USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 514 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 14 CYS SG : rot 144:sc= 0.377 USER MOD Set 1.2: A 23 CYS SG : rot -22:sc= 0.945 USER MOD Set 1.3: A 26 CYS SG : rot -179:sc= -3.09! USER MOD Set 2.1: A 9 MET CE :methyl -166:sc=-0.00982 (180deg=0) USER MOD Set 2.2: A 11 GLN : amide:sc= 0.468 K(o=0.46,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0281 (180deg=0) USER MOD Single : A 2 SER OG : rot 169:sc= 0.233 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -4:sc= 0.346 USER MOD Single : A 8 THR OG1 : rot 81:sc= 0.55 USER MOD Single : A 16 HIS : no HD1:sc= -0.0779 X(o=-0.078,f=-0.087) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.726 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0462 (180deg=-0.356) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.35) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.596 X(o=-0.6,f=-0.099) USER MOD Single : A 36 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 51 THR OG1 : rot 54:sc= -1.1! USER MOD Single : A 64 MET CE :methyl 180:sc= -0.389 (180deg=-0.389) USER MOD Single : A 70 THR OG1 : rot 130:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -3.62! C(o=-3.6!,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.434 -10.439 -14.470 1.00100.00 N ATOM 2 CA GLY A 1 -11.614 -11.448 -13.774 1.00100.00 C ATOM 3 C GLY A 1 -10.566 -11.979 -14.694 1.00100.00 C ATOM 4 O GLY A 1 -10.787 -12.182 -15.889 1.00100.00 O ATOM 0 H1 GLY A 1 -13.437 -10.589 -14.241 1.00100.00 H new ATOM 0 H2 GLY A 1 -12.147 -9.487 -14.164 1.00100.00 H new ATOM 0 H3 GLY A 1 -12.296 -10.528 -15.497 1.00100.00 H new ATOM 0 HA2 GLY A 1 -11.147 -11.005 -12.895 1.00100.00 H new ATOM 0 HA3 GLY A 1 -12.247 -12.263 -13.422 1.00100.00 H new ATOM 10 N SER A 2 -9.374 -12.178 -14.092 1.00100.00 N ATOM 11 CA SER A 2 -8.230 -12.684 -14.795 1.00100.00 C ATOM 12 C SER A 2 -7.684 -13.851 -14.037 1.00100.00 C ATOM 13 O SER A 2 -7.853 -13.953 -12.815 1.00100.00 O ATOM 14 CB SER A 2 -7.106 -11.636 -14.986 1.00100.00 C ATOM 15 OG SER A 2 -6.631 -11.213 -13.727 1.00100.00 O ATOM 0 H SER A 2 -9.203 -11.985 -13.105 1.00100.00 H new ATOM 0 HA SER A 2 -8.565 -12.968 -15.792 1.00100.00 H new ATOM 0 HB2 SER A 2 -6.290 -12.065 -15.568 1.00100.00 H new ATOM 0 HB3 SER A 2 -7.484 -10.782 -15.549 1.00100.00 H new ATOM 0 HG SER A 2 -5.808 -10.694 -13.845 1.00100.00 H new ATOM 21 N THR A 3 -7.025 -14.774 -14.772 1.00100.00 N ATOM 22 CA THR A 3 -6.443 -15.942 -14.176 1.00100.00 C ATOM 23 C THR A 3 -5.092 -15.520 -13.675 1.00100.00 C ATOM 24 O THR A 3 -4.061 -15.657 -14.335 1.00100.00 O ATOM 25 CB THR A 3 -6.363 -17.120 -15.123 1.00100.00 C ATOM 26 OG1 THR A 3 -7.655 -17.421 -15.604 1.00100.00 O ATOM 27 CG2 THR A 3 -5.802 -18.344 -14.399 1.00100.00 C ATOM 0 H THR A 3 -6.896 -14.709 -15.782 1.00100.00 H new ATOM 0 HA THR A 3 -7.071 -16.306 -13.363 1.00100.00 H new ATOM 0 HB THR A 3 -5.705 -16.862 -15.953 1.00100.00 H new ATOM 0 HG1 THR A 3 -7.606 -18.182 -16.219 1.00100.00 H new ATOM 0 HG21 THR A 3 -5.750 -19.184 -15.092 1.00100.00 H new ATOM 0 HG22 THR A 3 -4.803 -18.119 -14.025 1.00100.00 H new ATOM 0 HG23 THR A 3 -6.453 -18.602 -13.564 1.00100.00 H new ATOM 35 N ALA A 4 -5.124 -14.932 -12.468 1.00100.00 N ATOM 36 CA ALA A 4 -3.970 -14.455 -11.777 1.00100.00 C ATOM 37 C ALA A 4 -3.856 -15.353 -10.596 1.00100.00 C ATOM 38 O ALA A 4 -4.862 -15.752 -9.997 1.00100.00 O ATOM 39 CB ALA A 4 -4.116 -13.010 -11.257 1.00100.00 C ATOM 0 H ALA A 4 -5.991 -14.783 -11.952 1.00100.00 H new ATOM 0 HA ALA A 4 -3.111 -14.454 -12.449 1.00100.00 H new ATOM 0 HB1 ALA A 4 -3.202 -12.714 -10.743 1.00100.00 H new ATOM 0 HB2 ALA A 4 -4.294 -12.338 -12.096 1.00100.00 H new ATOM 0 HB3 ALA A 4 -4.956 -12.956 -10.564 1.00100.00 H new ATOM 45 N MET A 5 -2.596 -15.698 -10.252 1.00100.00 N ATOM 46 CA MET A 5 -2.331 -16.565 -9.140 1.00100.00 C ATOM 47 C MET A 5 -2.797 -15.941 -7.856 1.00100.00 C ATOM 48 O MET A 5 -2.756 -14.716 -7.695 1.00100.00 O ATOM 49 CB MET A 5 -0.840 -16.966 -9.011 1.00100.00 C ATOM 50 CG MET A 5 0.031 -15.815 -8.501 1.00100.00 C ATOM 51 SD MET A 5 0.070 -14.342 -9.555 1.00100.00 S ATOM 52 CE MET A 5 1.158 -13.303 -8.547 1.00100.00 C ATOM 0 H MET A 5 -1.762 -15.376 -10.744 1.00100.00 H new ATOM 0 HA MET A 5 -2.892 -17.479 -9.336 1.00100.00 H new ATOM 0 HB2 MET A 5 -0.752 -17.814 -8.331 1.00100.00 H new ATOM 0 HB3 MET A 5 -0.470 -17.296 -9.982 1.00100.00 H new ATOM 0 HG2 MET A 5 -0.324 -15.524 -7.512 1.00100.00 H new ATOM 0 HG3 MET A 5 1.051 -16.180 -8.379 1.00100.00 H new ATOM 0 HE1 MET A 5 1.302 -12.341 -9.040 1.00100.00 H new ATOM 0 HE2 MET A 5 0.706 -13.145 -7.568 1.00100.00 H new ATOM 0 HE3 MET A 5 2.122 -13.796 -8.426 1.00100.00 H new ATOM 62 N ALA A 6 -3.590 -16.759 -7.126 1.00100.00 N ATOM 63 CA ALA A 6 -4.206 -16.445 -5.861 1.00100.00 C ATOM 64 C ALA A 6 -5.123 -15.243 -5.938 1.00100.00 C ATOM 65 O ALA A 6 -5.324 -14.535 -4.948 1.00100.00 O ATOM 66 CB ALA A 6 -3.171 -16.285 -4.720 1.00100.00 C ATOM 0 H ALA A 6 -3.816 -17.703 -7.440 1.00100.00 H new ATOM 0 HA ALA A 6 -4.827 -17.307 -5.618 1.00100.00 H new ATOM 0 HB1 ALA A 6 -3.688 -16.049 -3.790 1.00100.00 H new ATOM 0 HB2 ALA A 6 -2.615 -17.215 -4.600 1.00100.00 H new ATOM 0 HB3 ALA A 6 -2.480 -15.478 -4.966 1.00100.00 H new ATOM 72 N THR A 7 -5.713 -15.013 -7.144 1.00100.00 N ATOM 73 CA THR A 7 -6.627 -13.944 -7.471 1.00100.00 C ATOM 74 C THR A 7 -6.100 -12.574 -7.088 1.00100.00 C ATOM 75 O THR A 7 -6.819 -11.739 -6.533 1.00100.00 O ATOM 76 CB THR A 7 -8.050 -14.201 -7.005 1.00100.00 C ATOM 77 OG1 THR A 7 -8.093 -14.272 -5.597 1.00100.00 O ATOM 78 CG2 THR A 7 -8.571 -15.510 -7.597 1.00100.00 C ATOM 0 H THR A 7 -5.535 -15.620 -7.944 1.00100.00 H new ATOM 0 HA THR A 7 -6.688 -13.935 -8.559 1.00100.00 H new ATOM 0 HB THR A 7 -8.680 -13.379 -7.344 1.00100.00 H new ATOM 0 HG1 THR A 7 -7.183 -14.206 -5.238 1.00100.00 H new ATOM 0 HG21 THR A 7 -9.592 -15.683 -7.256 1.00100.00 H new ATOM 0 HG22 THR A 7 -8.558 -15.448 -8.685 1.00100.00 H new ATOM 0 HG23 THR A 7 -7.936 -16.334 -7.273 1.00100.00 H new ATOM 86 N THR A 8 -4.796 -12.332 -7.378 1.00100.00 N ATOM 87 CA THR A 8 -4.130 -11.084 -7.080 1.00100.00 C ATOM 88 C THR A 8 -4.632 -10.048 -8.055 1.00100.00 C ATOM 89 O THR A 8 -4.816 -10.331 -9.242 1.00100.00 O ATOM 90 CB THR A 8 -2.619 -11.221 -7.137 1.00100.00 C ATOM 91 OG1 THR A 8 -2.214 -12.209 -6.215 1.00100.00 O ATOM 92 CG2 THR A 8 -1.932 -9.902 -6.788 1.00100.00 C ATOM 0 H THR A 8 -4.191 -13.018 -7.829 1.00100.00 H new ATOM 0 HA THR A 8 -4.361 -10.778 -6.060 1.00100.00 H new ATOM 0 HB THR A 8 -2.334 -11.500 -8.151 1.00100.00 H new ATOM 0 HG1 THR A 8 -2.338 -13.097 -6.611 1.00100.00 H new ATOM 0 HG21 THR A 8 -0.851 -10.031 -6.837 1.00100.00 H new ATOM 0 HG22 THR A 8 -2.238 -9.133 -7.497 1.00100.00 H new ATOM 0 HG23 THR A 8 -2.216 -9.599 -5.780 1.00100.00 H new ATOM 100 N MET A 9 -4.883 -8.818 -7.542 1.00100.00 N ATOM 101 CA MET A 9 -5.378 -7.742 -8.356 1.00100.00 C ATOM 102 C MET A 9 -4.208 -7.203 -9.131 1.00100.00 C ATOM 103 O MET A 9 -3.098 -7.067 -8.614 1.00100.00 O ATOM 104 CB MET A 9 -6.028 -6.602 -7.547 1.00100.00 C ATOM 105 CG MET A 9 -6.883 -5.753 -8.485 1.00100.00 C ATOM 106 SD MET A 9 -8.308 -6.655 -9.151 1.00100.00 S ATOM 107 CE MET A 9 -8.953 -5.407 -10.290 1.00100.00 C ATOM 0 H MET A 9 -4.742 -8.572 -6.562 1.00100.00 H new ATOM 0 HA MET A 9 -6.164 -8.134 -9.002 1.00100.00 H new ATOM 0 HB2 MET A 9 -6.642 -7.012 -6.745 1.00100.00 H new ATOM 0 HB3 MET A 9 -5.260 -5.987 -7.078 1.00100.00 H new ATOM 0 HG2 MET A 9 -7.235 -4.872 -7.949 1.00100.00 H new ATOM 0 HG3 MET A 9 -6.266 -5.399 -9.310 1.00100.00 H new ATOM 0 HE1 MET A 9 -9.960 -5.685 -10.602 1.00100.00 H new ATOM 0 HE2 MET A 9 -8.982 -4.439 -9.790 1.00100.00 H new ATOM 0 HE3 MET A 9 -8.306 -5.344 -11.165 1.00100.00 H new ATOM 117 N GLU A 10 -4.422 -7.074 -10.453 1.00100.00 N ATOM 118 CA GLU A 10 -3.437 -6.626 -11.399 1.00100.00 C ATOM 119 C GLU A 10 -2.903 -5.239 -11.239 1.00100.00 C ATOM 120 O GLU A 10 -1.687 -5.064 -11.363 1.00100.00 O ATOM 121 CB GLU A 10 -3.914 -6.777 -12.851 1.00100.00 C ATOM 122 CG GLU A 10 -4.303 -8.227 -13.137 1.00100.00 C ATOM 123 CD GLU A 10 -4.730 -8.417 -14.589 1.00100.00 C ATOM 124 OE1 GLU A 10 -5.254 -7.439 -15.166 1.00100.00 O1- ATOM 125 OE2 GLU A 10 -4.529 -9.542 -15.094 1.00100.00 O ATOM 0 H GLU A 10 -5.320 -7.291 -10.885 1.00100.00 H new ATOM 0 HA GLU A 10 -2.610 -7.297 -11.166 1.00100.00 H new ATOM 0 HB2 GLU A 10 -4.767 -6.123 -13.030 1.00100.00 H new ATOM 0 HB3 GLU A 10 -3.124 -6.464 -13.534 1.00100.00 H new ATOM 0 HG2 GLU A 10 -3.459 -8.881 -12.917 1.00100.00 H new ATOM 0 HG3 GLU A 10 -5.117 -8.523 -12.476 1.00100.00 H new ATOM 132 N GLN A 11 -3.766 -4.235 -10.935 1.00100.00 N ATOM 133 CA GLN A 11 -3.269 -2.880 -10.826 1.00100.00 C ATOM 134 C GLN A 11 -2.428 -2.651 -9.608 1.00100.00 C ATOM 135 O GLN A 11 -2.516 -3.359 -8.601 1.00100.00 O ATOM 136 CB GLN A 11 -4.289 -1.708 -10.900 1.00100.00 C ATOM 137 CG GLN A 11 -5.354 -1.820 -9.811 1.00100.00 C ATOM 138 CD GLN A 11 -6.617 -2.497 -10.318 1.00100.00 C ATOM 139 OE1 GLN A 11 -6.551 -3.486 -11.045 1.00100.00 O ATOM 140 NE2 GLN A 11 -7.777 -1.960 -9.932 1.00100.00 N ATOM 0 H GLN A 11 -4.766 -4.350 -10.771 1.00100.00 H new ATOM 0 HA GLN A 11 -2.686 -2.840 -11.746 1.00100.00 H new ATOM 0 HB2 GLN A 11 -3.762 -0.759 -10.798 1.00100.00 H new ATOM 0 HB3 GLN A 11 -4.768 -1.703 -11.879 1.00100.00 H new ATOM 0 HG2 GLN A 11 -4.953 -2.384 -8.969 1.00100.00 H new ATOM 0 HG3 GLN A 11 -5.600 -0.825 -9.440 1.00100.00 H new ATOM 0 HE21 GLN A 11 -7.783 -1.138 -9.328 1.00100.00 H new ATOM 0 HE22 GLN A 11 -8.658 -2.371 -10.241 1.00100.00 H new ATOM 149 N GLU A 12 -1.582 -1.605 -9.716 1.00100.00 N ATOM 150 CA GLU A 12 -0.669 -1.212 -8.686 1.00100.00 C ATOM 151 C GLU A 12 -1.403 -0.376 -7.664 1.00100.00 C ATOM 152 O GLU A 12 -1.466 0.851 -7.731 1.00100.00 O ATOM 153 CB GLU A 12 0.561 -0.478 -9.267 1.00100.00 C ATOM 154 CG GLU A 12 1.258 -1.269 -10.372 1.00100.00 C ATOM 155 CD GLU A 12 2.587 -0.628 -10.750 1.00100.00 C ATOM 156 OE1 GLU A 12 2.683 0.614 -10.635 1.00100.00 O ATOM 157 OE2 GLU A 12 3.492 -1.394 -11.147 1.00100.00 O1- ATOM 0 H GLU A 12 -1.534 -1.016 -10.547 1.00100.00 H new ATOM 0 HA GLU A 12 -0.282 -2.102 -8.191 1.00100.00 H new ATOM 0 HB2 GLU A 12 0.248 0.489 -9.661 1.00100.00 H new ATOM 0 HB3 GLU A 12 1.272 -0.280 -8.465 1.00100.00 H new ATOM 0 HG2 GLU A 12 1.426 -2.293 -10.040 1.00100.00 H new ATOM 0 HG3 GLU A 12 0.613 -1.320 -11.249 1.00100.00 H new ATOM 164 N ILE A 13 -1.999 -1.098 -6.686 1.00100.00 N ATOM 165 CA ILE A 13 -2.788 -0.544 -5.613 1.00100.00 C ATOM 166 C ILE A 13 -2.100 -0.027 -4.377 1.00100.00 C ATOM 167 O ILE A 13 -2.767 0.634 -3.576 1.00100.00 O ATOM 168 CB ILE A 13 -3.950 -1.439 -5.177 1.00100.00 C ATOM 169 CG1 ILE A 13 -3.513 -2.819 -4.673 1.00100.00 C ATOM 170 CG2 ILE A 13 -4.871 -1.661 -6.372 1.00100.00 C ATOM 171 CD1 ILE A 13 -2.842 -2.759 -3.302 1.00100.00 C ATOM 0 H ILE A 13 -1.928 -2.115 -6.641 1.00100.00 H new ATOM 0 HA ILE A 13 -3.137 0.350 -6.130 1.00100.00 H new ATOM 0 HB ILE A 13 -4.442 -0.924 -4.351 1.00100.00 H new ATOM 0 HG12 ILE A 13 -4.383 -3.474 -4.619 1.00100.00 H new ATOM 0 HG13 ILE A 13 -2.824 -3.262 -5.392 1.00100.00 H new ATOM 0 HG21 ILE A 13 -5.704 -2.298 -6.076 1.00100.00 H new ATOM 0 HG22 ILE A 13 -5.253 -0.701 -6.720 1.00100.00 H new ATOM 0 HG23 ILE A 13 -4.314 -2.143 -7.176 1.00100.00 H new ATOM 0 HD11 ILE A 13 -2.553 -3.764 -2.994 1.00100.00 H new ATOM 0 HD12 ILE A 13 -1.955 -2.128 -3.358 1.00100.00 H new ATOM 0 HD13 ILE A 13 -3.538 -2.343 -2.574 1.00100.00 H new ATOM 183 N CYS A 14 -0.782 -0.283 -4.180 1.00100.00 N ATOM 184 CA CYS A 14 -0.076 0.187 -3.001 1.00100.00 C ATOM 185 C CYS A 14 -0.057 1.687 -3.002 1.00100.00 C ATOM 186 O CYS A 14 -0.019 2.332 -4.053 1.00100.00 O ATOM 187 CB CYS A 14 1.355 -0.363 -2.797 1.00100.00 C ATOM 188 SG CYS A 14 2.013 0.112 -1.178 1.00100.00 S ATOM 0 H CYS A 14 -0.203 -0.813 -4.832 1.00100.00 H new ATOM 0 HA CYS A 14 -0.637 -0.211 -2.156 1.00100.00 H new ATOM 0 HB2 CYS A 14 1.346 -1.449 -2.885 1.00100.00 H new ATOM 0 HB3 CYS A 14 2.008 0.015 -3.583 1.00100.00 H new ATOM 0 HG CYS A 14 2.746 -0.853 -0.707 1.00100.00 H new ATOM 193 N ALA A 15 -0.092 2.254 -1.775 1.00100.00 N ATOM 194 CA ALA A 15 -0.148 3.669 -1.515 1.00100.00 C ATOM 195 C ALA A 15 1.020 4.417 -2.077 1.00100.00 C ATOM 196 O ALA A 15 0.830 5.494 -2.646 1.00100.00 O ATOM 197 CB ALA A 15 -0.200 3.969 -0.008 1.00100.00 C ATOM 0 H ALA A 15 -0.081 1.697 -0.920 1.00100.00 H new ATOM 0 HA ALA A 15 -1.061 4.003 -2.008 1.00100.00 H new ATOM 0 HB1 ALA A 15 -0.241 5.047 0.147 1.00100.00 H new ATOM 0 HB2 ALA A 15 -1.087 3.506 0.425 1.00100.00 H new ATOM 0 HB3 ALA A 15 0.691 3.567 0.474 1.00100.00 H new ATOM 203 N HIS A 16 2.240 3.851 -1.938 1.00100.00 N ATOM 204 CA HIS A 16 3.443 4.459 -2.437 1.00100.00 C ATOM 205 C HIS A 16 3.448 4.605 -3.935 1.00100.00 C ATOM 206 O HIS A 16 3.875 5.664 -4.398 1.00100.00 O ATOM 207 CB HIS A 16 4.710 3.720 -2.007 1.00100.00 C ATOM 208 CG HIS A 16 4.989 3.806 -0.535 1.00100.00 C ATOM 209 ND1 HIS A 16 4.277 3.188 0.467 1.00100.00 N ATOM 210 CD2 HIS A 16 6.018 4.498 0.046 1.00100.00 C ATOM 211 CE1 HIS A 16 4.872 3.510 1.631 1.00100.00 C ATOM 212 NE2 HIS A 16 5.935 4.305 1.427 1.00100.00 N ATOM 0 H HIS A 16 2.393 2.957 -1.472 1.00100.00 H new ATOM 0 HA HIS A 16 3.449 5.452 -1.987 1.00100.00 H new ATOM 0 HB2 HIS A 16 4.622 2.671 -2.290 1.00100.00 H new ATOM 0 HB3 HIS A 16 5.561 4.127 -2.553 1.00100.00 H new ATOM 0 HD2 HIS A 16 6.761 5.087 -0.471 1.00100.00 H new ATOM 0 HE1 HIS A 16 4.538 3.173 2.601 1.00100.00 H new ATOM 0 HE2 HIS A 16 6.557 4.690 2.138 1.00100.00 H new ATOM 219 N SER A 17 2.978 3.553 -4.689 1.00100.00 N ATOM 220 CA SER A 17 2.914 3.542 -6.146 1.00100.00 C ATOM 221 C SER A 17 2.727 2.162 -6.722 1.00100.00 C ATOM 222 O SER A 17 1.848 1.961 -7.556 1.00100.00 O ATOM 223 CB SER A 17 4.166 4.088 -6.897 1.00100.00 C ATOM 224 OG SER A 17 5.330 3.412 -6.474 1.00100.00 O ATOM 0 H SER A 17 2.635 2.689 -4.269 1.00100.00 H new ATOM 0 HA SER A 17 2.060 4.201 -6.305 1.00100.00 H new ATOM 0 HB2 SER A 17 4.036 3.963 -7.972 1.00100.00 H new ATOM 0 HB3 SER A 17 4.271 5.157 -6.711 1.00100.00 H new ATOM 0 HG SER A 17 6.107 3.765 -6.956 1.00100.00 H new ATOM 230 N MET A 18 3.535 1.183 -6.253 1.00100.00 N ATOM 231 CA MET A 18 3.539 -0.175 -6.752 1.00100.00 C ATOM 232 C MET A 18 2.460 -1.082 -6.228 1.00100.00 C ATOM 233 O MET A 18 1.398 -0.585 -5.869 1.00100.00 O ATOM 234 CB MET A 18 4.928 -0.822 -6.612 1.00100.00 C ATOM 235 CG MET A 18 6.036 0.043 -7.202 1.00100.00 C ATOM 236 SD MET A 18 7.640 -0.795 -7.198 1.00100.00 S ATOM 237 CE MET A 18 8.635 0.487 -7.995 1.00100.00 C ATOM 0 H MET A 18 4.208 1.338 -5.503 1.00100.00 H new ATOM 0 HA MET A 18 3.293 -0.061 -7.808 1.00100.00 H new ATOM 0 HB2 MET A 18 5.136 -1.004 -5.558 1.00100.00 H new ATOM 0 HB3 MET A 18 4.925 -1.792 -7.109 1.00100.00 H new ATOM 0 HG2 MET A 18 5.774 0.317 -8.224 1.00100.00 H new ATOM 0 HG3 MET A 18 6.112 0.970 -6.633 1.00100.00 H new ATOM 0 HE1 MET A 18 9.667 0.146 -8.080 1.00100.00 H new ATOM 0 HE2 MET A 18 8.237 0.691 -8.989 1.00100.00 H new ATOM 0 HE3 MET A 18 8.602 1.398 -7.397 1.00100.00 H new ATOM 247 N THR A 19 2.486 -2.360 -6.691 1.00100.00 N ATOM 248 CA THR A 19 1.541 -3.405 -6.347 1.00100.00 C ATOM 249 C THR A 19 1.792 -3.858 -4.914 1.00100.00 C ATOM 250 O THR A 19 2.827 -3.548 -4.323 1.00100.00 O ATOM 251 CB THR A 19 1.675 -4.574 -7.338 1.00100.00 C ATOM 252 OG1 THR A 19 1.471 -4.100 -8.647 1.00100.00 O ATOM 253 CG2 THR A 19 0.648 -5.677 -7.079 1.00100.00 C ATOM 0 H THR A 19 3.204 -2.682 -7.340 1.00100.00 H new ATOM 0 HA THR A 19 0.522 -3.025 -6.414 1.00100.00 H new ATOM 0 HB THR A 19 2.674 -4.989 -7.209 1.00100.00 H new ATOM 0 HG1 THR A 19 1.557 -4.842 -9.281 1.00100.00 H new ATOM 0 HG21 THR A 19 0.784 -6.479 -7.805 1.00100.00 H new ATOM 0 HG22 THR A 19 0.784 -6.072 -6.072 1.00100.00 H new ATOM 0 HG23 THR A 19 -0.358 -5.268 -7.175 1.00100.00 H new ATOM 261 N PHE A 20 0.818 -4.592 -4.320 1.00100.00 N ATOM 262 CA PHE A 20 0.844 -5.147 -2.987 1.00100.00 C ATOM 263 C PHE A 20 2.026 -6.096 -2.896 1.00100.00 C ATOM 264 O PHE A 20 2.754 -6.100 -1.905 1.00100.00 O ATOM 265 CB PHE A 20 -0.490 -5.908 -2.780 1.00100.00 C ATOM 266 CG PHE A 20 -0.583 -6.563 -1.424 1.00100.00 C ATOM 267 CD1 PHE A 20 -1.005 -5.818 -0.314 1.00100.00 C ATOM 268 CD2 PHE A 20 -0.229 -7.910 -1.270 1.00100.00 C ATOM 269 CE1 PHE A 20 -1.077 -6.423 0.947 1.00100.00 C ATOM 270 CE2 PHE A 20 -0.301 -8.515 -0.009 1.00100.00 C ATOM 271 CZ PHE A 20 -0.725 -7.771 1.100 1.00100.00 C ATOM 0 H PHE A 20 -0.050 -4.813 -4.808 1.00100.00 H new ATOM 0 HA PHE A 20 0.949 -4.379 -2.221 1.00100.00 H new ATOM 0 HB2 PHE A 20 -1.322 -5.214 -2.901 1.00100.00 H new ATOM 0 HB3 PHE A 20 -0.594 -6.668 -3.554 1.00100.00 H new ATOM 0 HD1 PHE A 20 -1.274 -4.779 -0.431 1.00100.00 H new ATOM 0 HD2 PHE A 20 0.100 -8.482 -2.125 1.00100.00 H new ATOM 0 HE1 PHE A 20 -1.404 -5.850 1.802 1.00100.00 H new ATOM 0 HE2 PHE A 20 -0.030 -9.554 0.108 1.00100.00 H new ATOM 0 HZ PHE A 20 -0.781 -8.236 2.073 1.00100.00 H new ATOM 281 N GLU A 21 2.231 -6.913 -3.949 1.00100.00 N ATOM 282 CA GLU A 21 3.310 -7.857 -4.089 1.00100.00 C ATOM 283 C GLU A 21 4.643 -7.132 -4.148 1.00100.00 C ATOM 284 O GLU A 21 5.627 -7.572 -3.557 1.00100.00 O ATOM 285 CB GLU A 21 3.081 -8.688 -5.364 1.00100.00 C ATOM 286 CG GLU A 21 4.111 -9.810 -5.486 1.00100.00 C ATOM 287 CD GLU A 21 3.798 -10.733 -6.661 1.00100.00 C ATOM 288 OE1 GLU A 21 2.826 -10.437 -7.389 1.00100.00 O ATOM 289 OE2 GLU A 21 4.540 -11.729 -6.806 1.00100.00 O1- ATOM 0 H GLU A 21 1.605 -6.917 -4.755 1.00100.00 H new ATOM 0 HA GLU A 21 3.332 -8.522 -3.225 1.00100.00 H new ATOM 0 HB2 GLU A 21 2.077 -9.113 -5.349 1.00100.00 H new ATOM 0 HB3 GLU A 21 3.140 -8.040 -6.239 1.00100.00 H new ATOM 0 HG2 GLU A 21 5.105 -9.381 -5.614 1.00100.00 H new ATOM 0 HG3 GLU A 21 4.131 -10.389 -4.563 1.00100.00 H new ATOM 296 N GLU A 22 4.666 -5.972 -4.845 1.00100.00 N ATOM 297 CA GLU A 22 5.814 -5.121 -5.062 1.00100.00 C ATOM 298 C GLU A 22 5.951 -4.061 -3.993 1.00100.00 C ATOM 299 O GLU A 22 6.769 -3.145 -4.127 1.00100.00 O ATOM 300 CB GLU A 22 5.748 -4.434 -6.440 1.00100.00 C ATOM 301 CG GLU A 22 5.714 -5.456 -7.574 1.00100.00 C ATOM 302 CD GLU A 22 7.011 -6.252 -7.631 1.00100.00 C ATOM 303 OE1 GLU A 22 8.035 -5.634 -7.992 1.00100.00 O ATOM 304 OE2 GLU A 22 6.956 -7.459 -7.313 1.00100.00 O1- ATOM 0 H GLU A 22 3.825 -5.602 -5.288 1.00100.00 H new ATOM 0 HA GLU A 22 6.686 -5.773 -5.019 1.00100.00 H new ATOM 0 HB2 GLU A 22 4.861 -3.803 -6.491 1.00100.00 H new ATOM 0 HB3 GLU A 22 6.612 -3.780 -6.564 1.00100.00 H new ATOM 0 HG2 GLU A 22 4.873 -6.134 -7.432 1.00100.00 H new ATOM 0 HG3 GLU A 22 5.555 -4.945 -8.524 1.00100.00 H new ATOM 311 N CYS A 23 5.185 -4.186 -2.881 1.00100.00 N ATOM 312 CA CYS A 23 5.189 -3.256 -1.780 1.00100.00 C ATOM 313 C CYS A 23 6.549 -3.096 -1.136 1.00100.00 C ATOM 314 O CYS A 23 6.863 -1.947 -0.848 1.00100.00 O ATOM 315 CB CYS A 23 4.149 -3.580 -0.685 1.00100.00 C ATOM 316 SG CYS A 23 4.127 -2.249 0.542 1.00100.00 S ATOM 0 H CYS A 23 4.539 -4.964 -2.745 1.00100.00 H new ATOM 0 HA CYS A 23 4.909 -2.312 -2.247 1.00100.00 H new ATOM 0 HB2 CYS A 23 3.161 -3.695 -1.130 1.00100.00 H new ATOM 0 HB3 CYS A 23 4.394 -4.527 -0.205 1.00100.00 H new ATOM 0 HG CYS A 23 5.249 -1.594 0.492 1.00100.00 H new ATOM 322 N PRO A 24 7.412 -4.142 -0.883 1.00100.00 N ATOM 323 CA PRO A 24 8.719 -3.906 -0.307 1.00100.00 C ATOM 324 C PRO A 24 9.571 -2.992 -1.161 1.00100.00 C ATOM 325 O PRO A 24 10.348 -2.229 -0.586 1.00100.00 O ATOM 326 CB PRO A 24 9.327 -5.287 -0.034 1.00100.00 C ATOM 327 CG PRO A 24 8.610 -6.170 -1.056 1.00100.00 C ATOM 328 CD PRO A 24 7.217 -5.549 -1.165 1.00100.00 C ATOM 0 HA PRO A 24 8.651 -3.356 0.631 1.00100.00 H new ATOM 0 HB2 PRO A 24 10.407 -5.291 -0.180 1.00100.00 H new ATOM 0 HB3 PRO A 24 9.143 -5.617 0.988 1.00100.00 H new ATOM 0 HG2 PRO A 24 9.125 -6.168 -2.017 1.00100.00 H new ATOM 0 HG3 PRO A 24 8.560 -7.207 -0.723 1.00100.00 H new ATOM 0 HD2 PRO A 24 6.795 -5.698 -2.159 1.00100.00 H new ATOM 0 HD3 PRO A 24 6.526 -6.002 -0.454 1.00100.00 H new ATOM 336 N LYS A 25 9.434 -3.056 -2.511 1.00100.00 N ATOM 337 CA LYS A 25 10.158 -2.219 -3.440 1.00100.00 C ATOM 338 C LYS A 25 9.742 -0.777 -3.361 1.00100.00 C ATOM 339 O LYS A 25 10.525 0.100 -3.723 1.00100.00 O ATOM 340 CB LYS A 25 10.087 -2.661 -4.911 1.00100.00 C ATOM 341 CG LYS A 25 10.625 -4.084 -5.058 1.00100.00 C ATOM 342 CD LYS A 25 10.728 -4.460 -6.536 1.00100.00 C ATOM 343 CE LYS A 25 11.772 -3.603 -7.253 1.00100.00 C ATOM 344 NZ LYS A 25 13.110 -3.785 -6.668 1.00100.00 N1+ ATOM 0 H LYS A 25 8.800 -3.710 -2.969 1.00100.00 H new ATOM 0 HA LYS A 25 11.191 -2.335 -3.113 1.00100.00 H new ATOM 0 HB2 LYS A 25 9.057 -2.615 -5.263 1.00100.00 H new ATOM 0 HB3 LYS A 25 10.667 -1.979 -5.532 1.00100.00 H new ATOM 0 HG2 LYS A 25 11.605 -4.160 -4.587 1.00100.00 H new ATOM 0 HG3 LYS A 25 9.968 -4.784 -4.542 1.00100.00 H new ATOM 0 HD2 LYS A 25 10.993 -5.513 -6.628 1.00100.00 H new ATOM 0 HD3 LYS A 25 9.757 -4.332 -7.015 1.00100.00 H new ATOM 0 HE2 LYS A 25 11.797 -3.866 -8.310 1.00100.00 H new ATOM 0 HE3 LYS A 25 11.487 -2.553 -7.192 1.00100.00 H new ATOM 0 HZ1 LYS A 25 13.830 -3.433 -7.331 1.00100.00 H new ATOM 0 HZ2 LYS A 25 13.173 -3.256 -5.775 1.00100.00 H new ATOM 0 HZ3 LYS A 25 13.274 -4.795 -6.484 1.00100.00 H new ATOM 358 N CYS A 26 8.505 -0.508 -2.868 1.00100.00 N ATOM 359 CA CYS A 26 7.947 0.814 -2.705 1.00100.00 C ATOM 360 C CYS A 26 8.787 1.625 -1.752 1.00100.00 C ATOM 361 O CYS A 26 8.935 2.834 -1.941 1.00100.00 O ATOM 362 CB CYS A 26 6.508 0.786 -2.183 1.00100.00 C ATOM 363 SG CYS A 26 5.357 0.121 -3.402 1.00100.00 S ATOM 0 H CYS A 26 7.867 -1.246 -2.570 1.00100.00 H new ATOM 0 HA CYS A 26 7.943 1.269 -3.695 1.00100.00 H new ATOM 0 HB2 CYS A 26 6.463 0.183 -1.276 1.00100.00 H new ATOM 0 HB3 CYS A 26 6.202 1.796 -1.909 1.00100.00 H new ATOM 0 HG CYS A 26 4.152 0.138 -2.915 1.00100.00 H new ATOM 369 N SER A 27 9.345 0.963 -0.707 1.00100.00 N ATOM 370 CA SER A 27 10.191 1.564 0.298 1.00100.00 C ATOM 371 C SER A 27 11.427 2.143 -0.330 1.00100.00 C ATOM 372 O SER A 27 11.895 3.192 0.117 1.00100.00 O ATOM 373 CB SER A 27 10.625 0.561 1.372 1.00100.00 C ATOM 374 OG SER A 27 9.488 0.026 2.009 1.00100.00 O ATOM 0 H SER A 27 9.200 -0.035 -0.556 1.00100.00 H new ATOM 0 HA SER A 27 9.597 2.347 0.769 1.00100.00 H new ATOM 0 HB2 SER A 27 11.211 -0.239 0.920 1.00100.00 H new ATOM 0 HB3 SER A 27 11.267 1.052 2.104 1.00100.00 H new ATOM 0 HG SER A 27 9.769 -0.616 2.694 1.00100.00 H new ATOM 380 N ALA A 28 11.992 1.445 -1.351 1.00100.00 N ATOM 381 CA ALA A 28 13.151 1.901 -2.077 1.00100.00 C ATOM 382 C ALA A 28 12.727 3.120 -2.849 1.00100.00 C ATOM 383 O ALA A 28 11.633 3.166 -3.416 1.00100.00 O ATOM 384 CB ALA A 28 13.706 0.866 -3.066 1.00100.00 C ATOM 0 H ALA A 28 11.634 0.547 -1.676 1.00100.00 H new ATOM 0 HA ALA A 28 13.947 2.099 -1.359 1.00100.00 H new ATOM 0 HB1 ALA A 28 14.577 1.280 -3.575 1.00100.00 H new ATOM 0 HB2 ALA A 28 13.996 -0.035 -2.525 1.00100.00 H new ATOM 0 HB3 ALA A 28 12.940 0.618 -3.801 1.00100.00 H new ATOM 390 N LEU A 29 13.602 4.134 -2.880 1.00100.00 N ATOM 391 CA LEU A 29 13.343 5.381 -3.538 1.00100.00 C ATOM 392 C LEU A 29 13.859 5.464 -4.944 1.00100.00 C ATOM 393 O LEU A 29 13.848 6.551 -5.530 1.00100.00 O ATOM 394 CB LEU A 29 13.915 6.570 -2.744 1.00100.00 C ATOM 395 CG LEU A 29 12.863 7.170 -1.808 1.00100.00 C ATOM 396 CD1 LEU A 29 12.473 6.199 -0.698 1.00100.00 C ATOM 397 CD2 LEU A 29 13.403 8.464 -1.199 1.00100.00 C ATOM 0 H LEU A 29 14.519 4.091 -2.435 1.00100.00 H new ATOM 0 HA LEU A 29 12.255 5.432 -3.583 1.00100.00 H new ATOM 0 HB2 LEU A 29 14.777 6.241 -2.163 1.00100.00 H new ATOM 0 HB3 LEU A 29 14.269 7.335 -3.435 1.00100.00 H new ATOM 0 HG LEU A 29 11.968 7.378 -2.395 1.00100.00 H new ATOM 0 HD11 LEU A 29 11.724 6.663 -0.055 1.00100.00 H new ATOM 0 HD12 LEU A 29 12.061 5.290 -1.137 1.00100.00 H new ATOM 0 HD13 LEU A 29 13.354 5.949 -0.107 1.00100.00 H new ATOM 0 HD21 LEU A 29 12.655 8.892 -0.532 1.00100.00 H new ATOM 0 HD22 LEU A 29 14.311 8.250 -0.635 1.00100.00 H new ATOM 0 HD23 LEU A 29 13.629 9.174 -1.995 1.00100.00 H new ATOM 409 N GLN A 30 14.291 4.325 -5.533 1.00100.00 N ATOM 410 CA GLN A 30 14.830 4.286 -6.868 1.00100.00 C ATOM 411 C GLN A 30 13.855 4.717 -7.916 1.00100.00 C ATOM 412 O GLN A 30 14.241 5.409 -8.856 1.00100.00 O ATOM 413 CB GLN A 30 15.475 2.937 -7.238 1.00100.00 C ATOM 414 CG GLN A 30 16.606 2.603 -6.265 1.00100.00 C ATOM 415 CD GLN A 30 17.678 3.685 -6.281 1.00100.00 C ATOM 416 OE1 GLN A 30 18.320 3.909 -7.305 1.00100.00 O ATOM 417 NE2 GLN A 30 17.866 4.360 -5.145 1.00100.00 N ATOM 0 H GLN A 30 14.266 3.414 -5.074 1.00100.00 H new ATOM 0 HA GLN A 30 15.631 5.025 -6.849 1.00100.00 H new ATOM 0 HB2 GLN A 30 14.723 2.149 -7.216 1.00100.00 H new ATOM 0 HB3 GLN A 30 15.863 2.979 -8.256 1.00100.00 H new ATOM 0 HG2 GLN A 30 16.204 2.499 -5.257 1.00100.00 H new ATOM 0 HG3 GLN A 30 17.049 1.644 -6.532 1.00100.00 H new ATOM 0 HE21 GLN A 30 17.308 4.137 -4.321 1.00100.00 H new ATOM 0 HE22 GLN A 30 18.568 5.099 -5.101 1.00100.00 H new ATOM 426 N TYR A 31 12.572 4.324 -7.759 1.00100.00 N ATOM 427 CA TYR A 31 11.505 4.666 -8.663 1.00100.00 C ATOM 428 C TYR A 31 11.316 6.166 -8.699 1.00100.00 C ATOM 429 O TYR A 31 11.139 6.725 -9.780 1.00100.00 O ATOM 430 CB TYR A 31 10.179 3.981 -8.228 1.00100.00 C ATOM 431 CG TYR A 31 8.993 4.357 -9.086 1.00100.00 C ATOM 432 CD1 TYR A 31 8.810 3.740 -10.331 1.00100.00 C ATOM 433 CD2 TYR A 31 8.082 5.322 -8.635 1.00100.00 C ATOM 434 CE1 TYR A 31 7.711 4.085 -11.130 1.00100.00 C ATOM 435 CE2 TYR A 31 6.980 5.672 -9.428 1.00100.00 C ATOM 436 CZ TYR A 31 6.791 5.053 -10.680 1.00100.00 C ATOM 437 OH TYR A 31 5.719 5.389 -11.453 1.00100.00 O ATOM 0 H TYR A 31 12.265 3.748 -6.975 1.00100.00 H new ATOM 0 HA TYR A 31 11.772 4.313 -9.659 1.00100.00 H new ATOM 0 HB2 TYR A 31 10.311 2.900 -8.260 1.00100.00 H new ATOM 0 HB3 TYR A 31 9.966 4.246 -7.192 1.00100.00 H new ATOM 0 HD1 TYR A 31 9.516 2.999 -10.675 1.00100.00 H new ATOM 0 HD2 TYR A 31 8.229 5.796 -7.676 1.00100.00 H new ATOM 0 HE1 TYR A 31 7.570 3.609 -12.089 1.00100.00 H new ATOM 0 HE2 TYR A 31 6.277 6.415 -9.080 1.00100.00 H new ATOM 0 HH TYR A 31 5.185 6.070 -10.993 1.00100.00 H new ATOM 447 N ARG A 32 11.367 6.830 -7.515 1.00100.00 N ATOM 448 CA ARG A 32 11.194 8.259 -7.376 1.00100.00 C ATOM 449 C ARG A 32 12.285 9.007 -8.087 1.00100.00 C ATOM 450 O ARG A 32 12.021 10.031 -8.715 1.00100.00 O ATOM 451 CB ARG A 32 11.185 8.740 -5.916 1.00100.00 C ATOM 452 CG ARG A 32 10.000 8.106 -5.192 1.00100.00 C ATOM 453 CD ARG A 32 9.827 8.734 -3.812 1.00100.00 C ATOM 454 NE ARG A 32 8.850 7.980 -3.026 1.00100.00 N ATOM 455 CZ ARG A 32 8.456 8.327 -1.793 1.00100.00 C ATOM 456 NH1 ARG A 32 8.920 9.448 -1.222 1.00100.00 N1+ ATOM 457 NH2 ARG A 32 7.595 7.547 -1.128 1.00100.00 N ATOM 0 H ARG A 32 11.534 6.358 -6.627 1.00100.00 H new ATOM 0 HA ARG A 32 10.219 8.465 -7.817 1.00100.00 H new ATOM 0 HB2 ARG A 32 12.118 8.466 -5.423 1.00100.00 H new ATOM 0 HB3 ARG A 32 11.112 9.827 -5.878 1.00100.00 H new ATOM 0 HG2 ARG A 32 9.091 8.243 -5.778 1.00100.00 H new ATOM 0 HG3 ARG A 32 10.157 7.032 -5.093 1.00100.00 H new ATOM 0 HD2 ARG A 32 10.785 8.753 -3.292 1.00100.00 H new ATOM 0 HD3 ARG A 32 9.500 9.769 -3.915 1.00100.00 H new ATOM 0 HE ARG A 32 8.445 7.141 -3.441 1.00100.00 H new ATOM 0 HH11 ARG A 32 9.577 10.043 -1.726 1.00100.00 H new ATOM 0 HH12 ARG A 32 8.616 9.706 -0.283 1.00100.00 H new ATOM 0 HH21 ARG A 32 7.242 6.693 -1.560 1.00100.00 H new ATOM 0 HH22 ARG A 32 7.292 7.807 -0.189 1.00100.00 H new ATOM 471 N ASN A 33 13.538 8.501 -7.997 1.00100.00 N ATOM 472 CA ASN A 33 14.685 9.101 -8.636 1.00100.00 C ATOM 473 C ASN A 33 14.572 8.964 -10.130 1.00100.00 C ATOM 474 O ASN A 33 13.946 8.034 -10.646 1.00100.00 O ATOM 475 CB ASN A 33 16.034 8.464 -8.233 1.00100.00 C ATOM 476 CG ASN A 33 16.278 8.626 -6.737 1.00100.00 C ATOM 477 OD1 ASN A 33 16.210 9.735 -6.213 1.00100.00 O ATOM 478 ND2 ASN A 33 16.564 7.517 -6.049 1.00100.00 N ATOM 0 H ASN A 33 13.760 7.657 -7.469 1.00100.00 H new ATOM 0 HA ASN A 33 14.681 10.141 -8.308 1.00100.00 H new ATOM 0 HB2 ASN A 33 16.035 7.406 -8.495 1.00100.00 H new ATOM 0 HB3 ASN A 33 16.845 8.932 -8.792 1.00100.00 H new ATOM 0 HD21 ASN A 33 16.737 7.570 -5.045 1.00100.00 H new ATOM 0 HD22 ASN A 33 16.610 6.617 -6.528 1.00100.00 H new ATOM 485 N GLY A 34 15.200 9.915 -10.857 1.00100.00 N ATOM 486 CA GLY A 34 15.174 9.935 -12.295 1.00100.00 C ATOM 487 C GLY A 34 14.055 10.783 -12.831 1.00100.00 C ATOM 488 O GLY A 34 13.825 10.790 -14.041 1.00100.00 O ATOM 0 H GLY A 34 15.732 10.680 -10.442 1.00100.00 H new ATOM 0 HA2 GLY A 34 16.125 10.314 -12.669 1.00100.00 H new ATOM 0 HA3 GLY A 34 15.067 8.917 -12.669 1.00100.00 H new ATOM 492 N PHE A 35 13.329 11.498 -11.941 1.00100.00 N ATOM 493 CA PHE A 35 12.261 12.380 -12.324 1.00100.00 C ATOM 494 C PHE A 35 12.733 13.795 -12.234 1.00100.00 C ATOM 495 O PHE A 35 13.531 14.157 -11.365 1.00100.00 O ATOM 496 CB PHE A 35 10.920 12.207 -11.579 1.00100.00 C ATOM 497 CG PHE A 35 10.144 11.010 -12.078 1.00100.00 C ATOM 498 CD1 PHE A 35 9.265 11.161 -13.159 1.00100.00 C ATOM 499 CD2 PHE A 35 10.316 9.748 -11.492 1.00100.00 C ATOM 500 CE1 PHE A 35 8.549 10.060 -13.645 1.00100.00 C ATOM 501 CE2 PHE A 35 9.595 8.647 -11.973 1.00100.00 C ATOM 502 CZ PHE A 35 8.711 8.802 -13.048 1.00100.00 C ATOM 0 H PHE A 35 13.489 11.462 -10.934 1.00100.00 H new ATOM 0 HA PHE A 35 12.020 12.100 -13.349 1.00100.00 H new ATOM 0 HB2 PHE A 35 11.110 12.096 -10.511 1.00100.00 H new ATOM 0 HB3 PHE A 35 10.318 13.107 -11.704 1.00100.00 H new ATOM 0 HD1 PHE A 35 9.139 12.130 -13.619 1.00100.00 H new ATOM 0 HD2 PHE A 35 11.005 9.624 -10.669 1.00100.00 H new ATOM 0 HE1 PHE A 35 7.873 10.180 -14.479 1.00100.00 H new ATOM 0 HE2 PHE A 35 9.721 7.678 -11.514 1.00100.00 H new ATOM 0 HZ PHE A 35 8.155 7.953 -13.417 1.00100.00 H new ATOM 512 N TYR A 36 12.228 14.616 -13.180 1.00100.00 N ATOM 513 CA TYR A 36 12.569 16.000 -13.347 1.00100.00 C ATOM 514 C TYR A 36 12.260 16.854 -12.145 1.00100.00 C ATOM 515 O TYR A 36 13.151 17.577 -11.694 1.00100.00 O ATOM 516 CB TYR A 36 11.848 16.499 -14.631 1.00100.00 C ATOM 517 CG TYR A 36 12.037 17.971 -14.909 1.00100.00 C ATOM 518 CD1 TYR A 36 13.327 18.501 -15.058 1.00100.00 C ATOM 519 CD2 TYR A 36 10.917 18.806 -15.020 1.00100.00 C ATOM 520 CE1 TYR A 36 13.499 19.867 -15.324 1.00100.00 C ATOM 521 CE2 TYR A 36 11.080 20.170 -15.286 1.00100.00 C ATOM 522 CZ TYR A 36 12.374 20.708 -15.441 1.00100.00 C ATOM 523 OH TYR A 36 12.533 22.037 -15.701 1.00100.00 O ATOM 0 H TYR A 36 11.544 14.295 -13.865 1.00100.00 H new ATOM 0 HA TYR A 36 13.650 16.091 -13.452 1.00100.00 H new ATOM 0 HB2 TYR A 36 12.213 15.929 -15.485 1.00100.00 H new ATOM 0 HB3 TYR A 36 10.782 16.291 -14.541 1.00100.00 H new ATOM 0 HD1 TYR A 36 14.189 17.856 -14.968 1.00100.00 H new ATOM 0 HD2 TYR A 36 9.925 18.396 -14.900 1.00100.00 H new ATOM 0 HE1 TYR A 36 14.493 20.274 -15.439 1.00100.00 H new ATOM 0 HE2 TYR A 36 10.215 20.811 -15.373 1.00100.00 H new ATOM 0 HH TYR A 36 11.654 22.468 -15.750 1.00100.00 H new ATOM 533 N LEU A 37 11.035 16.766 -11.577 1.00100.00 N ATOM 534 CA LEU A 37 10.702 17.549 -10.415 1.00100.00 C ATOM 535 C LEU A 37 10.049 16.690 -9.393 1.00100.00 C ATOM 536 O LEU A 37 9.047 16.031 -9.670 1.00100.00 O ATOM 537 CB LEU A 37 9.735 18.729 -10.662 1.00100.00 C ATOM 538 CG LEU A 37 10.329 19.800 -11.577 1.00100.00 C ATOM 539 CD1 LEU A 37 9.251 20.838 -11.892 1.00100.00 C ATOM 540 CD2 LEU A 37 11.507 20.502 -10.903 1.00100.00 C ATOM 0 H LEU A 37 10.285 16.163 -11.915 1.00100.00 H new ATOM 0 HA LEU A 37 11.659 17.960 -10.095 1.00100.00 H new ATOM 0 HB2 LEU A 37 8.813 18.351 -11.104 1.00100.00 H new ATOM 0 HB3 LEU A 37 9.469 19.181 -9.706 1.00100.00 H new ATOM 0 HG LEU A 37 10.682 19.321 -12.490 1.00100.00 H new ATOM 0 HD11 LEU A 37 9.665 21.607 -12.544 1.00100.00 H new ATOM 0 HD12 LEU A 37 8.413 20.352 -12.391 1.00100.00 H new ATOM 0 HD13 LEU A 37 8.906 21.296 -10.965 1.00100.00 H new ATOM 0 HD21 LEU A 37 11.912 21.259 -11.574 1.00100.00 H new ATOM 0 HD22 LEU A 37 11.169 20.977 -9.982 1.00100.00 H new ATOM 0 HD23 LEU A 37 12.282 19.771 -10.671 1.00100.00 H new ATOM 552 N LEU A 38 10.620 16.699 -8.173 1.00100.00 N ATOM 553 CA LEU A 38 10.127 15.969 -7.029 1.00100.00 C ATOM 554 C LEU A 38 8.806 16.520 -6.588 1.00100.00 C ATOM 555 O LEU A 38 7.907 15.777 -6.201 1.00100.00 O ATOM 556 CB LEU A 38 11.091 15.998 -5.833 1.00100.00 C ATOM 557 CG LEU A 38 12.392 15.238 -6.102 1.00100.00 C ATOM 558 CD1 LEU A 38 13.307 15.393 -4.886 1.00100.00 C ATOM 559 CD2 LEU A 38 12.127 13.749 -6.329 1.00100.00 C ATOM 0 H LEU A 38 11.462 17.237 -7.969 1.00100.00 H new ATOM 0 HA LEU A 38 10.026 14.934 -7.355 1.00100.00 H new ATOM 0 HB2 LEU A 38 11.325 17.033 -5.586 1.00100.00 H new ATOM 0 HB3 LEU A 38 10.596 15.566 -4.963 1.00100.00 H new ATOM 0 HG LEU A 38 12.856 15.648 -6.999 1.00100.00 H new ATOM 0 HD11 LEU A 38 14.240 14.857 -5.062 1.00100.00 H new ATOM 0 HD12 LEU A 38 13.521 16.449 -4.724 1.00100.00 H new ATOM 0 HD13 LEU A 38 12.813 14.983 -4.005 1.00100.00 H new ATOM 0 HD21 LEU A 38 13.070 13.236 -6.518 1.00100.00 H new ATOM 0 HD22 LEU A 38 11.654 13.325 -5.444 1.00100.00 H new ATOM 0 HD23 LEU A 38 11.468 13.624 -7.188 1.00100.00 H new ATOM 571 N LYS A 39 8.684 17.864 -6.665 1.00100.00 N ATOM 572 CA LYS A 39 7.537 18.649 -6.288 1.00100.00 C ATOM 573 C LYS A 39 6.313 18.332 -7.110 1.00100.00 C ATOM 574 O LYS A 39 5.200 18.541 -6.625 1.00100.00 O ATOM 575 CB LYS A 39 7.834 20.153 -6.455 1.00100.00 C ATOM 576 CG LYS A 39 8.948 20.610 -5.515 1.00100.00 C ATOM 577 CD LYS A 39 9.154 22.113 -5.693 1.00100.00 C ATOM 578 CE LYS A 39 10.234 22.607 -4.735 1.00100.00 C ATOM 579 NZ LYS A 39 10.452 24.054 -4.890 1.00100.00 N1+ ATOM 0 H LYS A 39 9.444 18.445 -7.017 1.00100.00 H new ATOM 0 HA LYS A 39 7.335 18.399 -5.247 1.00100.00 H new ATOM 0 HB2 LYS A 39 8.121 20.356 -7.487 1.00100.00 H new ATOM 0 HB3 LYS A 39 6.930 20.728 -6.256 1.00100.00 H new ATOM 0 HG2 LYS A 39 8.686 20.384 -4.481 1.00100.00 H new ATOM 0 HG3 LYS A 39 9.871 20.074 -5.734 1.00100.00 H new ATOM 0 HD2 LYS A 39 9.441 22.330 -6.722 1.00100.00 H new ATOM 0 HD3 LYS A 39 8.220 22.642 -5.505 1.00100.00 H new ATOM 0 HE2 LYS A 39 9.943 22.387 -3.708 1.00100.00 H new ATOM 0 HE3 LYS A 39 11.165 22.073 -4.924 1.00100.00 H new ATOM 0 HZ1 LYS A 39 11.191 24.367 -4.228 1.00100.00 H new ATOM 0 HZ2 LYS A 39 10.752 24.257 -5.865 1.00100.00 H new ATOM 0 HZ3 LYS A 39 9.568 24.562 -4.687 1.00100.00 H new ATOM 593 N TYR A 40 6.491 17.813 -8.356 1.00100.00 N ATOM 594 CA TYR A 40 5.410 17.492 -9.258 1.00100.00 C ATOM 595 C TYR A 40 4.546 16.423 -8.633 1.00100.00 C ATOM 596 O TYR A 40 5.044 15.406 -8.146 1.00100.00 O ATOM 597 CB TYR A 40 5.974 17.096 -10.643 1.00100.00 C ATOM 598 CG TYR A 40 4.907 16.865 -11.682 1.00100.00 C ATOM 599 CD1 TYR A 40 4.184 17.955 -12.182 1.00100.00 C ATOM 600 CD2 TYR A 40 4.650 15.571 -12.157 1.00100.00 C ATOM 601 CE1 TYR A 40 3.191 17.758 -13.148 1.00100.00 C ATOM 602 CE2 TYR A 40 3.674 15.368 -13.142 1.00100.00 C ATOM 603 CZ TYR A 40 2.941 16.463 -13.643 1.00100.00 C ATOM 604 OH TYR A 40 1.999 16.272 -14.611 1.00100.00 O ATOM 0 H TYR A 40 7.413 17.612 -8.744 1.00100.00 H new ATOM 0 HA TYR A 40 4.775 18.362 -9.426 1.00100.00 H new ATOM 0 HB2 TYR A 40 6.645 17.881 -10.991 1.00100.00 H new ATOM 0 HB3 TYR A 40 6.570 16.190 -10.538 1.00100.00 H new ATOM 0 HD1 TYR A 40 4.393 18.951 -11.821 1.00100.00 H new ATOM 0 HD2 TYR A 40 5.204 14.731 -11.764 1.00100.00 H new ATOM 0 HE1 TYR A 40 2.617 18.597 -13.513 1.00100.00 H new ATOM 0 HE2 TYR A 40 3.484 14.373 -13.517 1.00100.00 H new ATOM 0 HH TYR A 40 1.953 15.320 -14.840 1.00100.00 H new ATOM 614 N ASP A 41 3.212 16.661 -8.654 1.00100.00 N ATOM 615 CA ASP A 41 2.259 15.775 -8.041 1.00100.00 C ATOM 616 C ASP A 41 1.899 14.618 -8.923 1.00100.00 C ATOM 617 O ASP A 41 1.458 14.771 -10.063 1.00100.00 O ATOM 618 CB ASP A 41 0.983 16.519 -7.559 1.00100.00 C ATOM 619 CG ASP A 41 0.020 15.553 -6.883 1.00100.00 C ATOM 620 OD1 ASP A 41 0.423 14.982 -5.846 1.00100.00 O ATOM 621 OD2 ASP A 41 -1.098 15.396 -7.420 1.00100.00 O1- ATOM 0 H ASP A 41 2.793 17.476 -9.101 1.00100.00 H new ATOM 0 HA ASP A 41 2.758 15.371 -7.160 1.00100.00 H new ATOM 0 HB2 ASP A 41 1.259 17.312 -6.863 1.00100.00 H new ATOM 0 HB3 ASP A 41 0.492 16.996 -8.407 1.00100.00 H new ATOM 626 N GLU A 42 2.117 13.422 -8.346 1.00100.00 N ATOM 627 CA GLU A 42 1.878 12.119 -8.907 1.00100.00 C ATOM 628 C GLU A 42 1.511 11.186 -7.778 1.00100.00 C ATOM 629 O GLU A 42 1.280 11.619 -6.646 1.00100.00 O ATOM 630 CB GLU A 42 3.081 11.535 -9.691 1.00100.00 C ATOM 631 CG GLU A 42 3.302 12.292 -11.000 1.00100.00 C ATOM 632 CD GLU A 42 2.121 12.105 -11.945 1.00100.00 C ATOM 633 OE1 GLU A 42 1.808 10.930 -12.236 1.00100.00 O ATOM 634 OE2 GLU A 42 1.551 13.138 -12.360 1.00100.00 O1- ATOM 0 H GLU A 42 2.495 13.359 -7.401 1.00100.00 H new ATOM 0 HA GLU A 42 1.073 12.221 -9.635 1.00100.00 H new ATOM 0 HB2 GLU A 42 3.981 11.591 -9.078 1.00100.00 H new ATOM 0 HB3 GLU A 42 2.904 10.480 -9.902 1.00100.00 H new ATOM 0 HG2 GLU A 42 3.441 13.353 -10.792 1.00100.00 H new ATOM 0 HG3 GLU A 42 4.215 11.939 -11.479 1.00100.00 H new ATOM 641 N GLU A 43 1.415 9.869 -8.084 1.00100.00 N ATOM 642 CA GLU A 43 1.064 8.822 -7.153 1.00100.00 C ATOM 643 C GLU A 43 2.041 8.735 -6.012 1.00100.00 C ATOM 644 O GLU A 43 1.628 8.629 -4.855 1.00100.00 O ATOM 645 CB GLU A 43 1.076 7.438 -7.828 1.00100.00 C ATOM 646 CG GLU A 43 0.066 7.367 -8.972 1.00100.00 C ATOM 647 CD GLU A 43 0.009 5.967 -9.577 1.00100.00 C ATOM 648 OE1 GLU A 43 0.958 5.191 -9.331 1.00100.00 O ATOM 649 OE2 GLU A 43 -0.992 5.699 -10.277 1.00100.00 O1- ATOM 0 H GLU A 43 1.590 9.517 -9.025 1.00100.00 H new ATOM 0 HA GLU A 43 0.067 9.079 -6.794 1.00100.00 H new ATOM 0 HB2 GLU A 43 2.075 7.226 -8.209 1.00100.00 H new ATOM 0 HB3 GLU A 43 0.847 6.669 -7.090 1.00100.00 H new ATOM 0 HG2 GLU A 43 -0.922 7.647 -8.606 1.00100.00 H new ATOM 0 HG3 GLU A 43 0.336 8.088 -9.744 1.00100.00 H new ATOM 656 N TRP A 44 3.359 8.823 -6.318 1.00100.00 N ATOM 657 CA TRP A 44 4.399 8.745 -5.323 1.00100.00 C ATOM 658 C TRP A 44 4.398 9.975 -4.454 1.00100.00 C ATOM 659 O TRP A 44 3.918 11.037 -4.860 1.00100.00 O ATOM 660 CB TRP A 44 5.832 8.512 -5.885 1.00100.00 C ATOM 661 CG TRP A 44 6.454 9.654 -6.621 1.00100.00 C ATOM 662 CD1 TRP A 44 7.214 10.620 -6.062 1.00100.00 C ATOM 663 CD2 TRP A 44 6.430 9.944 -8.050 1.00100.00 C ATOM 664 NE1 TRP A 44 7.653 11.490 -7.038 1.00100.00 N ATOM 665 CE2 TRP A 44 7.205 11.113 -8.288 1.00100.00 C ATOM 666 CE3 TRP A 44 5.839 9.330 -9.169 1.00100.00 C ATOM 667 CZ2 TRP A 44 7.386 11.645 -9.569 1.00100.00 C ATOM 668 CZ3 TRP A 44 6.015 9.855 -10.458 1.00100.00 C ATOM 669 CH2 TRP A 44 6.784 11.009 -10.660 1.00100.00 C ATOM 0 H TRP A 44 3.706 8.950 -7.269 1.00100.00 H new ATOM 0 HA TRP A 44 4.155 7.857 -4.739 1.00100.00 H new ATOM 0 HB2 TRP A 44 6.485 8.246 -5.054 1.00100.00 H new ATOM 0 HB3 TRP A 44 5.800 7.652 -6.554 1.00100.00 H new ATOM 0 HD1 TRP A 44 7.443 10.699 -5.010 1.00100.00 H new ATOM 0 HE1 TRP A 44 8.235 12.308 -6.859 1.00100.00 H new ATOM 0 HE3 TRP A 44 5.241 8.441 -9.034 1.00100.00 H new ATOM 0 HZ2 TRP A 44 7.982 12.534 -9.714 1.00100.00 H new ATOM 0 HZ3 TRP A 44 5.553 9.365 -11.303 1.00100.00 H new ATOM 0 HH2 TRP A 44 6.912 11.407 -11.656 1.00100.00 H new ATOM 680 N TYR A 45 4.955 9.833 -3.229 1.00100.00 N ATOM 681 CA TYR A 45 5.013 10.909 -2.270 1.00100.00 C ATOM 682 C TYR A 45 6.137 11.845 -2.649 1.00100.00 C ATOM 683 O TYR A 45 7.275 11.390 -2.788 1.00100.00 O ATOM 684 CB TYR A 45 5.315 10.436 -0.827 1.00100.00 C ATOM 685 CG TYR A 45 4.235 9.538 -0.270 1.00100.00 C ATOM 686 CD1 TYR A 45 4.304 8.151 -0.463 1.00100.00 C ATOM 687 CD2 TYR A 45 3.152 10.098 0.424 1.00100.00 C ATOM 688 CE1 TYR A 45 3.300 7.318 0.047 1.00100.00 C ATOM 689 CE2 TYR A 45 2.140 9.272 0.932 1.00100.00 C ATOM 690 CZ TYR A 45 2.210 7.876 0.746 1.00100.00 C ATOM 691 OH TYR A 45 1.226 7.068 1.235 1.00100.00 O ATOM 0 H TYR A 45 5.370 8.962 -2.899 1.00100.00 H new ATOM 0 HA TYR A 45 4.031 11.381 -2.288 1.00100.00 H new ATOM 0 HB2 TYR A 45 6.266 9.904 -0.815 1.00100.00 H new ATOM 0 HB3 TYR A 45 5.428 11.306 -0.180 1.00100.00 H new ATOM 0 HD1 TYR A 45 5.134 7.724 -1.006 1.00100.00 H new ATOM 0 HD2 TYR A 45 3.098 11.167 0.567 1.00100.00 H new ATOM 0 HE1 TYR A 45 3.361 6.249 -0.095 1.00100.00 H new ATOM 0 HE2 TYR A 45 1.307 9.705 1.466 1.00100.00 H new ATOM 0 HH TYR A 45 0.551 7.613 1.691 1.00100.00 H new ATOM 701 N PRO A 46 5.844 13.172 -2.827 1.00100.00 N ATOM 702 CA PRO A 46 6.820 14.187 -3.188 1.00100.00 C ATOM 703 C PRO A 46 7.945 14.321 -2.198 1.00100.00 C ATOM 704 O PRO A 46 9.072 14.587 -2.622 1.00100.00 O ATOM 705 CB PRO A 46 6.028 15.485 -3.330 1.00100.00 C ATOM 706 CG PRO A 46 4.620 15.009 -3.668 1.00100.00 C ATOM 707 CD PRO A 46 4.503 13.723 -2.855 1.00100.00 C ATOM 0 HA PRO A 46 7.324 13.913 -4.115 1.00100.00 H new ATOM 0 HB2 PRO A 46 6.044 16.068 -2.409 1.00100.00 H new ATOM 0 HB3 PRO A 46 6.436 16.120 -4.116 1.00100.00 H new ATOM 0 HG2 PRO A 46 3.864 15.741 -3.381 1.00100.00 H new ATOM 0 HG3 PRO A 46 4.498 14.827 -4.736 1.00100.00 H new ATOM 0 HD2 PRO A 46 4.138 13.925 -1.848 1.00100.00 H new ATOM 0 HD3 PRO A 46 3.800 13.028 -3.315 1.00100.00 H new ATOM 715 N GLU A 47 7.646 14.161 -0.884 1.00100.00 N ATOM 716 CA GLU A 47 8.639 14.252 0.154 1.00100.00 C ATOM 717 C GLU A 47 9.347 12.935 0.140 1.00100.00 C ATOM 718 O GLU A 47 8.709 11.881 0.208 1.00100.00 O ATOM 719 CB GLU A 47 8.047 14.439 1.568 1.00100.00 C ATOM 720 CG GLU A 47 9.182 14.602 2.582 1.00100.00 C ATOM 721 CD GLU A 47 8.661 14.797 4.001 1.00100.00 C ATOM 722 OE1 GLU A 47 7.430 14.687 4.188 1.00100.00 O ATOM 723 OE2 GLU A 47 9.513 15.053 4.880 1.00100.00 O1- ATOM 0 H GLU A 47 6.705 13.967 -0.541 1.00100.00 H new ATOM 0 HA GLU A 47 9.271 15.119 -0.041 1.00100.00 H new ATOM 0 HB2 GLU A 47 7.398 15.315 1.589 1.00100.00 H new ATOM 0 HB3 GLU A 47 7.431 13.580 1.832 1.00100.00 H new ATOM 0 HG2 GLU A 47 9.825 13.722 2.550 1.00100.00 H new ATOM 0 HG3 GLU A 47 9.798 15.457 2.302 1.00100.00 H new ATOM 730 N GLU A 48 10.693 12.989 0.057 1.00100.00 N ATOM 731 CA GLU A 48 11.486 11.798 0.014 1.00100.00 C ATOM 732 C GLU A 48 12.029 11.503 1.379 1.00100.00 C ATOM 733 O GLU A 48 12.596 12.363 2.056 1.00100.00 O ATOM 734 CB GLU A 48 12.632 11.856 -1.003 1.00100.00 C ATOM 735 CG GLU A 48 12.131 11.751 -2.439 1.00100.00 C ATOM 736 CD GLU A 48 13.311 11.774 -3.401 1.00100.00 C ATOM 737 OE1 GLU A 48 14.155 12.684 -3.247 1.00100.00 O ATOM 738 OE2 GLU A 48 13.354 10.873 -4.268 1.00100.00 O1- ATOM 0 H GLU A 48 11.229 13.856 0.020 1.00100.00 H new ATOM 0 HA GLU A 48 10.825 10.997 -0.317 1.00100.00 H new ATOM 0 HB2 GLU A 48 13.180 12.790 -0.878 1.00100.00 H new ATOM 0 HB3 GLU A 48 13.334 11.046 -0.804 1.00100.00 H new ATOM 0 HG2 GLU A 48 11.562 10.830 -2.569 1.00100.00 H new ATOM 0 HG3 GLU A 48 11.455 12.577 -2.659 1.00100.00 H new ATOM 745 N LEU A 49 11.823 10.237 1.801 1.00100.00 N ATOM 746 CA LEU A 49 12.206 9.707 3.084 1.00100.00 C ATOM 747 C LEU A 49 13.689 9.742 3.332 1.00100.00 C ATOM 748 O LEU A 49 14.127 10.199 4.389 1.00100.00 O ATOM 749 CB LEU A 49 11.749 8.236 3.195 1.00100.00 C ATOM 750 CG LEU A 49 10.248 8.083 2.924 1.00100.00 C ATOM 751 CD1 LEU A 49 9.873 6.605 3.019 1.00100.00 C ATOM 752 CD2 LEU A 49 9.424 8.879 3.935 1.00100.00 C ATOM 0 H LEU A 49 11.362 9.542 1.214 1.00100.00 H new ATOM 0 HA LEU A 49 11.725 10.344 3.826 1.00100.00 H new ATOM 0 HB2 LEU A 49 12.310 7.627 2.486 1.00100.00 H new ATOM 0 HB3 LEU A 49 11.979 7.858 4.191 1.00100.00 H new ATOM 0 HG LEU A 49 10.033 8.467 1.927 1.00100.00 H new ATOM 0 HD11 LEU A 49 8.806 6.487 2.827 1.00100.00 H new ATOM 0 HD12 LEU A 49 10.439 6.038 2.280 1.00100.00 H new ATOM 0 HD13 LEU A 49 10.105 6.234 4.017 1.00100.00 H new ATOM 0 HD21 LEU A 49 8.363 8.753 3.720 1.00100.00 H new ATOM 0 HD22 LEU A 49 9.635 8.518 4.941 1.00100.00 H new ATOM 0 HD23 LEU A 49 9.685 9.935 3.866 1.00100.00 H new ATOM 764 N LEU A 50 14.486 9.284 2.340 1.00100.00 N ATOM 765 CA LEU A 50 15.923 9.234 2.427 1.00100.00 C ATOM 766 C LEU A 50 16.560 10.585 2.492 1.00100.00 C ATOM 767 O LEU A 50 17.490 10.794 3.273 1.00100.00 O ATOM 768 CB LEU A 50 16.570 8.448 1.271 1.00100.00 C ATOM 769 CG LEU A 50 16.072 7.002 1.219 1.00100.00 C ATOM 770 CD1 LEU A 50 16.712 6.306 0.019 1.00100.00 C ATOM 771 CD2 LEU A 50 16.441 6.240 2.492 1.00100.00 C ATOM 0 H LEU A 50 14.122 8.939 1.452 1.00100.00 H new ATOM 0 HA LEU A 50 16.108 8.711 3.365 1.00100.00 H new ATOM 0 HB2 LEU A 50 16.348 8.943 0.326 1.00100.00 H new ATOM 0 HB3 LEU A 50 17.654 8.455 1.388 1.00100.00 H new ATOM 0 HG LEU A 50 14.986 7.012 1.130 1.00100.00 H new ATOM 0 HD11 LEU A 50 16.366 5.274 -0.030 1.00100.00 H new ATOM 0 HD12 LEU A 50 16.431 6.827 -0.896 1.00100.00 H new ATOM 0 HD13 LEU A 50 17.797 6.320 0.126 1.00100.00 H new ATOM 0 HD21 LEU A 50 16.073 5.216 2.423 1.00100.00 H new ATOM 0 HD22 LEU A 50 17.525 6.229 2.608 1.00100.00 H new ATOM 0 HD23 LEU A 50 15.989 6.731 3.354 1.00100.00 H new ATOM 783 N THR A 51 16.047 11.542 1.690 1.00100.00 N ATOM 784 CA THR A 51 16.588 12.872 1.630 1.00100.00 C ATOM 785 C THR A 51 15.998 13.709 2.736 1.00100.00 C ATOM 786 O THR A 51 15.032 14.456 2.544 1.00100.00 O ATOM 787 CB THR A 51 16.372 13.504 0.273 1.00100.00 C ATOM 788 OG1 THR A 51 15.004 13.504 -0.030 1.00100.00 O ATOM 789 CG2 THR A 51 17.125 12.734 -0.810 1.00100.00 C ATOM 0 H THR A 51 15.247 11.392 1.075 1.00100.00 H new ATOM 0 HA THR A 51 17.667 12.816 1.774 1.00100.00 H new ATOM 0 HB THR A 51 16.749 14.526 0.304 1.00100.00 H new ATOM 0 HG1 THR A 51 14.508 13.933 0.698 1.00100.00 H new ATOM 0 HG21 THR A 51 16.955 13.207 -1.777 1.00100.00 H new ATOM 0 HG22 THR A 51 18.192 12.740 -0.586 1.00100.00 H new ATOM 0 HG23 THR A 51 16.766 11.705 -0.841 1.00100.00 H new ATOM 797 N ASP A 52 16.595 13.587 3.947 1.00100.00 N ATOM 798 CA ASP A 52 16.113 14.331 5.077 1.00100.00 C ATOM 799 C ASP A 52 16.878 15.623 5.094 1.00100.00 C ATOM 800 O ASP A 52 18.075 15.676 5.389 1.00100.00 O ATOM 801 CB ASP A 52 16.296 13.584 6.429 1.00100.00 C ATOM 802 CG ASP A 52 15.848 14.454 7.597 1.00100.00 C ATOM 803 OD1 ASP A 52 14.778 15.085 7.460 1.00100.00 O ATOM 804 OD2 ASP A 52 16.588 14.474 8.605 1.00100.00 O1- ATOM 0 H ASP A 52 17.396 12.985 4.139 1.00100.00 H new ATOM 0 HA ASP A 52 15.039 14.485 4.972 1.00100.00 H new ATOM 0 HB2 ASP A 52 15.720 12.658 6.418 1.00100.00 H new ATOM 0 HB3 ASP A 52 17.342 13.307 6.557 1.00100.00 H new ATOM 809 N GLY A 53 16.158 16.690 4.699 1.00100.00 N ATOM 810 CA GLY A 53 16.638 18.040 4.651 1.00100.00 C ATOM 811 C GLY A 53 17.316 18.394 3.361 1.00100.00 C ATOM 812 O GLY A 53 17.553 19.578 3.116 1.00100.00 O ATOM 0 H GLY A 53 15.187 16.607 4.396 1.00100.00 H new ATOM 0 HA2 GLY A 53 15.801 18.720 4.809 1.00100.00 H new ATOM 0 HA3 GLY A 53 17.336 18.197 5.473 1.00100.00 H new ATOM 816 N GLU A 54 17.645 17.392 2.507 1.00100.00 N ATOM 817 CA GLU A 54 18.288 17.639 1.241 1.00100.00 C ATOM 818 C GLU A 54 17.348 18.313 0.281 1.00100.00 C ATOM 819 O GLU A 54 17.745 19.248 -0.414 1.00100.00 O ATOM 820 CB GLU A 54 18.878 16.370 0.600 1.00100.00 C ATOM 821 CG GLU A 54 19.813 15.653 1.576 1.00100.00 C ATOM 822 CD GLU A 54 20.338 14.346 0.995 1.00100.00 C ATOM 823 OE1 GLU A 54 20.227 14.177 -0.240 1.00100.00 O ATOM 824 OE2 GLU A 54 20.837 13.532 1.801 1.00100.00 O1- ATOM 0 H GLU A 54 17.464 16.406 2.697 1.00100.00 H new ATOM 0 HA GLU A 54 19.124 18.304 1.456 1.00100.00 H new ATOM 0 HB2 GLU A 54 18.072 15.699 0.302 1.00100.00 H new ATOM 0 HB3 GLU A 54 19.424 16.635 -0.306 1.00100.00 H new ATOM 0 HG2 GLU A 54 20.651 16.305 1.822 1.00100.00 H new ATOM 0 HG3 GLU A 54 19.282 15.451 2.506 1.00100.00 H new ATOM 831 N ASP A 55 16.073 17.846 0.251 1.00100.00 N ATOM 832 CA ASP A 55 15.032 18.377 -0.599 1.00100.00 C ATOM 833 C ASP A 55 14.725 19.801 -0.243 1.00100.00 C ATOM 834 O ASP A 55 14.605 20.647 -1.132 1.00100.00 O ATOM 835 CB ASP A 55 13.695 17.605 -0.489 1.00100.00 C ATOM 836 CG ASP A 55 13.775 16.192 -1.063 1.00100.00 C ATOM 837 OD1 ASP A 55 14.756 15.911 -1.785 1.00100.00 O ATOM 838 OD2 ASP A 55 12.835 15.418 -0.778 1.00100.00 O1- ATOM 0 H ASP A 55 15.757 17.074 0.838 1.00100.00 H new ATOM 0 HA ASP A 55 15.425 18.283 -1.611 1.00100.00 H new ATOM 0 HB2 ASP A 55 13.398 17.550 0.558 1.00100.00 H new ATOM 0 HB3 ASP A 55 12.917 18.161 -1.012 1.00100.00 H new ATOM 843 N ASP A 56 14.632 20.075 1.086 1.00100.00 N ATOM 844 CA ASP A 56 14.338 21.357 1.681 1.00100.00 C ATOM 845 C ASP A 56 13.054 21.950 1.124 1.00100.00 C ATOM 846 O ASP A 56 12.977 23.130 0.776 1.00100.00 O ATOM 847 CB ASP A 56 15.544 22.340 1.590 1.00100.00 C ATOM 848 CG ASP A 56 15.279 23.615 2.381 1.00100.00 C ATOM 849 OD1 ASP A 56 14.998 23.484 3.592 1.00100.00 O ATOM 850 OD2 ASP A 56 15.361 24.696 1.759 1.00100.00 O1- ATOM 0 H ASP A 56 14.772 19.350 1.789 1.00100.00 H new ATOM 0 HA ASP A 56 14.169 21.188 2.745 1.00100.00 H new ATOM 0 HB2 ASP A 56 16.442 21.853 1.970 1.00100.00 H new ATOM 0 HB3 ASP A 56 15.735 22.590 0.546 1.00100.00 H new ATOM 855 N VAL A 57 12.014 21.095 0.981 1.00100.00 N ATOM 856 CA VAL A 57 10.724 21.524 0.491 1.00100.00 C ATOM 857 C VAL A 57 9.855 21.615 1.720 1.00100.00 C ATOM 858 O VAL A 57 9.190 22.626 1.953 1.00100.00 O ATOM 859 CB VAL A 57 10.095 20.541 -0.497 1.00100.00 C ATOM 860 CG1 VAL A 57 8.718 21.038 -0.937 1.00100.00 C ATOM 861 CG2 VAL A 57 10.997 20.411 -1.724 1.00100.00 C ATOM 0 H VAL A 57 12.065 20.101 1.205 1.00100.00 H new ATOM 0 HA VAL A 57 10.825 22.464 -0.052 1.00100.00 H new ATOM 0 HB VAL A 57 9.985 19.572 -0.009 1.00100.00 H new ATOM 0 HG11 VAL A 57 8.283 20.328 -1.640 1.00100.00 H new ATOM 0 HG12 VAL A 57 8.069 21.130 -0.066 1.00100.00 H new ATOM 0 HG13 VAL A 57 8.819 22.010 -1.419 1.00100.00 H new ATOM 0 HG21 VAL A 57 10.551 19.711 -2.431 1.00100.00 H new ATOM 0 HG22 VAL A 57 11.107 21.386 -2.200 1.00100.00 H new ATOM 0 HG23 VAL A 57 11.977 20.044 -1.418 1.00100.00 H new ATOM 871 N PHE A 58 9.888 20.547 2.551 1.00100.00 N ATOM 872 CA PHE A 58 9.117 20.452 3.754 1.00100.00 C ATOM 873 C PHE A 58 9.436 21.435 4.829 1.00100.00 C ATOM 874 O PHE A 58 8.506 21.891 5.495 1.00100.00 O ATOM 875 CB PHE A 58 8.886 19.007 4.231 1.00100.00 C ATOM 876 CG PHE A 58 7.716 18.433 3.468 1.00100.00 C ATOM 877 CD1 PHE A 58 7.872 18.052 2.129 1.00100.00 C ATOM 878 CD2 PHE A 58 6.443 18.422 4.057 1.00100.00 C ATOM 879 CE1 PHE A 58 6.755 17.654 1.381 1.00100.00 C ATOM 880 CE2 PHE A 58 5.330 18.014 3.312 1.00100.00 C ATOM 881 CZ PHE A 58 5.486 17.629 1.973 1.00100.00 C ATOM 0 H PHE A 58 10.470 19.728 2.377 1.00100.00 H new ATOM 0 HA PHE A 58 8.132 20.801 3.442 1.00100.00 H new ATOM 0 HB2 PHE A 58 9.779 18.405 4.064 1.00100.00 H new ATOM 0 HB3 PHE A 58 8.685 18.989 5.302 1.00100.00 H new ATOM 0 HD1 PHE A 58 8.851 18.065 1.674 1.00100.00 H new ATOM 0 HD2 PHE A 58 6.321 18.728 5.085 1.00100.00 H new ATOM 0 HE1 PHE A 58 6.873 17.366 0.347 1.00100.00 H new ATOM 0 HE2 PHE A 58 4.351 17.996 3.769 1.00100.00 H new ATOM 0 HZ PHE A 58 4.628 17.313 1.398 1.00100.00 H new ATOM 891 N ASP A 59 10.736 21.775 5.038 1.00100.00 N ATOM 892 CA ASP A 59 11.108 22.746 6.049 1.00100.00 C ATOM 893 C ASP A 59 10.500 24.120 5.748 1.00100.00 C ATOM 894 O ASP A 59 9.904 24.682 6.670 1.00100.00 O ATOM 895 CB ASP A 59 12.643 22.849 6.288 1.00100.00 C ATOM 896 CG ASP A 59 13.199 21.497 6.716 1.00100.00 C ATOM 897 OD1 ASP A 59 12.770 21.023 7.790 1.00100.00 O ATOM 898 OD2 ASP A 59 14.033 20.958 5.957 1.00100.00 O1- ATOM 0 H ASP A 59 11.520 21.385 4.516 1.00100.00 H new ATOM 0 HA ASP A 59 10.688 22.375 6.984 1.00100.00 H new ATOM 0 HB2 ASP A 59 13.139 23.183 5.377 1.00100.00 H new ATOM 0 HB3 ASP A 59 12.850 23.595 7.055 1.00100.00 H new ATOM 903 N PRO A 60 10.575 24.699 4.495 1.00100.00 N ATOM 904 CA PRO A 60 9.955 25.975 4.184 1.00100.00 C ATOM 905 C PRO A 60 8.449 25.902 4.198 1.00100.00 C ATOM 906 O PRO A 60 7.818 26.939 4.408 1.00100.00 O ATOM 907 CB PRO A 60 10.469 26.403 2.811 1.00100.00 C ATOM 908 CG PRO A 60 11.760 25.604 2.661 1.00100.00 C ATOM 909 CD PRO A 60 11.475 24.312 3.425 1.00100.00 C ATOM 0 HA PRO A 60 10.221 26.706 4.948 1.00100.00 H new ATOM 0 HB2 PRO A 60 9.755 26.167 2.022 1.00100.00 H new ATOM 0 HB3 PRO A 60 10.652 27.477 2.766 1.00100.00 H new ATOM 0 HG2 PRO A 60 11.990 25.408 1.614 1.00100.00 H new ATOM 0 HG3 PRO A 60 12.613 26.138 3.080 1.00100.00 H new ATOM 0 HD2 PRO A 60 11.019 23.563 2.777 1.00100.00 H new ATOM 0 HD3 PRO A 60 12.393 23.876 3.820 1.00100.00 H new ATOM 917 N ASP A 61 7.877 24.690 3.959 1.00100.00 N ATOM 918 CA ASP A 61 6.464 24.381 3.918 1.00100.00 C ATOM 919 C ASP A 61 5.725 25.247 2.922 1.00100.00 C ATOM 920 O ASP A 61 4.615 25.729 3.165 1.00100.00 O ATOM 921 CB ASP A 61 5.820 24.410 5.338 1.00100.00 C ATOM 922 CG ASP A 61 4.449 23.746 5.321 1.00100.00 C ATOM 923 OD1 ASP A 61 4.415 22.527 5.043 1.00100.00 O ATOM 924 OD2 ASP A 61 3.463 24.467 5.583 1.00100.00 O1- ATOM 0 H ASP A 61 8.449 23.865 3.781 1.00100.00 H new ATOM 0 HA ASP A 61 6.368 23.356 3.561 1.00100.00 H new ATOM 0 HB2 ASP A 61 6.469 23.897 6.048 1.00100.00 H new ATOM 0 HB3 ASP A 61 5.726 25.441 5.679 1.00100.00 H new ATOM 929 N LEU A 62 6.364 25.459 1.750 1.00100.00 N ATOM 930 CA LEU A 62 5.793 26.252 0.705 1.00100.00 C ATOM 931 C LEU A 62 5.641 25.355 -0.489 1.00100.00 C ATOM 932 O LEU A 62 6.589 24.681 -0.903 1.00100.00 O ATOM 933 CB LEU A 62 6.682 27.473 0.356 1.00100.00 C ATOM 934 CG LEU A 62 6.096 28.279 -0.805 1.00100.00 C ATOM 935 CD1 LEU A 62 4.769 28.924 -0.408 1.00100.00 C ATOM 936 CD2 LEU A 62 7.087 29.369 -1.210 1.00100.00 C ATOM 0 H LEU A 62 7.283 25.076 1.529 1.00100.00 H new ATOM 0 HA LEU A 62 4.832 26.654 1.025 1.00100.00 H new ATOM 0 HB2 LEU A 62 6.782 28.114 1.232 1.00100.00 H new ATOM 0 HB3 LEU A 62 7.684 27.132 0.095 1.00100.00 H new ATOM 0 HG LEU A 62 5.915 27.604 -1.641 1.00100.00 H new ATOM 0 HD11 LEU A 62 4.374 29.491 -1.251 1.00100.00 H new ATOM 0 HD12 LEU A 62 4.057 28.148 -0.127 1.00100.00 H new ATOM 0 HD13 LEU A 62 4.928 29.594 0.437 1.00100.00 H new ATOM 0 HD21 LEU A 62 6.675 29.947 -2.037 1.00100.00 H new ATOM 0 HD22 LEU A 62 7.269 30.029 -0.362 1.00100.00 H new ATOM 0 HD23 LEU A 62 8.026 28.910 -1.520 1.00100.00 H new ATOM 948 N ASP A 63 4.407 25.324 -1.043 1.00100.00 N ATOM 949 CA ASP A 63 4.104 24.527 -2.200 1.00100.00 C ATOM 950 C ASP A 63 3.840 25.552 -3.255 1.00100.00 C ATOM 951 O ASP A 63 2.966 26.412 -3.096 1.00100.00 O ATOM 952 CB ASP A 63 2.829 23.655 -2.033 1.00100.00 C ATOM 953 CG ASP A 63 2.515 22.844 -3.286 1.00100.00 C ATOM 954 OD1 ASP A 63 3.405 22.758 -4.161 1.00100.00 O ATOM 955 OD2 ASP A 63 1.383 22.315 -3.341 1.00100.00 O1- ATOM 0 H ASP A 63 3.614 25.856 -0.685 1.00100.00 H new ATOM 0 HA ASP A 63 4.913 23.828 -2.413 1.00100.00 H new ATOM 0 HB2 ASP A 63 2.962 22.978 -1.189 1.00100.00 H new ATOM 0 HB3 ASP A 63 1.981 24.297 -1.796 1.00100.00 H new ATOM 960 N MET A 64 4.636 25.494 -4.343 1.00100.00 N ATOM 961 CA MET A 64 4.472 26.413 -5.429 1.00100.00 C ATOM 962 C MET A 64 4.028 25.602 -6.600 1.00100.00 C ATOM 963 O MET A 64 4.799 24.841 -7.193 1.00100.00 O ATOM 964 CB MET A 64 5.760 27.177 -5.791 1.00100.00 C ATOM 965 CG MET A 64 6.180 28.066 -4.624 1.00100.00 C ATOM 966 SD MET A 64 7.779 28.880 -4.859 1.00100.00 S ATOM 967 CE MET A 64 8.857 27.442 -4.643 1.00100.00 C ATOM 0 H MET A 64 5.387 24.816 -4.469 1.00100.00 H new ATOM 0 HA MET A 64 3.749 27.176 -5.140 1.00100.00 H new ATOM 0 HB2 MET A 64 6.557 26.472 -6.028 1.00100.00 H new ATOM 0 HB3 MET A 64 5.596 27.784 -6.681 1.00100.00 H new ATOM 0 HG2 MET A 64 5.416 28.827 -4.467 1.00100.00 H new ATOM 0 HG3 MET A 64 6.220 27.463 -3.717 1.00100.00 H new ATOM 0 HE1 MET A 64 9.897 27.747 -4.754 1.00100.00 H new ATOM 0 HE2 MET A 64 8.706 27.020 -3.649 1.00100.00 H new ATOM 0 HE3 MET A 64 8.617 26.691 -5.396 1.00100.00 H new ATOM 977 N GLU A 65 2.756 25.832 -6.987 1.00100.00 N ATOM 978 CA GLU A 65 2.113 25.166 -8.083 1.00100.00 C ATOM 979 C GLU A 65 2.744 25.471 -9.401 1.00100.00 C ATOM 980 O GLU A 65 2.932 24.568 -10.213 1.00100.00 O ATOM 981 CB GLU A 65 0.597 25.416 -8.151 1.00100.00 C ATOM 982 CG GLU A 65 -0.078 24.877 -6.891 1.00100.00 C ATOM 983 CD GLU A 65 -1.595 24.978 -6.990 1.00100.00 C ATOM 984 OE1 GLU A 65 -2.066 25.973 -7.581 1.00100.00 O ATOM 985 OE2 GLU A 65 -2.258 24.053 -6.472 1.00100.00 O1- ATOM 0 H GLU A 65 2.153 26.508 -6.518 1.00100.00 H new ATOM 0 HA GLU A 65 2.259 24.106 -7.875 1.00100.00 H new ATOM 0 HB2 GLU A 65 0.400 26.483 -8.251 1.00100.00 H new ATOM 0 HB3 GLU A 65 0.179 24.931 -9.033 1.00100.00 H new ATOM 0 HG2 GLU A 65 0.210 23.837 -6.738 1.00100.00 H new ATOM 0 HG3 GLU A 65 0.270 25.435 -6.022 1.00100.00 H new ATOM 992 N VAL A 66 3.128 26.752 -9.603 1.00100.00 N ATOM 993 CA VAL A 66 3.740 27.248 -10.812 1.00100.00 C ATOM 994 C VAL A 66 5.054 26.537 -11.056 1.00100.00 C ATOM 995 O VAL A 66 5.311 26.127 -12.188 1.00100.00 O ATOM 996 CB VAL A 66 3.940 28.761 -10.737 1.00100.00 C ATOM 997 CG1 VAL A 66 4.590 29.268 -12.024 1.00100.00 C ATOM 998 CG2 VAL A 66 2.592 29.457 -10.548 1.00100.00 C ATOM 0 H VAL A 66 3.008 27.475 -8.894 1.00100.00 H new ATOM 0 HA VAL A 66 3.075 27.044 -11.651 1.00100.00 H new ATOM 0 HB VAL A 66 4.588 28.985 -9.890 1.00100.00 H new ATOM 0 HG11 VAL A 66 4.728 30.347 -11.961 1.00100.00 H new ATOM 0 HG12 VAL A 66 5.558 28.785 -12.157 1.00100.00 H new ATOM 0 HG13 VAL A 66 3.948 29.034 -12.873 1.00100.00 H new ATOM 0 HG21 VAL A 66 2.743 30.535 -10.495 1.00100.00 H new ATOM 0 HG22 VAL A 66 1.940 29.223 -11.390 1.00100.00 H new ATOM 0 HG23 VAL A 66 2.130 29.110 -9.624 1.00100.00 H new ATOM 1008 N VAL A 67 5.882 26.349 -9.995 1.00100.00 N ATOM 1009 CA VAL A 67 7.169 25.695 -10.099 1.00100.00 C ATOM 1010 C VAL A 67 7.014 24.269 -10.560 1.00100.00 C ATOM 1011 O VAL A 67 7.713 23.867 -11.493 1.00100.00 O ATOM 1012 CB VAL A 67 7.958 25.777 -8.792 1.00100.00 C ATOM 1013 CG1 VAL A 67 9.283 25.024 -8.909 1.00100.00 C ATOM 1014 CG2 VAL A 67 8.236 27.240 -8.450 1.00100.00 C ATOM 0 H VAL A 67 5.654 26.656 -9.049 1.00100.00 H new ATOM 0 HA VAL A 67 7.747 26.230 -10.852 1.00100.00 H new ATOM 0 HB VAL A 67 7.363 25.318 -8.002 1.00100.00 H new ATOM 0 HG11 VAL A 67 9.827 25.096 -7.967 1.00100.00 H new ATOM 0 HG12 VAL A 67 9.087 23.976 -9.135 1.00100.00 H new ATOM 0 HG13 VAL A 67 9.881 25.462 -9.708 1.00100.00 H new ATOM 0 HG21 VAL A 67 8.798 27.295 -7.518 1.00100.00 H new ATOM 0 HG22 VAL A 67 8.816 27.697 -9.252 1.00100.00 H new ATOM 0 HG23 VAL A 67 7.292 27.773 -8.336 1.00100.00 H new ATOM 1024 N PHE A 68 6.083 23.493 -9.947 1.00100.00 N ATOM 1025 CA PHE A 68 5.896 22.128 -10.360 1.00100.00 C ATOM 1026 C PHE A 68 5.281 21.947 -11.717 1.00100.00 C ATOM 1027 O PHE A 68 5.700 21.066 -12.470 1.00100.00 O ATOM 1028 CB PHE A 68 5.358 21.134 -9.301 1.00100.00 C ATOM 1029 CG PHE A 68 3.897 21.187 -8.926 1.00100.00 C ATOM 1030 CD1 PHE A 68 2.953 20.480 -9.685 1.00100.00 C ATOM 1031 CD2 PHE A 68 3.504 21.823 -7.743 1.00100.00 C ATOM 1032 CE1 PHE A 68 1.619 20.418 -9.265 1.00100.00 C ATOM 1033 CE2 PHE A 68 2.169 21.762 -7.323 1.00100.00 C ATOM 1034 CZ PHE A 68 1.224 21.060 -8.084 1.00100.00 C ATOM 0 H PHE A 68 5.477 23.803 -9.187 1.00100.00 H new ATOM 0 HA PHE A 68 6.935 21.819 -10.471 1.00100.00 H new ATOM 0 HB2 PHE A 68 5.570 20.126 -9.657 1.00100.00 H new ATOM 0 HB3 PHE A 68 5.938 21.278 -8.389 1.00100.00 H new ATOM 0 HD1 PHE A 68 3.256 19.983 -10.595 1.00100.00 H new ATOM 0 HD2 PHE A 68 4.231 22.362 -7.153 1.00100.00 H new ATOM 0 HE1 PHE A 68 0.893 19.875 -9.852 1.00100.00 H new ATOM 0 HE2 PHE A 68 1.867 22.257 -6.412 1.00100.00 H new ATOM 0 HZ PHE A 68 0.194 21.014 -7.761 1.00100.00 H new ATOM 1044 N GLU A 69 4.305 22.812 -12.075 1.00100.00 N ATOM 1045 CA GLU A 69 3.611 22.720 -13.335 1.00100.00 C ATOM 1046 C GLU A 69 4.402 23.344 -14.454 1.00100.00 C ATOM 1047 O GLU A 69 4.150 24.467 -14.896 1.00100.00 O ATOM 1048 CB GLU A 69 2.205 23.362 -13.301 1.00100.00 C ATOM 1049 CG GLU A 69 1.308 22.674 -12.271 1.00100.00 C ATOM 1050 CD GLU A 69 -0.023 23.401 -12.108 1.00100.00 C ATOM 1051 OE1 GLU A 69 -0.176 24.477 -12.724 1.00100.00 O ATOM 1052 OE2 GLU A 69 -0.869 22.867 -11.357 1.00100.00 O1- ATOM 0 H GLU A 69 3.993 23.584 -11.485 1.00100.00 H new ATOM 0 HA GLU A 69 3.495 21.652 -13.518 1.00100.00 H new ATOM 0 HB2 GLU A 69 2.292 24.422 -13.061 1.00100.00 H new ATOM 0 HB3 GLU A 69 1.748 23.295 -14.288 1.00100.00 H new ATOM 0 HG2 GLU A 69 1.125 21.644 -12.578 1.00100.00 H new ATOM 0 HG3 GLU A 69 1.821 22.634 -11.310 1.00100.00 H new ATOM 1059 N THR A 70 5.442 22.603 -14.896 1.00100.00 N ATOM 1060 CA THR A 70 6.317 22.980 -15.980 1.00100.00 C ATOM 1061 C THR A 70 5.504 22.963 -17.260 1.00100.00 C ATOM 1062 O THR A 70 5.613 23.864 -18.095 1.00100.00 O ATOM 1063 CB THR A 70 7.495 22.029 -16.062 1.00100.00 C ATOM 1064 OG1 THR A 70 8.171 22.030 -14.824 1.00100.00 O ATOM 1065 CG2 THR A 70 8.459 22.465 -17.164 1.00100.00 C ATOM 0 H THR A 70 5.686 21.703 -14.483 1.00100.00 H new ATOM 0 HA THR A 70 6.723 23.978 -15.817 1.00100.00 H new ATOM 0 HB THR A 70 7.130 21.028 -16.293 1.00100.00 H new ATOM 0 HG1 THR A 70 8.305 21.107 -14.524 1.00100.00 H new ATOM 0 HG21 THR A 70 9.298 21.771 -17.209 1.00100.00 H new ATOM 0 HG22 THR A 70 7.939 22.468 -18.122 1.00100.00 H new ATOM 0 HG23 THR A 70 8.828 23.468 -16.949 1.00100.00 H new ATOM 1073 N GLN A 71 4.644 21.925 -17.398 1.00100.00 N ATOM 1074 CA GLN A 71 3.782 21.731 -18.529 1.00100.00 C ATOM 1075 C GLN A 71 2.502 22.559 -18.327 1.00100.00 C ATOM 1076 O GLN A 71 2.031 22.709 -17.166 1.00100.00 O ATOM 1077 CB GLN A 71 3.395 20.245 -18.752 1.00100.00 C ATOM 1078 CG GLN A 71 2.754 19.581 -17.532 1.00100.00 C ATOM 1079 CD GLN A 71 3.800 19.152 -16.512 1.00100.00 C ATOM 1080 OE1 GLN A 71 4.543 18.202 -16.745 1.00100.00 O ATOM 1081 NE2 GLN A 71 3.855 19.849 -15.377 1.00100.00 N ATOM 1082 OXT GLN A 71 1.980 23.055 -19.348 1.00100.00 O1- ATOM 0 H GLN A 71 4.548 21.195 -16.692 1.00100.00 H new ATOM 0 HA GLN A 71 4.331 22.055 -19.413 1.00100.00 H new ATOM 0 HB2 GLN A 71 2.704 20.182 -19.593 1.00100.00 H new ATOM 0 HB3 GLN A 71 4.288 19.685 -19.031 1.00100.00 H new ATOM 0 HG2 GLN A 71 2.054 20.274 -17.066 1.00100.00 H new ATOM 0 HG3 GLN A 71 2.178 18.712 -17.851 1.00100.00 H new ATOM 0 HE21 GLN A 71 3.217 20.631 -15.227 1.00100.00 H new ATOM 0 HE22 GLN A 71 4.535 19.600 -14.658 1.00100.00 H new TER 1091 GLN A 71 HETATM 1092 ZN ZN A 101 4.587 0.474 -0.151 1.00 73.25 ZN