -13.203 25.447 -2.768 1.00100.00 C ATOM 805 CG ASP A 52 -13.157 25.896 -4.225 1.00100.00 C ATOM 806 OD1 ASP A 52 -13.899 25.303 -5.038 1.00100.00 O ATOM 807 OD2 ASP A 52 -12.370 26.827 -4.500 1.00100.00 O ATOM 0 H ASP A 52 -13.709 25.107 -0.314 1.00100.00 H new ATOM 0 HA ASP A 52 -14.770 26.826 -2.278 1.00100.00 H new ATOM 0 HB2 ASP A 52 -12.398 25.932 -2.216 1.00100.00 H new ATOM 0 HB3 ASP A 52 -13.024 24.373 -2.716 1.00100.00 H new ATOM 812 N GLY A 53 -16.416 25.464 -3.584 1.00100.00 N ATOM 813 CA GLY A 53 -17.480 24.791 -4.272 1.00100.00 C ATOM 814 C GLY A 53 -16.963 24.556 -5.649 1.00100.00 C ATOM 815 O GLY A 53 -16.242 23.583 -5.879 1.00100.00 O ATOM 0 H GLY A 53 -16.318 26.443 -3.853 1.00100.00 H new ATOM 0 HA2 GLY A 53 -17.735 23.852 -3.781 1.00100.00 H new ATOM 0 HA3 GLY A 53 -18.385 25.398 -4.289 1.00100.00 H new ATOM 819 N GLU A 54 -17.357 25.434 -6.602 1.00100.00 N ATOM 820 CA GLU A 54 -16.891 25.311 -7.955 1.00100.00 C ATOM 821 C GLU A 54 -16.129 26.562 -8.269 1.00100.00 C ATOM 822 O GLU A 54 -16.715 27.622 -8.505 1.00100.00 O ATOM 823 CB GLU A 54 -18.016 25.101 -8.997 1.00100.00 C ATOM 824 CG GLU A 54 -18.733 23.781 -8.720 1.00100.00 C ATOM 825 CD GLU A 54 -19.826 23.530 -9.750 1.00100.00 C ATOM 826 OE1 GLU A 54 -19.477 23.009 -10.832 1.00100.00 O ATOM 827 OE2 GLU A 54 -20.988 23.866 -9.437 1.00100.00 O ATOM 0 H GLU A 54 -17.989 26.217 -6.437 1.00100.00 H new ATOM 0 HA GLU A 54 -16.272 24.416 -8.022 1.00100.00 H new ATOM 0 HB2 GLU A 54 -18.725 25.928 -8.953 1.00100.00 H new ATOM 0 HB3 GLU A 54 -17.597 25.094 -10.003 1.00100.00 H new ATOM 0 HG2 GLU A 54 -18.015 22.961 -8.739 1.00100.00 H new ATOM 0 HG3 GLU A 54 -19.167 23.801 -7.720 1.00100.00 H new ATOM 834 N ASP A 55 -14.778 26.436 -8.247 1.00100.00 N ATOM 835 CA ASP A 55 -13.801 27.471 -8.524 1.00100.00 C ATOM 836 C ASP A 55 -14.024 28.718 -7.693 1.00100.00 C ATOM 837 O ASP A 55 -13.851 29.843 -8.174 1.00100.00 O ATOM 838 CB ASP A 55 -13.726 27.858 -10.035 1.00100.00 C ATOM 839 CG ASP A 55 -13.360 26.644 -10.878 1.00100.00 C ATOM 840 OD1 ASP A 55 -12.252 26.111 -10.652 1.00100.00 O ATOM 841 OD2 ASP A 55 -14.195 26.268 -11.730 1.00100.00 O ATOM 0 H ASP A 55 -14.334 25.546 -8.019 1.00100.00 H new ATOM 0 HA ASP A 55 -12.845 27.029 -8.242 1.00100.00 H new ATOM 0 HB2 ASP A 55 -14.685 28.259 -10.362 1.00100.00 H new ATOM 0 HB3 ASP A 55 -12.985 28.645 -10.179 1.00100.00 H new ATOM 846 N ASP A 56 -14.418 28.537 -6.408 1.00100.00 N ATOM 847 CA ASP A 56 -14.676 29.643 -5.515 1.00100.00 C ATOM 848 C ASP A 56 -13.440 30.434 -5.210 1.00100.00 C ATOM 849 O ASP A 56 -13.481 31.666 -5.207 1.00100.00 O ATOM 850 CB ASP A 56 -15.327 29.233 -4.174 1.00100.00 C ATOM 851 CG ASP A 56 -16.737 28.681 -4.358 1.00100.00 C ATOM 852 OD1 ASP A 56 -17.240 28.741 -5.502 1.00100.00 O ATOM 853 OD2 ASP A 56 -17.293 28.214 -3.341 1.00100.00 O ATOM 0 H ASP A 56 -14.559 27.620 -5.985 1.00100.00 H new ATOM 0 HA ASP A 56 -15.387 30.257 -6.068 1.00100.00 H new ATOM 0 HB2 ASP A 56 -14.706 28.481 -3.686 1.00100.00 H new ATOM 0 HB3 ASP A 56 -15.362 30.097 -3.511 1.00100.00 H new ATOM 858 N VAL A 57 -12.309 29.727 -4.976 1.00100.00 N ATOM 859 CA VAL A 57 -11.056 30.348 -4.653 1.00100.00 C ATOM 860 C VAL A 57 -10.463 31.012 -5.867 1.00100.00 C ATOM 861 O VAL A 57 -10.712 30.609 -7.005 1.00100.00 O ATOM 862 CB VAL A 57 -10.085 29.398 -3.956 1.00100.00 C ATOM 863 CG1 VAL A 57 -9.492 28.393 -4.946 1.00100.00 C ATOM 864 CG2 VAL A 57 -8.970 30.155 -3.236 1.00100.00 C ATOM 0 H VAL A 57 -12.267 28.709 -5.012 1.00100.00 H new ATOM 0 HA VAL A 57 -11.256 31.130 -3.920 1.00100.00 H new ATOM 0 HB VAL A 57 -10.656 28.851 -3.206 1.00100.00 H new ATOM 0 HG11 VAL A 57 -8.804 27.729 -4.422 1.00100.00 H new ATOM 0 HG12 VAL A 57 -10.294 27.806 -5.393 1.00100.00 H new ATOM 0 HG13 VAL A 57 -8.955 28.928 -5.729 1.00100.00 H new ATOM 0 HG21 VAL A 57 -8.300 29.444 -2.753 1.00100.00 H new ATOM 0 HG22 VAL A 57 -8.409 30.749 -3.957 1.00100.00 H new ATOM 0 HG23 VAL A 57 -9.404 30.813 -2.483 1.00100.00 H new ATOM 874 N PHE A 58 -9.669 32.075 -5.597 1.00100.00 N ATOM 875 CA PHE A 58 -8.973 32.908 -6.541 1.00100.00 C ATOM 876 C PHE A 58 -9.930 33.445 -7.569 1.00100.00 C ATOM 877 O PHE A 58 -9.692 33.385 -8.776 1.00100.00 O ATOM 878 CB PHE A 58 -7.711 32.254 -7.185 1.00100.00 C ATOM 879 CG PHE A 58 -6.761 31.677 -6.161 1.00100.00 C ATOM 880 CD1 PHE A 58 -6.115 32.522 -5.248 1.00100.00 C ATOM 881 CD2 PHE A 58 -6.545 30.292 -6.105 1.00100.00 C ATOM 882 CE1 PHE A 58 -5.253 31.982 -4.282 1.00100.00 C ATOM 883 CE2 PHE A 58 -5.688 29.753 -5.136 1.00100.00 C ATOM 884 CZ PHE A 58 -5.042 30.599 -4.224 1.00100.00 C ATOM 0 H PHE A 58 -9.502 32.374 -4.636 1.00100.00 H new ATOM 0 HA PHE A 58 -8.568 33.742 -5.968 1.00100.00 H new ATOM 0 HB2 PHE A 58 -8.025 31.464 -7.867 1.00100.00 H new ATOM 0 HB3 PHE A 58 -7.185 33.000 -7.781 1.00100.00 H new ATOM 0 HD1 PHE A 58 -6.281 33.588 -5.288 1.00100.00 H new ATOM 0 HD2 PHE A 58 -7.040 29.640 -6.810 1.00100.00 H new ATOM 0 HE1 PHE A 58 -4.751 32.634 -3.582 1.00100.00 H new ATOM 0 HE2 PHE A 58 -5.525 28.686 -5.092 1.00100.00 H new ATOM 0 HZ PHE A 58 -4.382 30.184 -3.477 1.00100.00 H new ATOM 894 N ASP A 59 -11.079 33.965 -7.061 1.00100.00 N ATOM 895 CA ASP A 59 -12.121 34.545 -7.868 1.00100.00 C ATOM 896 C ASP A 59 -11.565 35.740 -8.630 1.00100.00 C ATOM 897 O ASP A 59 -11.824 35.794 -9.835 1.00100.00 O ATOM 898 CB ASP A 59 -13.388 34.898 -7.038 1.00100.00 C ATOM 899 CG ASP A 59 -14.476 35.467 -7.938 1.00100.00 C ATOM 900 OD1 ASP A 59 -15.097 34.655 -8.657 1.00100.00 O ATOM 901 OD2 ASP A 59 -14.661 36.702 -7.897 1.00100.00 O ATOM 0 H ASP A 59 -11.285 33.980 -6.062 1.00100.00 H new ATOM 0 HA ASP A 59 -12.455 33.802 -8.592 1.00100.00 H new ATOM 0 HB2 ASP A 59 -13.757 34.007 -6.531 1.00100.00 H new ATOM 0 HB3 ASP A 59 -13.133 35.622 -6.264 1.00100.00 H new ATOM 906 N PRO A 60 -10.789 36.709 -8.021 1.00100.00 N ATOM 907 CA PRO A 60 -10.207 37.795 -8.783 1.00100.00 C ATOM 908 C PRO A 60 -9.104 37.220 -9.640 1.00100.00 C ATOM 909 O PRO A 60 -8.440 36.274 -9.204 1.00100.00 O ATOM 910 CB PRO A 60 -9.725 38.826 -7.763 1.00100.00 C ATOM 911 CG PRO A 60 -9.401 37.945 -6.555 1.00100.00 C ATOM 912 CD PRO A 60 -10.451 36.833 -6.617 1.00100.00 C ATOM 0 HA PRO A 60 -10.904 38.288 -9.461 1.00100.00 H new ATOM 0 HB2 PRO A 60 -8.851 39.373 -8.116 1.00100.00 H new ATOM 0 HB3 PRO A 60 -10.493 39.566 -7.535 1.00100.00 H new ATOM 0 HG2 PRO A 60 -8.390 37.543 -6.614 1.00100.00 H new ATOM 0 HG3 PRO A 60 -9.468 38.506 -5.623 1.00100.00 H new ATOM 0 HD2 PRO A 60 -10.057 35.896 -6.222 1.00100.00 H new ATOM 0 HD3 PRO A 60 -11.328 37.086 -6.021 1.00100.00 H new ATOM 920 N ASP A 61 -8.886 37.786 -10.846 1.00100.00 N ATOM 921 CA ASP A 61 -7.875 37.264 -11.727 1.00100.00 C ATOM 922 C ASP A 61 -6.491 37.550 -11.246 1.00100.00 C ATOM 923 O ASP A 61 -6.181 38.670 -10.830 1.00100.00 O ATOM 924 CB ASP A 61 -7.991 37.741 -13.192 1.00100.00 C ATOM 925 CG ASP A 61 -9.336 37.342 -13.783 1.00100.00 C ATOM 926 OD1 ASP A 61 -9.598 36.121 -13.824 1.00100.00 O ATOM 927 OD2 ASP A 61 -10.081 38.266 -14.178 1.00100.00 O ATOM 0 H ASP A 61 -9.398 38.590 -11.208 1.00100.00 H new ATOM 0 HA ASP A 61 -8.061 36.190 -11.710 1.00100.00 H new ATOM 0 HB2 ASP A 61 -7.875 38.824 -13.237 1.00100.00 H new ATOM 0 HB3 ASP A 61 -7.185 37.309 -13.785 1.00100.00 H new ATOM 932 N LEU A 62 -5.655 36.487 -11.249 1.00100.00 N ATOM 933 CA LEU A 62 -4.283 36.582 -10.834 1.00100.00 C ATOM 934 C LEU A 62 -3.423 36.294 -12.027 1.00100.00 C ATOM 935 O LEU A 62 -2.514 37.069 -12.333 1.00100.00 O ATOM 936 CB LEU A 62 -3.869 35.577 -9.739 1.00100.00 C ATOM 937 CG LEU A 62 -4.755 35.692 -8.495 1.00100.00 C ATOM 938 CD1 LEU A 62 -4.326 34.634 -7.481 1.00100.00 C ATOM 939 CD2 LEU A 62 -4.632 37.077 -7.859 1.00100.00 C ATOM 0 H LEU A 62 -5.935 35.551 -11.543 1.00100.00 H new ATOM 0 HA LEU A 62 -4.159 37.583 -10.421 1.00100.00 H new ATOM 0 HB2 LEU A 62 -3.929 34.563 -10.135 1.00100.00 H new ATOM 0 HB3 LEU A 62 -2.829 35.750 -9.462 1.00100.00 H new ATOM 0 HG LEU A 62 -5.793 35.540 -8.791 1.00100.00 H new ATOM 0 HD11 LEU A 62 -4.951 34.708 -6.591 1.00100.00 H new ATOM 0 HD12 LEU A 62 -4.436 33.643 -7.921 1.00100.00 H new ATOM 0 HD13 LEU A 62 -3.284 34.795 -7.206 1.00100.00 H new ATOM 0 HD21 LEU A 62 -5.272 37.131 -6.978 1.00100.00 H new ATOM 0 HD22 LEU A 62 -3.597 37.253 -7.567 1.00100.00 H new ATOM 0 HD23 LEU A 62 -4.940 37.836 -8.578 1.00100.00 H new ATOM 951 N ASP A 63 -3.715 35.178 -12.735 1.00100.00 N ATOM 952 CA ASP A 63 -2.978 34.750 -13.893 1.00100.00 C ATOM 953 C ASP A 63 -3.925 34.680 -15.056 1.00100.00 C ATOM 954 O ASP A 63 -5.111 34.383 -14.899 1.00100.00 O ATOM 955 CB ASP A 63 -2.336 33.349 -13.691 1.00100.00 C ATOM 956 CG ASP A 63 -1.404 32.952 -14.830 1.00100.00 C ATOM 957 OD1 ASP A 63 -0.903 33.868 -15.517 1.00100.00 O ATOM 958 OD2 ASP A 63 -1.195 31.730 -14.982 1.00100.00 O ATOM 0 H ASP A 63 -4.487 34.556 -12.494 1.00100.00 H new ATOM 0 HA ASP A 63 -2.175 35.465 -14.070 1.00100.00 H new ATOM 0 HB2 ASP A 63 -1.779 33.342 -12.754 1.00100.00 H new ATOM 0 HB3 ASP A 63 -3.126 32.603 -13.598 1.00100.00 H new ATOM 963 N MET A 64 -3.398 35.016 -16.259 1.00100.00 N ATOM 964 CA MET A 64 -4.129 34.995 -17.504 1.00100.00 C ATOM 965 C MET A 64 -4.549 33.590 -17.844 1.00100.00 C ATOM 966 O MET A 64 -5.710 33.355 -18.184 1.00100.00 O ATOM 967 CB MET A 64 -3.317 35.567 -18.679 1.00100.00 C ATOM 968 CG MET A 64 -2.958 37.027 -18.406 1.00100.00 C ATOM 969 SD MET A 64 -1.958 37.801 -19.703 1.00100.00 S ATOM 970 CE MET A 64 -3.131 37.707 -21.079 1.00100.00 C ATOM 0 H MET A 64 -2.428 35.313 -16.369 1.00100.00 H new ATOM 0 HA MET A 64 -5.004 35.629 -17.357 1.00100.00 H new ATOM 0 HB2 MET A 64 -2.409 34.982 -18.823 1.00100.00 H new ATOM 0 HB3 MET A 64 -3.894 35.492 -19.601 1.00100.00 H new ATOM 0 HG2 MET A 64 -3.878 37.599 -18.282 1.00100.00 H new ATOM 0 HG3 MET A 64 -2.417 37.086 -17.462 1.00100.00 H new ATOM 0 HE1 MET A 64 -2.821 38.391 -21.869 1.00100.00 H new ATOM 0 HE2 MET A 64 -3.154 36.689 -21.469 1.00100.00 H new ATOM 0 HE3 MET A 64 -4.125 37.984 -20.729 1.00100.00 H new ATOM 980 N GLU A 65 -3.635 32.611 -17.635 1.00100.00 N ATOM 981 CA GLU A 65 -3.917 31.225 -17.900 1.00100.00 C ATOM 982 C GLU A 65 -4.624 30.692 -16.697 1.00100.00 C ATOM 983 O GLU A 65 -4.193 30.918 -15.561 1.00100.00 O ATOM 984 CB GLU A 65 -2.665 30.365 -18.166 1.00100.00 C ATOM 985 CG GLU A 65 -1.883 30.909 -19.361 1.00100.00 C ATOM 986 CD GLU A 65 -2.738 30.937 -20.621 1.00100.00 C ATOM 987 OE1 GLU A 65 -3.340 29.884 -20.924 1.00100.00 O ATOM 988 OE2 GLU A 65 -2.775 32.012 -21.258 1.00100.00 O ATOM 0 H GLU A 65 -2.695 32.784 -17.280 1.00100.00 H new ATOM 0 HA GLU A 65 -4.513 31.171 -18.811 1.00100.00 H new ATOM 0 HB2 GLU A 65 -2.028 30.356 -17.281 1.00100.00 H new ATOM 0 HB3 GLU A 65 -2.960 29.333 -18.357 1.00100.00 H new ATOM 0 HG2 GLU A 65 -1.529 31.915 -19.138 1.00100.00 H new ATOM 0 HG3 GLU A 65 -1.001 30.291 -19.532 1.00100.00 H new ATOM 995 N VAL A 66 -5.757 29.994 -16.940 1.00100.00 N ATOM 996 CA VAL A 66 -6.525 29.459 -15.853 1.00100.00 C ATOM 997 C VAL A 66 -6.111 28.034 -15.643 1.00100.00 C ATOM 998 O VAL A 66 -6.350 27.152 -16.472 1.00100.00 O ATOM 999 CB VAL A 66 -8.035 29.560 -16.051 1.00100.00 C ATOM 1000 CG1 VAL A 66 -8.762 28.993 -14.831 1.00100.00 C ATOM 1001 CG2 VAL A 66 -8.428 31.025 -16.240 1.00100.00 C ATOM 0 H VAL A 66 -6.133 29.804 -17.869 1.00100.00 H new ATOM 0 HA VAL A 66 -6.315 30.063 -14.970 1.00100.00 H new ATOM 0 HB VAL A 66 -8.317 28.987 -16.934 1.00100.00 H new ATOM 0 HG11 VAL A 66 -9.839 29.069 -14.981 1.00100.00 H new ATOM 0 HG12 VAL A 66 -8.487 27.947 -14.698 1.00100.00 H new ATOM 0 HG13 VAL A 66 -8.479 29.558 -13.943 1.00100.00 H new ATOM 0 HG21 VAL A 66 -9.506 31.097 -16.381 1.00100.00 H new ATOM 0 HG22 VAL A 66 -8.139 31.596 -15.358 1.00100.00 H new ATOM 0 HG23 VAL A 66 -7.919 31.428 -17.116 1.00100.00 H new ATOM 1011 N VAL A 67 -5.420 27.833 -14.506 1.00100.00 N ATOM 1012 CA VAL A 67 -4.941 26.559 -14.032 1.00100.00 C ATOM 1013 C VAL A 67 -5.449 26.599 -12.610 1.00100.00 C ATOM 1014 O VAL A 67 -5.304 27.624 -11.937 1.00100.00 O ATOM 1015 CB VAL A 67 -3.422 26.422 -13.997 1.00100.00 C ATOM 1016 CG1 VAL A 67 -3.022 25.044 -13.473 1.00100.00 C ATOM 1017 CG2 VAL A 67 -2.862 26.613 -15.406 1.00100.00 C ATOM 0 H VAL A 67 -5.179 28.600 -13.878 1.00100.00 H new ATOM 0 HA VAL A 67 -5.269 25.737 -14.668 1.00100.00 H new ATOM 0 HB VAL A 67 -3.015 27.183 -13.331 1.00100.00 H new ATOM 0 HG11 VAL A 67 -1.935 24.963 -13.455 1.00100.00 H new ATOM 0 HG12 VAL A 67 -3.413 24.911 -12.464 1.00100.00 H new ATOM 0 HG13 VAL A 67 -3.432 24.273 -14.126 1.00100.00 H new ATOM 0 HG21 VAL A 67 -1.777 26.515 -15.382 1.00100.00 H new ATOM 0 HG22 VAL A 67 -3.280 25.856 -16.069 1.00100.00 H new ATOM 0 HG23 VAL A 67 -3.129 27.604 -15.772 1.00100.00 H new ATOM 1027 N PHE A 68 -6.083 25.503 -12.116 1.00100.00 N ATOM 1028 CA PHE A 68 -6.594 25.482 -10.762 1.00100.00 C ATOM 1029 C PHE A 68 -5.425 25.580 -9.805 1.00100.00 C ATOM 1030 O PHE A 68 -5.500 26.317 -8.820 1.00100.00 O ATOM 1031 CB PHE A 68 -7.494 24.258 -10.436 1.00100.00 C ATOM 1032 CG PHE A 68 -8.162 24.389 -9.084 1.00100.00 C ATOM 1033 CD1 PHE A 68 -9.273 25.232 -8.935 1.00100.00 C ATOM 1034 CD2 PHE A 68 -7.656 23.700 -7.973 1.00100.00 C ATOM 1035 CE1 PHE A 68 -9.879 25.385 -7.680 1.00100.00 C ATOM 1036 CE2 PHE A 68 -8.263 23.851 -6.718 1.00100.00 C ATOM 1037 CZ PHE A 68 -9.372 24.694 -6.570 1.00100.00 C ATOM 0 H PHE A 68 -6.240 24.644 -12.644 1.00100.00 H new ATOM 0 HA PHE A 68 -7.256 26.341 -10.649 1.00100.00 H new ATOM 0 HB2 PHE A 68 -8.256 24.153 -11.208 1.00100.00 H new ATOM 0 HB3 PHE A 68 -6.892 23.350 -10.456 1.00100.00 H new ATOM 0 HD1 PHE A 68 -9.663 25.765 -9.790 1.00100.00 H new ATOM 0 HD2 PHE A 68 -6.799 23.053 -8.084 1.00100.00 H new ATOM 0 HE1 PHE A 68 -10.735 26.034 -7.568 1.00100.00 H new ATOM 0 HE2 PHE A 68 -7.875 23.316 -5.864 1.00100.00 H new ATOM 0 HZ PHE A 68 -9.836 24.812 -5.602 1.00100.00 H new ATOM 1047 N GLU A 69 -4.307 24.870 -10.102 1.00100.00 N ATOM 1048 CA GLU A 69 -3.138 24.918 -9.267 1.00100.00 C ATOM 1049 C GLU A 69 -2.331 26.113 -9.694 1.00100.00 C ATOM 1050 O GLU A 69 -1.487 26.040 -10.589 1.00100.00 O ATOM 1051 CB GLU A 69 -2.260 23.654 -9.359 1.00100.00 C ATOM 1052 CG GLU A 69 -3.044 22.441 -8.858 1.00100.00 C ATOM 1053 CD GLU A 69 -2.213 21.166 -8.915 1.00100.00 C ATOM 1054 OE1 GLU A 69 -1.410 21.045 -9.865 1.00100.00 O ATOM 1055 OE2 GLU A 69 -2.403 20.329 -8.006 1.00100.00 O ATOM 0 H GLU A 69 -4.217 24.266 -10.919 1.00100.00 H new ATOM 0 HA GLU A 69 -3.467 24.984 -8.230 1.00100.00 H new ATOM 0 HB2 GLU A 69 -1.944 23.494 -10.390 1.00100.00 H new ATOM 0 HB3 GLU A 69 -1.355 23.784 -8.765 1.00100.00 H new ATOM 0 HG2 GLU A 69 -3.369 22.617 -7.833 1.00100.00 H new ATOM 0 HG3 GLU A 69 -3.943 22.316 -9.461 1.00100.00 H new ATOM 1062 N THR A 70 -2.614 27.261 -9.041 1.00100.00 N ATOM 1063 CA THR A 70 -1.943 28.504 -9.306 1.00100.00 C ATOM 1064 C THR A 70 -1.169 28.782 -8.054 1.00100.00 C ATOM 1065 O THR A 70 -1.711 28.755 -6.945 1.00100.00 O ATOM 1066 CB THR A 70 -2.888 29.666 -9.568 1.00100.00 C ATOM 1067 OG1 THR A 70 -3.642 29.398 -10.728 1.00100.00 O ATOM 1068 CG2 THR A 70 -2.105 30.962 -9.778 1.00100.00 C ATOM 0 H THR A 70 -3.325 27.327 -8.313 1.00100.00 H new ATOM 0 HA THR A 70 -1.336 28.414 -10.207 1.00100.00 H new ATOM 0 HB THR A 70 -3.543 29.783 -8.705 1.00100.00 H new ATOM 0 HG1 THR A 70 -4.134 28.558 -10.612 1.00100.00 H new ATOM 0 HG21 THR A 70 -2.800 31.781 -9.964 1.00100.00 H new ATOM 0 HG22 THR A 70 -1.517 31.180 -8.887 1.00100.00 H new ATOM 0 HG23 THR A 70 -1.439 30.850 -10.634 1.00100.00 H new ATOM 1076 N GLN A 71 0.142 29.040 -8.228 1.00100.00 N ATOM 1077 CA GLN A 71 1.022 29.316 -7.130 1.00100.00 C ATOM 1078 C GLN A 71 1.485 30.767 -7.270 1.00100.00 C ATOM 1079 O GLN A 71 1.717 31.235 -8.418 1.00100.00 O ATOM 1080 CB GLN A 71 2.258 28.390 -7.115 1.00100.00 C ATOM 1081 CG GLN A 71 1.915 26.967 -6.676 1.00100.00 C ATOM 1082 CD GLN A 71 1.152 26.208 -7.752 1.00100.00 C ATOM 1083 OE1 GLN A 71 -0.001 25.647 -7.383 1.00100.00 O flip ATOM 1084 NE2 GLN A 71 1.605 26.125 -8.893 1.00100.00 N flip ATOM 1085 OXT GLN A 71 1.612 31.426 -6.215 1.00100.00 O ATOM 0 H GLN A 71 0.597 29.057 -9.141 1.00100.00 H new ATOM 0 HA GLN A 71 0.484 29.144 -6.198 1.00100.00 H new ATOM 0 HB2 GLN A 71 2.701 28.363 -8.111 1.00100.00 H new ATOM 0 HB3 GLN A 71 3.010 28.803 -6.443 1.00100.00 H new ATOM 0 HG2 GLN A 71 2.833 26.430 -6.435 1.00100.00 H new ATOM 0 HG3 GLN A 71 1.318 27.002 -5.765 1.00100.00 H new ATOM 0 HE21 GLN A 71 2.492 26.573 -9.123 1.00100.00 H new ATOM 0 HE22 GLN A 71 1.094 25.608 -9.608 1.00100.00 H new TER 1094 GLN A 71 HETATM 1095 ZN ZN A 101 -10.691 18.782 -1.681 1.00 73.25 ZN