USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 788 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 3 THR OG1 : rot 99:sc= 0.138 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0186 (180deg=-0.166) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.179 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000144) USER MOD Single : A 12 LYS NZ :NH3+ -154:sc= -0.0719 (180deg=-0.465) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 36 THR OG1 : rot 179:sc= -1.06 USER MOD Single : A 38 GLN : amide:sc= -0.0175 X(o=-0.018,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= 0.245 K(o=0.25,f=-1.3) USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= -0.0457 (180deg=-0.584) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -3.88! USER MOD Single : A 60 HIS :FLIP no HE2:sc= -0.561 F(o=-1.2,f=-0.56) USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= 0.109 (180deg=0) USER MOD Single : A 69 TYR OH : rot -89:sc= 0.0113 USER MOD Single : A 70 GLN : amide:sc= -0.957 K(o=-0.96,f=-2.5!) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= -0.358 (180deg=-1.66!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.12) USER MOD Single : A 76 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.9!) USER MOD Single : A 85 SER OG : rot 180:sc= -1.05 USER MOD Single : A 86 HIS : no HD1:sc= -0.0959 X(o=-0.096,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.039 -4.138 13.876 1.00 0.00 N ATOM 2 CA MET A 1 1.127 -5.582 14.219 1.00 0.00 C ATOM 3 C MET A 1 1.981 -6.338 13.207 1.00 0.00 C ATOM 4 O MET A 1 2.685 -7.286 13.558 1.00 0.00 O ATOM 5 CB MET A 1 -0.287 -6.162 14.252 1.00 0.00 C ATOM 6 CG MET A 1 -0.403 -7.439 15.071 1.00 0.00 C ATOM 7 SD MET A 1 -1.959 -7.544 15.976 1.00 0.00 S ATOM 8 CE MET A 1 -1.459 -8.512 17.397 1.00 0.00 C ATOM 0 H1 MET A 1 0.615 -3.618 14.670 1.00 0.00 H new ATOM 0 H2 MET A 1 1.992 -3.767 13.689 1.00 0.00 H new ATOM 0 H3 MET A 1 0.448 -4.018 13.029 1.00 0.00 H new ATOM 0 HA MET A 1 1.601 -5.689 15.195 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.968 -5.415 14.661 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.612 -6.364 13.231 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.313 -8.300 14.409 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.427 -7.491 15.776 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.315 -8.663 18.054 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.082 -9.479 17.064 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.674 -7.984 17.939 1.00 0.00 H new ATOM 20 N LEU A 2 1.918 -5.911 11.950 1.00 0.00 N ATOM 21 CA LEU A 2 2.686 -6.547 10.886 1.00 0.00 C ATOM 22 C LEU A 2 3.839 -5.654 10.439 1.00 0.00 C ATOM 23 O LEU A 2 3.661 -4.456 10.221 1.00 0.00 O ATOM 24 CB LEU A 2 1.783 -6.870 9.693 1.00 0.00 C ATOM 25 CG LEU A 2 0.671 -5.854 9.422 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.232 -5.917 7.967 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.509 -6.097 10.348 1.00 0.00 C ATOM 0 H LEU A 2 1.343 -5.127 11.643 1.00 0.00 H new ATOM 0 HA LEU A 2 3.099 -7.476 11.279 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.403 -6.952 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.328 -7.847 9.856 1.00 0.00 H new ATOM 0 HG LEU A 2 1.062 -4.856 9.618 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.559 -5.187 7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.081 -5.692 7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.141 -6.916 7.742 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.290 -5.366 10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -0.900 -7.101 10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.185 -5.999 11.384 1.00 0.00 H new ATOM 39 N THR A 3 5.021 -6.246 10.306 1.00 0.00 N ATOM 40 CA THR A 3 6.206 -5.503 9.885 1.00 0.00 C ATOM 41 C THR A 3 5.991 -4.862 8.518 1.00 0.00 C ATOM 42 O THR A 3 4.917 -4.980 7.928 1.00 0.00 O ATOM 43 CB THR A 3 7.427 -6.425 9.841 1.00 0.00 C ATOM 44 OG1 THR A 3 7.157 -7.651 10.497 1.00 0.00 O ATOM 45 CG2 THR A 3 8.656 -5.821 10.487 1.00 0.00 C ATOM 0 H THR A 3 5.185 -7.237 10.483 1.00 0.00 H new ATOM 0 HA THR A 3 6.383 -4.712 10.614 1.00 0.00 H new ATOM 0 HB THR A 3 7.631 -6.582 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.932 -8.335 9.832 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.485 -6.526 10.422 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.922 -4.899 9.971 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.447 -5.603 11.534 1.00 0.00 H new ATOM 53 N ILE A 4 7.019 -4.184 8.021 1.00 0.00 N ATOM 54 CA ILE A 4 6.947 -3.524 6.727 1.00 0.00 C ATOM 55 C ILE A 4 8.117 -3.931 5.836 1.00 0.00 C ATOM 56 O ILE A 4 9.278 -3.726 6.187 1.00 0.00 O ATOM 57 CB ILE A 4 6.942 -1.992 6.881 1.00 0.00 C ATOM 58 CG1 ILE A 4 5.875 -1.562 7.889 1.00 0.00 C ATOM 59 CG2 ILE A 4 6.709 -1.328 5.534 1.00 0.00 C ATOM 60 CD1 ILE A 4 6.368 -1.536 9.319 1.00 0.00 C ATOM 0 H ILE A 4 7.914 -4.078 8.498 1.00 0.00 H new ATOM 0 HA ILE A 4 6.013 -3.839 6.261 1.00 0.00 H new ATOM 0 HB ILE A 4 7.915 -1.674 7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.512 -0.570 7.620 1.00 0.00 H new ATOM 0 HG13 ILE A 4 5.026 -2.242 7.819 1.00 0.00 H new ATOM 0 HG21 ILE A 4 6.708 -0.245 5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.504 -1.614 4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.748 -1.648 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.558 -1.222 9.977 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.704 -2.532 9.606 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.198 -0.835 9.405 1.00 0.00 H new ATOM 72 N GLU A 5 7.800 -4.506 4.680 1.00 0.00 N ATOM 73 CA GLU A 5 8.826 -4.941 3.737 1.00 0.00 C ATOM 74 C GLU A 5 8.785 -4.097 2.467 1.00 0.00 C ATOM 75 O GLU A 5 7.819 -3.376 2.219 1.00 0.00 O ATOM 76 CB GLU A 5 8.636 -6.419 3.391 1.00 0.00 C ATOM 77 CG GLU A 5 9.520 -7.351 4.203 1.00 0.00 C ATOM 78 CD GLU A 5 10.997 -7.115 3.960 1.00 0.00 C ATOM 79 OE1 GLU A 5 11.362 -6.764 2.819 1.00 0.00 O ATOM 80 OE2 GLU A 5 11.789 -7.278 4.911 1.00 0.00 O ATOM 0 H GLU A 5 6.843 -4.682 4.374 1.00 0.00 H new ATOM 0 HA GLU A 5 9.800 -4.810 4.208 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.592 -6.690 3.551 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.844 -6.565 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.304 -7.218 5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.276 -8.384 3.956 1.00 0.00 H new ATOM 87 N THR A 6 9.842 -4.190 1.667 1.00 0.00 N ATOM 88 CA THR A 6 9.927 -3.434 0.423 1.00 0.00 C ATOM 89 C THR A 6 10.411 -4.317 -0.723 1.00 0.00 C ATOM 90 O THR A 6 11.170 -5.264 -0.511 1.00 0.00 O ATOM 91 CB THR A 6 10.867 -2.239 0.591 1.00 0.00 C ATOM 92 OG1 THR A 6 12.189 -2.675 0.855 1.00 0.00 O ATOM 93 CG2 THR A 6 10.457 -1.308 1.711 1.00 0.00 C ATOM 0 H THR A 6 10.651 -4.781 1.858 1.00 0.00 H new ATOM 0 HA THR A 6 8.928 -3.072 0.181 1.00 0.00 H new ATOM 0 HB THR A 6 10.812 -1.693 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.776 -1.897 0.958 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.166 -0.482 1.776 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.460 -0.915 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.450 -1.855 2.654 1.00 0.00 H new ATOM 101 N SER A 7 9.966 -4.003 -1.935 1.00 0.00 N ATOM 102 CA SER A 7 10.355 -4.768 -3.114 1.00 0.00 C ATOM 103 C SER A 7 11.368 -3.998 -3.953 1.00 0.00 C ATOM 104 O SER A 7 11.861 -2.948 -3.541 1.00 0.00 O ATOM 105 CB SER A 7 9.123 -5.098 -3.962 1.00 0.00 C ATOM 106 OG SER A 7 9.316 -6.295 -4.695 1.00 0.00 O ATOM 0 H SER A 7 9.336 -3.224 -2.127 1.00 0.00 H new ATOM 0 HA SER A 7 10.818 -5.696 -2.777 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.250 -5.199 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.919 -4.276 -4.648 1.00 0.00 H new ATOM 0 HG SER A 7 8.515 -6.485 -5.227 1.00 0.00 H new ATOM 112 N LYS A 8 11.674 -4.527 -5.133 1.00 0.00 N ATOM 113 CA LYS A 8 12.629 -3.890 -6.033 1.00 0.00 C ATOM 114 C LYS A 8 12.001 -2.685 -6.725 1.00 0.00 C ATOM 115 O LYS A 8 12.528 -1.576 -6.665 1.00 0.00 O ATOM 116 CB LYS A 8 13.126 -4.892 -7.075 1.00 0.00 C ATOM 117 CG LYS A 8 13.680 -6.173 -6.473 1.00 0.00 C ATOM 118 CD LYS A 8 14.960 -6.610 -7.167 1.00 0.00 C ATOM 119 CE LYS A 8 16.050 -5.559 -7.041 1.00 0.00 C ATOM 120 NZ LYS A 8 17.386 -6.168 -6.796 1.00 0.00 N ATOM 0 H LYS A 8 11.274 -5.396 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 8 13.476 -3.545 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.305 -5.142 -7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.900 -4.420 -7.680 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.875 -6.022 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.935 -6.964 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.307 -7.549 -6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.757 -6.800 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.085 -4.962 -7.952 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.806 -4.880 -6.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.101 -5.417 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.361 -6.717 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.631 -6.797 -7.587 1.00 0.00 H new ATOM 134 N LYS A 9 10.867 -2.914 -7.381 1.00 0.00 N ATOM 135 CA LYS A 9 10.163 -1.847 -8.083 1.00 0.00 C ATOM 136 C LYS A 9 9.665 -0.791 -7.103 1.00 0.00 C ATOM 137 O LYS A 9 9.611 0.397 -7.428 1.00 0.00 O ATOM 138 CB LYS A 9 8.987 -2.420 -8.875 1.00 0.00 C ATOM 139 CG LYS A 9 9.400 -3.425 -9.938 1.00 0.00 C ATOM 140 CD LYS A 9 8.192 -4.095 -10.573 1.00 0.00 C ATOM 141 CE LYS A 9 8.591 -5.329 -11.364 1.00 0.00 C ATOM 142 NZ LYS A 9 8.864 -6.495 -10.480 1.00 0.00 N ATOM 0 H LYS A 9 10.417 -3.827 -7.441 1.00 0.00 H new ATOM 0 HA LYS A 9 10.862 -1.376 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.294 -2.899 -8.184 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.447 -1.601 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.984 -2.922 -10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.045 -4.183 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.480 -4.374 -9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.686 -3.388 -11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.795 -5.584 -12.064 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.479 -5.108 -11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.116 -7.320 -11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.652 -6.268 -9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.015 -6.713 -9.920 1.00 0.00 H new ATOM 156 N PHE A 10 9.304 -1.229 -5.902 1.00 0.00 N ATOM 157 CA PHE A 10 8.810 -0.325 -4.871 1.00 0.00 C ATOM 158 C PHE A 10 9.875 0.701 -4.490 1.00 0.00 C ATOM 159 O PHE A 10 9.557 1.824 -4.098 1.00 0.00 O ATOM 160 CB PHE A 10 8.381 -1.117 -3.634 1.00 0.00 C ATOM 161 CG PHE A 10 7.853 -0.257 -2.521 1.00 0.00 C ATOM 162 CD1 PHE A 10 6.560 0.238 -2.563 1.00 0.00 C ATOM 163 CD2 PHE A 10 8.651 0.056 -1.433 1.00 0.00 C ATOM 164 CE1 PHE A 10 6.071 1.029 -1.541 1.00 0.00 C ATOM 165 CE2 PHE A 10 8.169 0.848 -0.407 1.00 0.00 C ATOM 166 CZ PHE A 10 6.878 1.334 -0.461 1.00 0.00 C ATOM 0 H PHE A 10 9.345 -2.208 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 10 7.947 0.207 -5.271 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.614 -1.836 -3.921 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.233 -1.690 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.926 0.003 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.661 -0.323 -1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.061 1.408 -1.586 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.802 1.086 0.435 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.499 1.952 0.340 1.00 0.00 H new ATOM 176 N ASP A 11 11.139 0.305 -4.604 1.00 0.00 N ATOM 177 CA ASP A 11 12.249 1.189 -4.268 1.00 0.00 C ATOM 178 C ASP A 11 12.361 2.333 -5.271 1.00 0.00 C ATOM 179 O ASP A 11 12.387 3.504 -4.892 1.00 0.00 O ATOM 180 CB ASP A 11 13.559 0.401 -4.227 1.00 0.00 C ATOM 181 CG ASP A 11 14.569 1.005 -3.270 1.00 0.00 C ATOM 182 OD1 ASP A 11 14.148 1.526 -2.215 1.00 0.00 O ATOM 183 OD2 ASP A 11 15.779 0.958 -3.576 1.00 0.00 O ATOM 0 H ASP A 11 11.420 -0.621 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 11 12.056 1.614 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 11 13.352 -0.627 -3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 11 13.989 0.364 -5.228 1.00 0.00 H new ATOM 188 N LYS A 12 12.428 1.986 -6.552 1.00 0.00 N ATOM 189 CA LYS A 12 12.539 2.986 -7.610 1.00 0.00 C ATOM 190 C LYS A 12 11.236 3.767 -7.781 1.00 0.00 C ATOM 191 O LYS A 12 11.198 4.773 -8.490 1.00 0.00 O ATOM 192 CB LYS A 12 12.927 2.320 -8.933 1.00 0.00 C ATOM 193 CG LYS A 12 11.935 1.268 -9.401 1.00 0.00 C ATOM 194 CD LYS A 12 12.599 0.238 -10.302 1.00 0.00 C ATOM 195 CE LYS A 12 12.301 0.508 -11.768 1.00 0.00 C ATOM 196 NZ LYS A 12 10.856 0.337 -12.083 1.00 0.00 N ATOM 0 H LYS A 12 12.407 1.022 -6.883 1.00 0.00 H new ATOM 0 HA LYS A 12 13.319 3.690 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.020 3.087 -9.702 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.908 1.858 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.498 0.769 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.118 1.750 -9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.677 0.252 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.249 -0.760 -10.036 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.610 1.523 -12.020 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.890 -0.168 -12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.746 0.092 -13.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.460 -0.425 -11.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.350 1.224 -11.886 1.00 0.00 H new ATOM 210 N ASP A 13 10.171 3.303 -7.132 1.00 0.00 N ATOM 211 CA ASP A 13 8.874 3.965 -7.222 1.00 0.00 C ATOM 212 C ASP A 13 8.763 5.091 -6.195 1.00 0.00 C ATOM 213 O ASP A 13 8.038 6.063 -6.404 1.00 0.00 O ATOM 214 CB ASP A 13 7.745 2.953 -7.015 1.00 0.00 C ATOM 215 CG ASP A 13 6.865 2.808 -8.242 1.00 0.00 C ATOM 216 OD1 ASP A 13 7.318 2.185 -9.226 1.00 0.00 O ATOM 217 OD2 ASP A 13 5.725 3.316 -8.219 1.00 0.00 O ATOM 0 H ASP A 13 10.181 2.473 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 13 8.784 4.398 -8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.173 1.983 -6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.134 3.263 -6.168 1.00 0.00 H new ATOM 222 N LEU A 14 9.483 4.950 -5.087 1.00 0.00 N ATOM 223 CA LEU A 14 9.459 5.955 -4.028 1.00 0.00 C ATOM 224 C LEU A 14 10.425 7.096 -4.333 1.00 0.00 C ATOM 225 O LEU A 14 10.156 8.253 -4.006 1.00 0.00 O ATOM 226 CB LEU A 14 9.813 5.315 -2.683 1.00 0.00 C ATOM 227 CG LEU A 14 8.883 5.680 -1.526 1.00 0.00 C ATOM 228 CD1 LEU A 14 7.447 5.303 -1.859 1.00 0.00 C ATOM 229 CD2 LEU A 14 9.332 4.997 -0.244 1.00 0.00 C ATOM 0 H LEU A 14 10.089 4.152 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 14 8.451 6.365 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.811 4.232 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.830 5.605 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 14 8.929 6.758 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.798 5.570 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.128 5.839 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.385 4.230 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.658 5.269 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.316 3.916 -0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.345 5.316 0.003 1.00 0.00 H new ATOM 241 N LYS A 15 11.549 6.765 -4.960 1.00 0.00 N ATOM 242 CA LYS A 15 12.555 7.764 -5.305 1.00 0.00 C ATOM 243 C LYS A 15 11.971 8.844 -6.212 1.00 0.00 C ATOM 244 O LYS A 15 12.417 9.990 -6.193 1.00 0.00 O ATOM 245 CB LYS A 15 13.750 7.097 -5.992 1.00 0.00 C ATOM 246 CG LYS A 15 13.418 6.498 -7.349 1.00 0.00 C ATOM 247 CD LYS A 15 14.676 6.130 -8.119 1.00 0.00 C ATOM 248 CE LYS A 15 14.523 6.419 -9.603 1.00 0.00 C ATOM 249 NZ LYS A 15 15.759 6.082 -10.364 1.00 0.00 N ATOM 0 H LYS A 15 11.786 5.813 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 15 12.889 8.237 -4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 15 14.545 7.833 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.139 6.312 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.800 5.610 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.831 7.210 -7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.523 6.690 -7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.897 5.073 -7.974 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.685 5.847 -10.000 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.285 7.473 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.615 6.293 -11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.554 6.647 -10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.972 5.071 -10.249 1.00 0.00 H new ATOM 263 N ILE A 16 10.972 8.470 -7.006 1.00 0.00 N ATOM 264 CA ILE A 16 10.332 9.408 -7.921 1.00 0.00 C ATOM 265 C ILE A 16 9.390 10.352 -7.179 1.00 0.00 C ATOM 266 O ILE A 16 9.317 11.539 -7.489 1.00 0.00 O ATOM 267 CB ILE A 16 9.540 8.671 -9.019 1.00 0.00 C ATOM 268 CG1 ILE A 16 10.413 7.599 -9.673 1.00 0.00 C ATOM 269 CG2 ILE A 16 9.033 9.658 -10.059 1.00 0.00 C ATOM 270 CD1 ILE A 16 11.602 8.159 -10.422 1.00 0.00 C ATOM 0 H ILE A 16 10.589 7.525 -7.034 1.00 0.00 H new ATOM 0 HA ILE A 16 11.130 9.988 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 16 8.679 8.183 -8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 16 10.769 6.913 -8.904 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.802 7.016 -10.362 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.476 9.122 -10.828 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.381 10.388 -9.580 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.879 10.172 -10.516 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.175 7.341 -10.859 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.254 8.822 -11.214 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.235 8.718 -9.733 1.00 0.00 H new ATOM 282 N LEU A 17 8.669 9.815 -6.201 1.00 0.00 N ATOM 283 CA LEU A 17 7.728 10.611 -5.420 1.00 0.00 C ATOM 284 C LEU A 17 8.464 11.581 -4.499 1.00 0.00 C ATOM 285 O LEU A 17 8.092 12.749 -4.390 1.00 0.00 O ATOM 286 CB LEU A 17 6.811 9.703 -4.601 1.00 0.00 C ATOM 287 CG LEU A 17 5.505 9.311 -5.294 1.00 0.00 C ATOM 288 CD1 LEU A 17 4.797 8.214 -4.517 1.00 0.00 C ATOM 289 CD2 LEU A 17 4.601 10.524 -5.455 1.00 0.00 C ATOM 0 H LEU A 17 8.718 8.833 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 17 7.121 11.191 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.357 8.795 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.571 10.204 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 17 5.743 8.928 -6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.870 7.948 -5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.442 7.337 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.571 8.568 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.677 10.226 -5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.370 10.938 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.108 11.278 -6.057 1.00 0.00 H new ATOM 301 N VAL A 18 9.506 11.090 -3.836 1.00 0.00 N ATOM 302 CA VAL A 18 10.288 11.917 -2.925 1.00 0.00 C ATOM 303 C VAL A 18 10.901 13.111 -3.656 1.00 0.00 C ATOM 304 O VAL A 18 11.134 14.162 -3.059 1.00 0.00 O ATOM 305 CB VAL A 18 11.410 11.105 -2.248 1.00 0.00 C ATOM 306 CG1 VAL A 18 12.381 10.561 -3.285 1.00 0.00 C ATOM 307 CG2 VAL A 18 12.141 11.955 -1.218 1.00 0.00 C ATOM 0 H VAL A 18 9.828 10.125 -3.912 1.00 0.00 H new ATOM 0 HA VAL A 18 9.603 12.278 -2.158 1.00 0.00 H new ATOM 0 HB VAL A 18 10.956 10.259 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 18 13.165 9.991 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.847 9.912 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.828 11.389 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 18 12.929 11.364 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.581 12.823 -1.709 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.437 12.288 -0.455 1.00 0.00 H new ATOM 317 N LYS A 19 11.158 12.940 -4.949 1.00 0.00 N ATOM 318 CA LYS A 19 11.742 14.002 -5.758 1.00 0.00 C ATOM 319 C LYS A 19 10.686 15.033 -6.147 1.00 0.00 C ATOM 320 O LYS A 19 10.989 16.213 -6.316 1.00 0.00 O ATOM 321 CB LYS A 19 12.388 13.417 -7.015 1.00 0.00 C ATOM 322 CG LYS A 19 13.370 14.361 -7.691 1.00 0.00 C ATOM 323 CD LYS A 19 14.794 14.121 -7.212 1.00 0.00 C ATOM 324 CE LYS A 19 15.753 13.944 -8.379 1.00 0.00 C ATOM 325 NZ LYS A 19 17.176 14.034 -7.947 1.00 0.00 N ATOM 0 H LYS A 19 10.971 12.076 -5.458 1.00 0.00 H new ATOM 0 HA LYS A 19 12.507 14.500 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.906 12.495 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.605 13.151 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.321 14.226 -8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.085 15.393 -7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 19 15.118 14.961 -6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 19 14.821 13.234 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.577 12.977 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.553 14.706 -9.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.798 13.908 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.351 14.966 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.374 13.290 -7.247 1.00 0.00 H new ATOM 339 N ASN A 20 9.445 14.576 -6.288 1.00 0.00 N ATOM 340 CA ASN A 20 8.344 15.459 -6.657 1.00 0.00 C ATOM 341 C ASN A 20 7.723 16.102 -5.422 1.00 0.00 C ATOM 342 O ASN A 20 7.371 17.282 -5.435 1.00 0.00 O ATOM 343 CB ASN A 20 7.280 14.680 -7.435 1.00 0.00 C ATOM 344 CG ASN A 20 6.906 15.356 -8.739 1.00 0.00 C ATOM 345 OD1 ASN A 20 5.837 15.953 -8.859 1.00 0.00 O ATOM 346 ND2 ASN A 20 7.790 15.265 -9.727 1.00 0.00 N ATOM 0 H ASN A 20 9.177 13.601 -6.153 1.00 0.00 H new ATOM 0 HA ASN A 20 8.742 16.251 -7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.649 13.675 -7.643 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.389 14.571 -6.817 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.594 15.700 -10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.665 14.760 -9.584 1.00 0.00 H new ATOM 353 N GLY A 21 7.593 15.321 -4.355 1.00 0.00 N ATOM 354 CA GLY A 21 7.015 15.832 -3.126 1.00 0.00 C ATOM 355 C GLY A 21 6.501 14.730 -2.222 1.00 0.00 C ATOM 356 O GLY A 21 5.294 14.502 -2.134 1.00 0.00 O ATOM 0 H GLY A 21 7.878 14.342 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.765 16.416 -2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.196 16.510 -3.368 1.00 0.00 H new ATOM 360 N PHE A 22 7.417 14.043 -1.548 1.00 0.00 N ATOM 361 CA PHE A 22 7.051 12.958 -0.645 1.00 0.00 C ATOM 362 C PHE A 22 8.017 12.882 0.532 1.00 0.00 C ATOM 363 O PHE A 22 9.090 13.485 0.507 1.00 0.00 O ATOM 364 CB PHE A 22 7.035 11.625 -1.395 1.00 0.00 C ATOM 365 CG PHE A 22 6.248 10.553 -0.697 1.00 0.00 C ATOM 366 CD1 PHE A 22 4.877 10.676 -0.534 1.00 0.00 C ATOM 367 CD2 PHE A 22 6.879 9.424 -0.201 1.00 0.00 C ATOM 368 CE1 PHE A 22 4.151 9.691 0.109 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.159 8.436 0.442 1.00 0.00 C ATOM 370 CZ PHE A 22 4.792 8.569 0.598 1.00 0.00 C ATOM 0 H PHE A 22 8.420 14.219 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 22 6.052 13.161 -0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.617 11.782 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.060 11.281 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.370 11.551 -0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.947 9.315 -0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.083 9.798 0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.664 7.560 0.823 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.227 7.798 1.101 1.00 0.00 H new ATOM 380 N ASP A 23 7.629 12.137 1.562 1.00 0.00 N ATOM 381 CA ASP A 23 8.462 11.982 2.750 1.00 0.00 C ATOM 382 C ASP A 23 8.713 10.508 3.052 1.00 0.00 C ATOM 383 O ASP A 23 8.043 9.630 2.508 1.00 0.00 O ATOM 384 CB ASP A 23 7.799 12.655 3.954 1.00 0.00 C ATOM 385 CG ASP A 23 7.937 14.164 3.919 1.00 0.00 C ATOM 386 OD1 ASP A 23 9.014 14.653 3.519 1.00 0.00 O ATOM 387 OD2 ASP A 23 6.967 14.857 4.294 1.00 0.00 O ATOM 0 H ASP A 23 6.744 11.631 1.598 1.00 0.00 H new ATOM 0 HA ASP A 23 9.421 12.462 2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.742 12.390 3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.245 12.273 4.872 1.00 0.00 H new ATOM 392 N LEU A 24 9.681 10.244 3.924 1.00 0.00 N ATOM 393 CA LEU A 24 10.020 8.876 4.298 1.00 0.00 C ATOM 394 C LEU A 24 9.207 8.426 5.507 1.00 0.00 C ATOM 395 O LEU A 24 8.534 7.396 5.468 1.00 0.00 O ATOM 396 CB LEU A 24 11.515 8.765 4.606 1.00 0.00 C ATOM 397 CG LEU A 24 12.411 8.538 3.388 1.00 0.00 C ATOM 398 CD1 LEU A 24 12.622 9.841 2.630 1.00 0.00 C ATOM 399 CD2 LEU A 24 13.746 7.944 3.812 1.00 0.00 C ATOM 0 H LEU A 24 10.244 10.959 4.384 1.00 0.00 H new ATOM 0 HA LEU A 24 9.779 8.226 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.836 9.677 5.109 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.666 7.944 5.307 1.00 0.00 H new ATOM 0 HG LEU A 24 11.916 7.831 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.262 9.660 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.659 10.226 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.096 10.571 3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.371 7.789 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 24 14.247 8.628 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 24 13.578 6.989 4.310 1.00 0.00 H new ATOM 411 N LYS A 25 9.272 9.208 6.581 1.00 0.00 N ATOM 412 CA LYS A 25 8.539 8.893 7.803 1.00 0.00 C ATOM 413 C LYS A 25 7.040 8.792 7.534 1.00 0.00 C ATOM 414 O LYS A 25 6.307 8.149 8.284 1.00 0.00 O ATOM 415 CB LYS A 25 8.807 9.954 8.869 1.00 0.00 C ATOM 416 CG LYS A 25 10.032 9.664 9.725 1.00 0.00 C ATOM 417 CD LYS A 25 9.643 9.226 11.128 1.00 0.00 C ATOM 418 CE LYS A 25 10.659 8.257 11.711 1.00 0.00 C ATOM 419 NZ LYS A 25 10.028 7.285 12.644 1.00 0.00 N ATOM 0 H LYS A 25 9.825 10.064 6.630 1.00 0.00 H new ATOM 0 HA LYS A 25 8.888 7.926 8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.935 10.921 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.933 10.036 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.630 8.885 9.253 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.657 10.556 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.561 10.100 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.661 8.754 11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.151 7.717 10.902 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.433 8.816 12.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.754 6.642 13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.580 7.799 13.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.307 6.734 12.136 1.00 0.00 H new ATOM 433 N LEU A 26 6.588 9.433 6.459 1.00 0.00 N ATOM 434 CA LEU A 26 5.176 9.416 6.092 1.00 0.00 C ATOM 435 C LEU A 26 4.657 7.985 5.977 1.00 0.00 C ATOM 436 O LEU A 26 3.652 7.628 6.590 1.00 0.00 O ATOM 437 CB LEU A 26 4.965 10.156 4.768 1.00 0.00 C ATOM 438 CG LEU A 26 3.508 10.477 4.425 1.00 0.00 C ATOM 439 CD1 LEU A 26 2.768 9.215 4.010 1.00 0.00 C ATOM 440 CD2 LEU A 26 2.814 11.141 5.604 1.00 0.00 C ATOM 0 H LEU A 26 7.181 9.971 5.827 1.00 0.00 H new ATOM 0 HA LEU A 26 4.616 9.922 6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.528 11.089 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.387 9.554 3.963 1.00 0.00 H new ATOM 0 HG LEU A 26 3.498 11.173 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.734 9.462 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.251 8.782 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.788 8.495 4.828 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.780 11.361 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.835 10.470 6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.330 12.068 5.855 1.00 0.00 H new ATOM 452 N LEU A 27 5.350 7.170 5.188 1.00 0.00 N ATOM 453 CA LEU A 27 4.958 5.779 4.993 1.00 0.00 C ATOM 454 C LEU A 27 4.997 5.011 6.311 1.00 0.00 C ATOM 455 O LEU A 27 4.230 4.072 6.516 1.00 0.00 O ATOM 456 CB LEU A 27 5.877 5.107 3.970 1.00 0.00 C ATOM 457 CG LEU A 27 5.246 3.950 3.193 1.00 0.00 C ATOM 458 CD1 LEU A 27 5.822 3.873 1.789 1.00 0.00 C ATOM 459 CD2 LEU A 27 5.455 2.637 3.931 1.00 0.00 C ATOM 0 H LEU A 27 6.185 7.449 4.674 1.00 0.00 H new ATOM 0 HA LEU A 27 3.935 5.766 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.215 5.860 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.762 4.737 4.488 1.00 0.00 H new ATOM 0 HG LEU A 27 4.174 4.132 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.361 3.044 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.620 4.805 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.899 3.715 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.000 1.825 3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.523 2.448 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.992 2.696 4.916 1.00 0.00 H new ATOM 471 N TYR A 28 5.898 5.418 7.199 1.00 0.00 N ATOM 472 CA TYR A 28 6.039 4.768 8.498 1.00 0.00 C ATOM 473 C TYR A 28 4.877 5.126 9.420 1.00 0.00 C ATOM 474 O TYR A 28 4.533 4.365 10.324 1.00 0.00 O ATOM 475 CB TYR A 28 7.364 5.169 9.145 1.00 0.00 C ATOM 476 CG TYR A 28 8.555 4.402 8.617 1.00 0.00 C ATOM 477 CD1 TYR A 28 8.523 3.016 8.517 1.00 0.00 C ATOM 478 CD2 TYR A 28 9.709 5.062 8.216 1.00 0.00 C ATOM 479 CE1 TYR A 28 9.609 2.311 8.032 1.00 0.00 C ATOM 480 CE2 TYR A 28 10.799 4.365 7.732 1.00 0.00 C ATOM 481 CZ TYR A 28 10.744 2.989 7.642 1.00 0.00 C ATOM 482 OH TYR A 28 11.827 2.292 7.159 1.00 0.00 O ATOM 0 H TYR A 28 6.541 6.194 7.044 1.00 0.00 H new ATOM 0 HA TYR A 28 6.029 3.689 8.341 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.529 6.234 8.984 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.293 5.016 10.222 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.636 2.481 8.823 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.755 6.139 8.284 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.568 1.234 7.959 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.689 4.894 7.426 1.00 0.00 H new ATOM 0 HH TYR A 28 12.543 2.920 6.928 1.00 0.00 H new ATOM 492 N LYS A 29 4.276 6.289 9.187 1.00 0.00 N ATOM 493 CA LYS A 29 3.155 6.745 10.000 1.00 0.00 C ATOM 494 C LYS A 29 1.840 6.153 9.500 1.00 0.00 C ATOM 495 O LYS A 29 0.934 5.874 10.288 1.00 0.00 O ATOM 496 CB LYS A 29 3.078 8.272 9.991 1.00 0.00 C ATOM 497 CG LYS A 29 2.355 8.854 11.194 1.00 0.00 C ATOM 498 CD LYS A 29 3.203 8.763 12.453 1.00 0.00 C ATOM 499 CE LYS A 29 2.704 7.668 13.384 1.00 0.00 C ATOM 500 NZ LYS A 29 3.688 7.360 14.457 1.00 0.00 N ATOM 0 H LYS A 29 4.547 6.932 8.443 1.00 0.00 H new ATOM 0 HA LYS A 29 3.319 6.403 11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.089 8.678 9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.571 8.596 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.103 9.896 10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.416 8.322 11.348 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.240 8.566 12.181 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.187 9.720 12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.761 7.977 13.834 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.502 6.766 12.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.310 6.609 15.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.580 7.041 14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.862 8.214 15.024 1.00 0.00 H new ATOM 514 N VAL A 30 1.739 5.965 8.190 1.00 0.00 N ATOM 515 CA VAL A 30 0.533 5.407 7.587 1.00 0.00 C ATOM 516 C VAL A 30 0.388 3.919 7.902 1.00 0.00 C ATOM 517 O VAL A 30 -0.693 3.349 7.755 1.00 0.00 O ATOM 518 CB VAL A 30 0.528 5.598 6.058 1.00 0.00 C ATOM 519 CG1 VAL A 30 -0.785 5.114 5.458 1.00 0.00 C ATOM 520 CG2 VAL A 30 0.776 7.056 5.703 1.00 0.00 C ATOM 0 H VAL A 30 2.478 6.191 7.524 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.309 5.948 8.018 1.00 0.00 H new ATOM 0 HB VAL A 30 1.335 4.999 5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.766 5.258 4.378 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.918 4.055 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.612 5.681 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.769 7.173 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.008 7.675 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.744 7.366 6.095 1.00 0.00 H new ATOM 530 N VAL A 31 1.479 3.292 8.339 1.00 0.00 N ATOM 531 CA VAL A 31 1.465 1.871 8.673 1.00 0.00 C ATOM 532 C VAL A 31 0.295 1.530 9.595 1.00 0.00 C ATOM 533 O VAL A 31 -0.211 0.409 9.583 1.00 0.00 O ATOM 534 CB VAL A 31 2.782 1.437 9.346 1.00 0.00 C ATOM 535 CG1 VAL A 31 2.793 -0.067 9.584 1.00 0.00 C ATOM 536 CG2 VAL A 31 3.975 1.858 8.505 1.00 0.00 C ATOM 0 H VAL A 31 2.383 3.746 8.470 1.00 0.00 H new ATOM 0 HA VAL A 31 1.351 1.329 7.734 1.00 0.00 H new ATOM 0 HB VAL A 31 2.854 1.935 10.313 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.731 -0.353 10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.960 -0.339 10.232 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.696 -0.587 8.631 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.896 1.543 8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.910 1.391 7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.976 2.942 8.392 1.00 0.00 H new ATOM 546 N GLY A 32 -0.130 2.508 10.389 1.00 0.00 N ATOM 547 CA GLY A 32 -1.236 2.292 11.303 1.00 0.00 C ATOM 548 C GLY A 32 -2.572 2.227 10.589 1.00 0.00 C ATOM 549 O GLY A 32 -3.511 1.594 11.070 1.00 0.00 O ATOM 0 H GLY A 32 0.272 3.445 10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.075 1.364 11.851 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.259 3.097 12.038 1.00 0.00 H new ATOM 553 N ASN A 33 -2.657 2.885 9.435 1.00 0.00 N ATOM 554 CA ASN A 33 -3.889 2.900 8.653 1.00 0.00 C ATOM 555 C ASN A 33 -3.918 1.740 7.663 1.00 0.00 C ATOM 556 O ASN A 33 -4.986 1.243 7.307 1.00 0.00 O ATOM 557 CB ASN A 33 -4.025 4.228 7.906 1.00 0.00 C ATOM 558 CG ASN A 33 -4.431 5.366 8.820 1.00 0.00 C ATOM 559 OD1 ASN A 33 -5.713 5.713 8.800 1.00 0.00 O flip ATOM 560 ND2 ASN A 33 -3.603 5.927 9.537 1.00 0.00 N flip ATOM 0 H ASN A 33 -1.889 3.414 9.022 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.729 2.789 9.339 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.077 4.471 7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.765 4.121 7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.628 5.628 9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.892 6.691 10.148 1.00 0.00 H new ATOM 567 N LEU A 34 -2.740 1.314 7.218 1.00 0.00 N ATOM 568 CA LEU A 34 -2.633 0.213 6.268 1.00 0.00 C ATOM 569 C LEU A 34 -3.102 -1.095 6.896 1.00 0.00 C ATOM 570 O LEU A 34 -3.737 -1.918 6.238 1.00 0.00 O ATOM 571 CB LEU A 34 -1.190 0.070 5.782 1.00 0.00 C ATOM 572 CG LEU A 34 -0.590 1.328 5.150 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.813 1.050 4.636 1.00 0.00 C ATOM 574 CD2 LEU A 34 -1.482 1.836 4.026 1.00 0.00 C ATOM 0 H LEU A 34 -1.846 1.715 7.500 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.276 0.437 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.567 -0.227 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.147 -0.740 5.054 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.527 2.102 5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.223 1.956 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.448 0.733 5.464 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.776 0.261 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.041 2.731 3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.577 1.066 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.468 2.075 4.424 1.00 0.00 H new ATOM 586 N ALA A 35 -2.784 -1.279 8.174 1.00 0.00 N ATOM 587 CA ALA A 35 -3.173 -2.487 8.892 1.00 0.00 C ATOM 588 C ALA A 35 -4.656 -2.461 9.248 1.00 0.00 C ATOM 589 O ALA A 35 -5.308 -3.502 9.306 1.00 0.00 O ATOM 590 CB ALA A 35 -2.329 -2.648 10.147 1.00 0.00 C ATOM 0 H ALA A 35 -2.258 -0.607 8.733 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.999 -3.341 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.630 -3.554 10.674 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.277 -2.721 9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.475 -1.785 10.797 1.00 0.00 H new ATOM 596 N THR A 36 -5.182 -1.264 9.483 1.00 0.00 N ATOM 597 CA THR A 36 -6.589 -1.103 9.832 1.00 0.00 C ATOM 598 C THR A 36 -7.462 -1.101 8.581 1.00 0.00 C ATOM 599 O THR A 36 -8.513 -1.742 8.546 1.00 0.00 O ATOM 600 CB THR A 36 -6.798 0.193 10.616 1.00 0.00 C ATOM 601 OG1 THR A 36 -6.288 1.301 9.897 1.00 0.00 O ATOM 602 CG2 THR A 36 -6.134 0.183 11.975 1.00 0.00 C ATOM 0 H THR A 36 -4.656 -0.391 9.438 1.00 0.00 H new ATOM 0 HA THR A 36 -6.881 -1.947 10.457 1.00 0.00 H new ATOM 0 HB THR A 36 -7.876 0.276 10.757 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.446 2.123 10.407 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.321 1.132 12.478 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.542 -0.632 12.573 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.060 0.042 11.854 1.00 0.00 H new ATOM 610 N GLU A 37 -7.020 -0.378 7.556 1.00 0.00 N ATOM 611 CA GLU A 37 -7.763 -0.295 6.304 1.00 0.00 C ATOM 612 C GLU A 37 -9.143 0.318 6.528 1.00 0.00 C ATOM 613 O GLU A 37 -10.160 -0.249 6.124 1.00 0.00 O ATOM 614 CB GLU A 37 -7.903 -1.686 5.679 1.00 0.00 C ATOM 615 CG GLU A 37 -6.584 -2.431 5.552 1.00 0.00 C ATOM 616 CD GLU A 37 -6.763 -3.936 5.550 1.00 0.00 C ATOM 617 OE1 GLU A 37 -7.803 -4.410 5.050 1.00 0.00 O ATOM 618 OE2 GLU A 37 -5.859 -4.641 6.050 1.00 0.00 O ATOM 0 H GLU A 37 -6.152 0.158 7.568 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.208 0.349 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.589 -2.279 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.352 -1.588 4.691 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.086 -2.127 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.930 -2.148 6.377 1.00 0.00 H new ATOM 625 N GLN A 38 -9.173 1.477 7.178 1.00 0.00 N ATOM 626 CA GLN A 38 -10.431 2.163 7.460 1.00 0.00 C ATOM 627 C GLN A 38 -10.759 3.183 6.370 1.00 0.00 C ATOM 628 O GLN A 38 -11.853 3.164 5.803 1.00 0.00 O ATOM 629 CB GLN A 38 -10.383 2.856 8.827 1.00 0.00 C ATOM 630 CG GLN A 38 -9.278 2.348 9.741 1.00 0.00 C ATOM 631 CD GLN A 38 -9.493 2.744 11.190 1.00 0.00 C ATOM 632 OE1 GLN A 38 -8.723 3.523 11.754 1.00 0.00 O ATOM 633 NE2 GLN A 38 -10.541 2.206 11.801 1.00 0.00 N ATOM 0 H GLN A 38 -8.343 1.961 7.519 1.00 0.00 H new ATOM 0 HA GLN A 38 -11.218 1.409 7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.251 3.927 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.343 2.721 9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -9.222 1.262 9.669 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.320 2.739 9.399 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.153 1.565 11.295 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.735 2.433 12.776 1.00 0.00 H new ATOM 642 N PRO A 39 -9.818 4.095 6.060 1.00 0.00 N ATOM 643 CA PRO A 39 -10.023 5.117 5.041 1.00 0.00 C ATOM 644 C PRO A 39 -9.696 4.620 3.631 1.00 0.00 C ATOM 645 O PRO A 39 -10.573 4.112 2.931 1.00 0.00 O ATOM 646 CB PRO A 39 -9.071 6.231 5.480 1.00 0.00 C ATOM 647 CG PRO A 39 -7.970 5.550 6.232 1.00 0.00 C ATOM 648 CD PRO A 39 -8.486 4.201 6.680 1.00 0.00 C ATOM 0 HA PRO A 39 -11.064 5.434 4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.680 6.774 4.619 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.583 6.958 6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.090 5.432 5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.667 6.148 7.091 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.829 3.395 6.352 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.547 4.140 7.767 1.00 0.00 H new ATOM 656 N LEU A 40 -8.439 4.762 3.213 1.00 0.00 N ATOM 657 CA LEU A 40 -8.020 4.322 1.886 1.00 0.00 C ATOM 658 C LEU A 40 -8.866 4.976 0.797 1.00 0.00 C ATOM 659 O LEU A 40 -9.061 4.407 -0.276 1.00 0.00 O ATOM 660 CB LEU A 40 -8.119 2.799 1.778 1.00 0.00 C ATOM 661 CG LEU A 40 -7.571 2.029 2.981 1.00 0.00 C ATOM 662 CD1 LEU A 40 -8.475 0.852 3.320 1.00 0.00 C ATOM 663 CD2 LEU A 40 -6.152 1.553 2.706 1.00 0.00 C ATOM 0 H LEU A 40 -7.695 5.178 3.774 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.983 4.626 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.165 2.527 1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.583 2.477 0.885 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.548 2.701 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.069 0.317 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.474 1.217 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.531 0.178 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.777 1.007 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.150 0.897 1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.511 2.413 2.514 1.00 0.00 H new ATOM 675 N ALA A 41 -9.365 6.175 1.081 1.00 0.00 N ATOM 676 CA ALA A 41 -10.189 6.907 0.125 1.00 0.00 C ATOM 677 C ALA A 41 -11.467 6.133 -0.205 1.00 0.00 C ATOM 678 O ALA A 41 -11.408 5.039 -0.764 1.00 0.00 O ATOM 679 CB ALA A 41 -9.400 7.186 -1.145 1.00 0.00 C ATOM 0 H ALA A 41 -9.213 6.660 1.965 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.475 7.855 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.026 7.733 -1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.520 7.782 -0.903 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.087 6.243 -1.593 1.00 0.00 H new ATOM 685 N PRO A 42 -12.643 6.691 0.137 1.00 0.00 N ATOM 686 CA PRO A 42 -13.930 6.040 -0.131 1.00 0.00 C ATOM 687 C PRO A 42 -14.230 5.942 -1.623 1.00 0.00 C ATOM 688 O PRO A 42 -14.961 5.055 -2.061 1.00 0.00 O ATOM 689 CB PRO A 42 -14.947 6.954 0.559 1.00 0.00 C ATOM 690 CG PRO A 42 -14.279 8.282 0.636 1.00 0.00 C ATOM 691 CD PRO A 42 -12.813 7.996 0.806 1.00 0.00 C ATOM 0 HA PRO A 42 -13.947 5.012 0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.876 7.011 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.203 6.582 1.551 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.461 8.864 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.663 8.865 1.473 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.196 8.768 0.345 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.531 7.949 1.858 1.00 0.00 H new ATOM 699 N LYS A 43 -13.659 6.858 -2.399 1.00 0.00 N ATOM 700 CA LYS A 43 -13.866 6.871 -3.843 1.00 0.00 C ATOM 701 C LYS A 43 -13.259 5.632 -4.493 1.00 0.00 C ATOM 702 O LYS A 43 -13.753 5.150 -5.512 1.00 0.00 O ATOM 703 CB LYS A 43 -13.256 8.134 -4.455 1.00 0.00 C ATOM 704 CG LYS A 43 -11.794 8.342 -4.087 1.00 0.00 C ATOM 705 CD LYS A 43 -11.628 9.459 -3.068 1.00 0.00 C ATOM 706 CE LYS A 43 -10.232 10.058 -3.124 1.00 0.00 C ATOM 707 NZ LYS A 43 -10.140 11.163 -4.119 1.00 0.00 N ATOM 0 H LYS A 43 -13.050 7.600 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.940 6.866 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.345 8.082 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.831 9.000 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.384 7.416 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.222 8.579 -4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.367 10.238 -3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.820 9.072 -2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.959 10.434 -2.138 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.513 9.279 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.172 11.544 -4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.376 10.799 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.808 11.918 -3.862 1.00 0.00 H new ATOM 721 N TYR A 44 -12.185 5.123 -3.899 1.00 0.00 N ATOM 722 CA TYR A 44 -11.510 3.941 -4.420 1.00 0.00 C ATOM 723 C TYR A 44 -11.746 2.735 -3.516 1.00 0.00 C ATOM 724 O TYR A 44 -12.290 1.718 -3.949 1.00 0.00 O ATOM 725 CB TYR A 44 -10.010 4.202 -4.559 1.00 0.00 C ATOM 726 CG TYR A 44 -9.682 5.509 -5.244 1.00 0.00 C ATOM 727 CD1 TYR A 44 -10.126 5.769 -6.535 1.00 0.00 C ATOM 728 CD2 TYR A 44 -8.928 6.482 -4.601 1.00 0.00 C ATOM 729 CE1 TYR A 44 -9.829 6.962 -7.165 1.00 0.00 C ATOM 730 CE2 TYR A 44 -8.626 7.679 -5.225 1.00 0.00 C ATOM 731 CZ TYR A 44 -9.079 7.913 -6.506 1.00 0.00 C ATOM 732 OH TYR A 44 -8.780 9.102 -7.131 1.00 0.00 O ATOM 0 H TYR A 44 -11.763 5.511 -3.055 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.926 3.722 -5.403 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.556 4.197 -3.568 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.558 3.384 -5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.713 5.026 -7.054 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.572 6.301 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.182 7.149 -8.168 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.039 8.426 -4.712 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.246 9.662 -6.530 1.00 0.00 H new ATOM 742 N LYS A 45 -11.333 2.854 -2.258 1.00 0.00 N ATOM 743 CA LYS A 45 -11.497 1.774 -1.292 1.00 0.00 C ATOM 744 C LYS A 45 -10.686 0.549 -1.701 1.00 0.00 C ATOM 745 O LYS A 45 -10.695 0.148 -2.865 1.00 0.00 O ATOM 746 CB LYS A 45 -12.976 1.403 -1.152 1.00 0.00 C ATOM 747 CG LYS A 45 -13.659 2.061 0.034 1.00 0.00 C ATOM 748 CD LYS A 45 -15.104 2.416 -0.281 1.00 0.00 C ATOM 749 CE LYS A 45 -16.028 2.073 0.878 1.00 0.00 C ATOM 750 NZ LYS A 45 -16.362 0.623 0.913 1.00 0.00 N ATOM 0 H LYS A 45 -10.882 3.689 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.128 2.124 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.501 1.685 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.063 0.321 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.627 1.390 0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.115 2.963 0.314 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.178 3.480 -0.504 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.425 1.880 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.554 2.359 1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.946 2.655 0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.993 0.431 1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.838 0.355 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.489 0.068 1.019 1.00 0.00 H new ATOM 764 N ASP A 46 -9.984 -0.040 -0.738 1.00 0.00 N ATOM 765 CA ASP A 46 -9.168 -1.220 -1.000 1.00 0.00 C ATOM 766 C ASP A 46 -10.040 -2.416 -1.363 1.00 0.00 C ATOM 767 O ASP A 46 -11.211 -2.480 -0.988 1.00 0.00 O ATOM 768 CB ASP A 46 -8.310 -1.551 0.222 1.00 0.00 C ATOM 769 CG ASP A 46 -7.361 -2.708 -0.034 1.00 0.00 C ATOM 770 OD1 ASP A 46 -6.572 -2.625 -0.998 1.00 0.00 O ATOM 771 OD2 ASP A 46 -7.410 -3.695 0.729 1.00 0.00 O ATOM 0 H ASP A 46 -9.964 0.280 0.230 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.516 -1.001 -1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.736 -0.670 0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.959 -1.796 1.063 1.00 0.00 H new ATOM 776 N HIS A 47 -9.463 -3.362 -2.096 1.00 0.00 N ATOM 777 CA HIS A 47 -10.189 -4.558 -2.511 1.00 0.00 C ATOM 778 C HIS A 47 -9.247 -5.570 -3.156 1.00 0.00 C ATOM 779 O HIS A 47 -8.188 -5.206 -3.669 1.00 0.00 O ATOM 780 CB HIS A 47 -11.307 -4.187 -3.488 1.00 0.00 C ATOM 781 CG HIS A 47 -10.843 -3.347 -4.636 1.00 0.00 C ATOM 782 ND1 HIS A 47 -11.038 -1.984 -4.700 1.00 0.00 N ATOM 783 CD2 HIS A 47 -10.188 -3.683 -5.774 1.00 0.00 C ATOM 784 CE1 HIS A 47 -10.525 -1.518 -5.825 1.00 0.00 C ATOM 785 NE2 HIS A 47 -10.002 -2.529 -6.494 1.00 0.00 N ATOM 0 H HIS A 47 -8.495 -3.324 -2.415 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.628 -5.013 -1.623 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -11.758 -5.101 -3.876 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -12.087 -3.651 -2.948 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -11.506 -1.422 -3.989 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -9.871 -4.675 -6.061 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.532 -0.486 -6.143 1.00 0.00 H new ATOM 794 N PRO A 48 -9.621 -6.861 -3.143 1.00 0.00 N ATOM 795 CA PRO A 48 -8.803 -7.927 -3.731 1.00 0.00 C ATOM 796 C PRO A 48 -8.677 -7.788 -5.244 1.00 0.00 C ATOM 797 O PRO A 48 -9.361 -6.970 -5.861 1.00 0.00 O ATOM 798 CB PRO A 48 -9.564 -9.207 -3.373 1.00 0.00 C ATOM 799 CG PRO A 48 -10.966 -8.767 -3.130 1.00 0.00 C ATOM 800 CD PRO A 48 -10.868 -7.383 -2.555 1.00 0.00 C ATOM 0 HA PRO A 48 -7.780 -7.908 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.514 -9.935 -4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.141 -9.683 -2.489 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.541 -8.766 -4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -11.473 -9.442 -2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.728 -6.772 -2.828 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.823 -7.402 -1.466 1.00 0.00 H new ATOM 808 N LEU A 49 -7.801 -8.591 -5.836 1.00 0.00 N ATOM 809 CA LEU A 49 -7.586 -8.559 -7.277 1.00 0.00 C ATOM 810 C LEU A 49 -8.247 -9.753 -7.955 1.00 0.00 C ATOM 811 O LEU A 49 -8.954 -9.603 -8.952 1.00 0.00 O ATOM 812 CB LEU A 49 -6.088 -8.543 -7.589 1.00 0.00 C ATOM 813 CG LEU A 49 -5.465 -7.151 -7.700 1.00 0.00 C ATOM 814 CD1 LEU A 49 -3.974 -7.207 -7.402 1.00 0.00 C ATOM 815 CD2 LEU A 49 -5.711 -6.567 -9.082 1.00 0.00 C ATOM 0 H LEU A 49 -7.228 -9.273 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.041 -7.648 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.564 -9.098 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.922 -9.075 -8.526 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.938 -6.503 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.548 -6.207 -7.486 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.819 -7.584 -6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.485 -7.871 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.261 -5.576 -9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.265 -7.216 -9.836 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.784 -6.490 -9.259 1.00 0.00 H new ATOM 827 N LYS A 50 -8.014 -10.942 -7.406 1.00 0.00 N ATOM 828 CA LYS A 50 -8.586 -12.166 -7.957 1.00 0.00 C ATOM 829 C LYS A 50 -8.057 -12.428 -9.363 1.00 0.00 C ATOM 830 O LYS A 50 -7.902 -11.505 -10.163 1.00 0.00 O ATOM 831 CB LYS A 50 -10.114 -12.076 -7.977 1.00 0.00 C ATOM 832 CG LYS A 50 -10.786 -12.923 -6.907 1.00 0.00 C ATOM 833 CD LYS A 50 -11.524 -12.063 -5.894 1.00 0.00 C ATOM 834 CE LYS A 50 -12.791 -11.466 -6.484 1.00 0.00 C ATOM 835 NZ LYS A 50 -12.637 -10.014 -6.780 1.00 0.00 N ATOM 0 H LYS A 50 -7.433 -11.083 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.289 -12.998 -7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.410 -11.035 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.476 -12.388 -8.957 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.486 -13.615 -7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.036 -13.526 -6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.777 -12.665 -5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.869 -11.262 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.050 -11.997 -7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.618 -11.609 -5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.569 -9.553 -6.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.014 -9.579 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.220 -9.895 -7.725 1.00 0.00 H new ATOM 849 N GLY A 51 -7.783 -13.696 -9.660 1.00 0.00 N ATOM 850 CA GLY A 51 -7.276 -14.058 -10.970 1.00 0.00 C ATOM 851 C GLY A 51 -5.846 -14.561 -10.918 1.00 0.00 C ATOM 852 O GLY A 51 -5.022 -14.195 -11.756 1.00 0.00 O ATOM 0 H GLY A 51 -7.903 -14.478 -9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.914 -14.829 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.330 -13.192 -11.629 1.00 0.00 H new ATOM 856 N GLY A 52 -5.552 -15.402 -9.932 1.00 0.00 N ATOM 857 CA GLY A 52 -4.213 -15.942 -9.792 1.00 0.00 C ATOM 858 C GLY A 52 -3.393 -15.200 -8.756 1.00 0.00 C ATOM 859 O GLY A 52 -2.554 -15.793 -8.078 1.00 0.00 O ATOM 0 H GLY A 52 -6.218 -15.719 -9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.276 -16.994 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.704 -15.896 -10.755 1.00 0.00 H new ATOM 863 N LEU A 53 -3.637 -13.900 -8.632 1.00 0.00 N ATOM 864 CA LEU A 53 -2.914 -13.073 -7.671 1.00 0.00 C ATOM 865 C LEU A 53 -3.849 -12.577 -6.571 1.00 0.00 C ATOM 866 O LEU A 53 -4.055 -11.374 -6.411 1.00 0.00 O ATOM 867 CB LEU A 53 -2.261 -11.886 -8.380 1.00 0.00 C ATOM 868 CG LEU A 53 -1.484 -12.237 -9.649 1.00 0.00 C ATOM 869 CD1 LEU A 53 -1.138 -10.977 -10.428 1.00 0.00 C ATOM 870 CD2 LEU A 53 -0.223 -13.015 -9.303 1.00 0.00 C ATOM 0 H LEU A 53 -4.330 -13.395 -9.185 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.136 -13.684 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.036 -11.164 -8.635 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.584 -11.393 -7.682 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.115 -12.866 -10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.585 -11.246 -11.328 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.055 -10.458 -10.707 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.525 -10.323 -9.808 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.318 -13.257 -10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.412 -12.410 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.494 -13.936 -8.788 1.00 0.00 H new ATOM 882 N LYS A 54 -4.412 -13.513 -5.814 1.00 0.00 N ATOM 883 CA LYS A 54 -5.323 -13.174 -4.728 1.00 0.00 C ATOM 884 C LYS A 54 -4.586 -12.459 -3.600 1.00 0.00 C ATOM 885 O LYS A 54 -5.091 -11.491 -3.031 1.00 0.00 O ATOM 886 CB LYS A 54 -6.001 -14.435 -4.190 1.00 0.00 C ATOM 887 CG LYS A 54 -6.903 -15.121 -5.205 1.00 0.00 C ATOM 888 CD LYS A 54 -6.675 -16.624 -5.231 1.00 0.00 C ATOM 889 CE LYS A 54 -5.790 -17.036 -6.397 1.00 0.00 C ATOM 890 NZ LYS A 54 -6.583 -17.603 -7.522 1.00 0.00 N ATOM 0 H LYS A 54 -4.253 -14.513 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.084 -12.501 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.235 -15.138 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.590 -14.174 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.946 -14.915 -4.964 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.717 -14.707 -6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.214 -16.939 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.634 -17.137 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.227 -16.171 -6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.062 -17.773 -6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.943 -17.872 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.100 -18.443 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.260 -16.891 -7.863 1.00 0.00 H new ATOM 904 N ASP A 55 -3.390 -12.944 -3.282 1.00 0.00 N ATOM 905 CA ASP A 55 -2.582 -12.350 -2.222 1.00 0.00 C ATOM 906 C ASP A 55 -2.272 -10.888 -2.527 1.00 0.00 C ATOM 907 O ASP A 55 -2.137 -10.069 -1.618 1.00 0.00 O ATOM 908 CB ASP A 55 -1.281 -13.134 -2.045 1.00 0.00 C ATOM 909 CG ASP A 55 -1.525 -14.581 -1.666 1.00 0.00 C ATOM 910 OD1 ASP A 55 -2.216 -14.822 -0.654 1.00 0.00 O ATOM 911 OD2 ASP A 55 -1.023 -15.473 -2.382 1.00 0.00 O ATOM 0 H ASP A 55 -2.959 -13.746 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.154 -12.394 -1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.708 -13.096 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.674 -12.657 -1.275 1.00 0.00 H new ATOM 916 N PHE A 56 -2.160 -10.568 -3.811 1.00 0.00 N ATOM 917 CA PHE A 56 -1.866 -9.205 -4.238 1.00 0.00 C ATOM 918 C PHE A 56 -3.095 -8.313 -4.092 1.00 0.00 C ATOM 919 O PHE A 56 -4.220 -8.741 -4.352 1.00 0.00 O ATOM 920 CB PHE A 56 -1.382 -9.195 -5.690 1.00 0.00 C ATOM 921 CG PHE A 56 0.111 -9.083 -5.824 1.00 0.00 C ATOM 922 CD1 PHE A 56 0.920 -10.194 -5.656 1.00 0.00 C ATOM 923 CD2 PHE A 56 0.702 -7.865 -6.119 1.00 0.00 C ATOM 924 CE1 PHE A 56 2.294 -10.092 -5.780 1.00 0.00 C ATOM 925 CE2 PHE A 56 2.075 -7.757 -6.244 1.00 0.00 C ATOM 926 CZ PHE A 56 2.871 -8.873 -6.074 1.00 0.00 C ATOM 0 H PHE A 56 -2.268 -11.235 -4.575 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.076 -8.812 -3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.715 -10.109 -6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.849 -8.362 -6.215 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.474 -11.150 -5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.083 -6.990 -6.253 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.915 -10.966 -5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.524 -6.802 -6.474 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.944 -8.792 -6.171 1.00 0.00 H new ATOM 936 N ARG A 57 -2.871 -7.072 -3.675 1.00 0.00 N ATOM 937 CA ARG A 57 -3.958 -6.117 -3.492 1.00 0.00 C ATOM 938 C ARG A 57 -3.442 -4.685 -3.576 1.00 0.00 C ATOM 939 O ARG A 57 -2.276 -4.417 -3.285 1.00 0.00 O ATOM 940 CB ARG A 57 -4.645 -6.346 -2.144 1.00 0.00 C ATOM 941 CG ARG A 57 -5.139 -7.770 -1.948 1.00 0.00 C ATOM 942 CD ARG A 57 -6.017 -7.893 -0.713 1.00 0.00 C ATOM 943 NE ARG A 57 -5.725 -9.104 0.049 1.00 0.00 N ATOM 944 CZ ARG A 57 -6.551 -9.631 0.949 1.00 0.00 C ATOM 945 NH1 ARG A 57 -7.722 -9.059 1.203 1.00 0.00 N ATOM 946 NH2 ARG A 57 -6.207 -10.736 1.599 1.00 0.00 N ATOM 0 H ARG A 57 -1.945 -6.703 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.683 -6.271 -4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.948 -6.099 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.489 -5.662 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.701 -8.085 -2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.286 -8.442 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.871 -7.020 -0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.065 -7.897 -1.013 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.835 -9.574 -0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.993 -8.210 0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.350 -9.469 1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.309 -11.181 1.409 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.840 -11.140 2.289 1.00 0.00 H new ATOM 960 N GLU A 58 -4.316 -3.769 -3.979 1.00 0.00 N ATOM 961 CA GLU A 58 -3.947 -2.364 -4.104 1.00 0.00 C ATOM 962 C GLU A 58 -4.974 -1.466 -3.423 1.00 0.00 C ATOM 963 O GLU A 58 -6.158 -1.796 -3.361 1.00 0.00 O ATOM 964 CB GLU A 58 -3.816 -1.981 -5.579 1.00 0.00 C ATOM 965 CG GLU A 58 -3.355 -0.549 -5.796 1.00 0.00 C ATOM 966 CD GLU A 58 -4.494 0.383 -6.161 1.00 0.00 C ATOM 967 OE1 GLU A 58 -5.597 0.218 -5.598 1.00 0.00 O ATOM 968 OE2 GLU A 58 -4.283 1.276 -7.007 1.00 0.00 O ATOM 0 H GLU A 58 -5.284 -3.974 -4.225 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.986 -2.222 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.110 -2.658 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.779 -2.122 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.870 -0.186 -4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.606 -0.529 -6.588 1.00 0.00 H new ATOM 975 N CYS A 59 -4.511 -0.329 -2.915 1.00 0.00 N ATOM 976 CA CYS A 59 -5.387 0.620 -2.240 1.00 0.00 C ATOM 977 C CYS A 59 -5.026 2.053 -2.618 1.00 0.00 C ATOM 978 O CYS A 59 -4.185 2.282 -3.488 1.00 0.00 O ATOM 979 CB CYS A 59 -5.301 0.440 -0.724 1.00 0.00 C ATOM 980 SG CYS A 59 -3.676 0.819 -0.025 1.00 0.00 S ATOM 0 H CYS A 59 -3.533 -0.043 -2.958 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.410 0.425 -2.561 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.046 1.079 -0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.560 -0.589 -0.476 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.704 0.639 1.262 1.00 0.00 H new ATOM 986 N HIS A 60 -5.664 3.014 -1.959 1.00 0.00 N ATOM 987 CA HIS A 60 -5.406 4.425 -2.229 1.00 0.00 C ATOM 988 C HIS A 60 -5.356 5.228 -0.933 1.00 0.00 C ATOM 989 O HIS A 60 -6.355 5.815 -0.517 1.00 0.00 O ATOM 990 CB HIS A 60 -6.484 4.992 -3.153 1.00 0.00 C ATOM 991 CG HIS A 60 -6.317 4.590 -4.585 1.00 0.00 C ATOM 992 ND1 HIS A 60 -6.826 3.544 -5.278 1.00 0.00 N flip ATOM 993 CD2 HIS A 60 -5.545 5.301 -5.482 1.00 0.00 C flip ATOM 994 CE1 HIS A 60 -6.356 3.640 -6.564 1.00 0.00 C flip ATOM 995 NE2 HIS A 60 -5.587 4.708 -6.663 1.00 0.00 N flip ATOM 0 H HIS A 60 -6.362 2.843 -1.235 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.436 4.504 -2.720 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.462 4.661 -2.803 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.473 6.080 -3.086 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -7.444 2.819 -4.912 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.993 6.201 -5.255 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.580 2.952 -7.366 1.00 0.00 H new ATOM 1004 N LEU A 61 -4.187 5.252 -0.303 1.00 0.00 N ATOM 1005 CA LEU A 61 -4.009 5.988 0.944 1.00 0.00 C ATOM 1006 C LEU A 61 -4.185 7.486 0.719 1.00 0.00 C ATOM 1007 O LEU A 61 -4.799 8.178 1.530 1.00 0.00 O ATOM 1008 CB LEU A 61 -2.626 5.707 1.535 1.00 0.00 C ATOM 1009 CG LEU A 61 -1.450 5.987 0.593 1.00 0.00 C ATOM 1010 CD1 LEU A 61 -0.821 7.334 0.912 1.00 0.00 C ATOM 1011 CD2 LEU A 61 -0.414 4.877 0.689 1.00 0.00 C ATOM 0 H LEU A 61 -3.350 4.772 -0.634 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.770 5.652 1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.503 6.310 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.585 4.662 1.843 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.827 6.017 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.012 7.516 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.566 8.121 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.458 7.332 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.414 5.092 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.041 4.815 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.871 3.927 0.411 1.00 0.00 H new ATOM 1023 N LYS A 62 -3.642 7.979 -0.391 1.00 0.00 N ATOM 1024 CA LYS A 62 -3.742 9.395 -0.725 1.00 0.00 C ATOM 1025 C LYS A 62 -4.802 9.626 -1.801 1.00 0.00 C ATOM 1026 O LYS A 62 -5.264 8.683 -2.442 1.00 0.00 O ATOM 1027 CB LYS A 62 -2.387 9.924 -1.200 1.00 0.00 C ATOM 1028 CG LYS A 62 -1.636 10.713 -0.141 1.00 0.00 C ATOM 1029 CD LYS A 62 -0.146 10.770 -0.438 1.00 0.00 C ATOM 1030 CE LYS A 62 0.418 12.162 -0.196 1.00 0.00 C ATOM 1031 NZ LYS A 62 1.898 12.139 -0.032 1.00 0.00 N ATOM 0 H LYS A 62 -3.129 7.419 -1.073 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.040 9.937 0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.771 9.084 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.540 10.558 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.036 11.726 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.796 10.256 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.379 10.050 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.031 10.480 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.155 12.811 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.040 12.590 0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.305 13.009 -0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.134 12.078 0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.290 11.314 -0.530 1.00 0.00 H new ATOM 1045 N PRO A 63 -5.202 10.893 -2.014 1.00 0.00 N ATOM 1046 CA PRO A 63 -6.214 11.244 -3.017 1.00 0.00 C ATOM 1047 C PRO A 63 -5.723 11.016 -4.444 1.00 0.00 C ATOM 1048 O PRO A 63 -6.509 11.042 -5.392 1.00 0.00 O ATOM 1049 CB PRO A 63 -6.464 12.734 -2.769 1.00 0.00 C ATOM 1050 CG PRO A 63 -5.220 13.226 -2.117 1.00 0.00 C ATOM 1051 CD PRO A 63 -4.702 12.079 -1.294 1.00 0.00 C ATOM 0 HA PRO A 63 -7.108 10.628 -2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.657 13.263 -3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.333 12.888 -2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.486 13.535 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.425 14.094 -1.491 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.614 12.085 -1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.076 12.116 -0.271 1.00 0.00 H new ATOM 1059 N ASP A 64 -4.422 10.792 -4.592 1.00 0.00 N ATOM 1060 CA ASP A 64 -3.827 10.559 -5.903 1.00 0.00 C ATOM 1061 C ASP A 64 -2.548 9.738 -5.774 1.00 0.00 C ATOM 1062 O ASP A 64 -1.496 10.122 -6.286 1.00 0.00 O ATOM 1063 CB ASP A 64 -3.531 11.890 -6.597 1.00 0.00 C ATOM 1064 CG ASP A 64 -4.668 12.338 -7.495 1.00 0.00 C ATOM 1065 OD1 ASP A 64 -5.286 11.473 -8.150 1.00 0.00 O ATOM 1066 OD2 ASP A 64 -4.941 13.557 -7.543 1.00 0.00 O ATOM 0 H ASP A 64 -3.758 10.767 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.539 9.998 -6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.343 12.655 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.620 11.794 -7.188 1.00 0.00 H new ATOM 1071 N LEU A 65 -2.645 8.608 -5.083 1.00 0.00 N ATOM 1072 CA LEU A 65 -1.494 7.736 -4.881 1.00 0.00 C ATOM 1073 C LEU A 65 -1.934 6.286 -4.691 1.00 0.00 C ATOM 1074 O LEU A 65 -2.781 5.991 -3.849 1.00 0.00 O ATOM 1075 CB LEU A 65 -0.688 8.201 -3.665 1.00 0.00 C ATOM 1076 CG LEU A 65 0.819 8.323 -3.894 1.00 0.00 C ATOM 1077 CD1 LEU A 65 1.149 9.614 -4.629 1.00 0.00 C ATOM 1078 CD2 LEU A 65 1.562 8.254 -2.567 1.00 0.00 C ATOM 0 H LEU A 65 -3.508 8.274 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.866 7.790 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.071 9.170 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.860 7.503 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 65 1.143 7.488 -4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.226 9.681 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.645 9.622 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.813 10.466 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.634 8.342 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.233 9.069 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.352 7.301 -2.082 1.00 0.00 H new ATOM 1090 N LEU A 66 -1.347 5.388 -5.475 1.00 0.00 N ATOM 1091 CA LEU A 66 -1.675 3.970 -5.387 1.00 0.00 C ATOM 1092 C LEU A 66 -0.768 3.274 -4.380 1.00 0.00 C ATOM 1093 O LEU A 66 0.249 3.828 -3.963 1.00 0.00 O ATOM 1094 CB LEU A 66 -1.541 3.293 -6.755 1.00 0.00 C ATOM 1095 CG LEU A 66 -1.802 4.195 -7.967 1.00 0.00 C ATOM 1096 CD1 LEU A 66 -0.524 4.402 -8.765 1.00 0.00 C ATOM 1097 CD2 LEU A 66 -2.894 3.606 -8.848 1.00 0.00 C ATOM 0 H LEU A 66 -0.643 5.616 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.709 3.886 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.535 2.882 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.234 2.452 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.141 5.166 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.730 5.045 -9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.229 4.871 -8.131 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.154 3.439 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.065 4.261 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.586 2.622 -9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.815 3.513 -8.273 1.00 0.00 H new ATOM 1109 N LEU A 67 -1.135 2.058 -3.996 1.00 0.00 N ATOM 1110 CA LEU A 67 -0.343 1.294 -3.042 1.00 0.00 C ATOM 1111 C LEU A 67 -0.645 -0.195 -3.128 1.00 0.00 C ATOM 1112 O LEU A 67 -1.612 -0.680 -2.541 1.00 0.00 O ATOM 1113 CB LEU A 67 -0.586 1.788 -1.617 1.00 0.00 C ATOM 1114 CG LEU A 67 0.028 0.900 -0.534 1.00 0.00 C ATOM 1115 CD1 LEU A 67 1.547 0.900 -0.630 1.00 0.00 C ATOM 1116 CD2 LEU A 67 -0.430 1.343 0.848 1.00 0.00 C ATOM 0 H LEU A 67 -1.973 1.581 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 67 0.705 1.446 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.180 2.795 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.660 1.859 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.318 -0.121 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.961 0.262 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.850 0.522 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.920 1.916 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.018 0.698 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.121 2.374 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.516 1.275 0.911 1.00 0.00 H new ATOM 1128 N VAL A 68 0.209 -0.920 -3.839 1.00 0.00 N ATOM 1129 CA VAL A 68 0.056 -2.359 -3.974 1.00 0.00 C ATOM 1130 C VAL A 68 0.910 -3.066 -2.930 1.00 0.00 C ATOM 1131 O VAL A 68 2.112 -2.827 -2.838 1.00 0.00 O ATOM 1132 CB VAL A 68 0.461 -2.846 -5.377 1.00 0.00 C ATOM 1133 CG1 VAL A 68 0.089 -4.309 -5.564 1.00 0.00 C ATOM 1134 CG2 VAL A 68 -0.185 -1.983 -6.452 1.00 0.00 C ATOM 0 H VAL A 68 1.015 -0.533 -4.331 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.997 -2.596 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 68 1.543 -2.755 -5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.383 -4.635 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.605 -4.914 -4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.988 -4.428 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.114 -2.344 -7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.270 -2.038 -6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.138 -0.949 -6.331 1.00 0.00 H new ATOM 1144 N TYR A 69 0.286 -3.920 -2.129 1.00 0.00 N ATOM 1145 CA TYR A 69 1.007 -4.636 -1.084 1.00 0.00 C ATOM 1146 C TYR A 69 0.519 -6.073 -0.952 1.00 0.00 C ATOM 1147 O TYR A 69 -0.559 -6.426 -1.432 1.00 0.00 O ATOM 1148 CB TYR A 69 0.853 -3.912 0.254 1.00 0.00 C ATOM 1149 CG TYR A 69 -0.581 -3.788 0.718 1.00 0.00 C ATOM 1150 CD1 TYR A 69 -1.300 -4.907 1.121 1.00 0.00 C ATOM 1151 CD2 TYR A 69 -1.216 -2.553 0.756 1.00 0.00 C ATOM 1152 CE1 TYR A 69 -2.611 -4.798 1.548 1.00 0.00 C ATOM 1153 CE2 TYR A 69 -2.526 -2.436 1.180 1.00 0.00 C ATOM 1154 CZ TYR A 69 -3.218 -3.561 1.575 1.00 0.00 C ATOM 1155 OH TYR A 69 -4.524 -3.450 1.996 1.00 0.00 O ATOM 0 H TYR A 69 -0.710 -4.133 -2.182 1.00 0.00 H new ATOM 0 HA TYR A 69 2.060 -4.661 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.426 -4.445 1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.285 -2.915 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.827 -5.878 1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.677 -1.669 0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.156 -5.677 1.858 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.005 -1.468 1.202 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.125 -3.563 1.230 1.00 0.00 H new ATOM 1165 N GLN A 70 1.323 -6.894 -0.287 1.00 0.00 N ATOM 1166 CA GLN A 70 0.989 -8.297 -0.069 1.00 0.00 C ATOM 1167 C GLN A 70 1.422 -8.736 1.326 1.00 0.00 C ATOM 1168 O GLN A 70 2.612 -8.891 1.597 1.00 0.00 O ATOM 1169 CB GLN A 70 1.660 -9.173 -1.127 1.00 0.00 C ATOM 1170 CG GLN A 70 1.202 -10.624 -1.095 1.00 0.00 C ATOM 1171 CD GLN A 70 1.993 -11.505 -2.043 1.00 0.00 C ATOM 1172 OE1 GLN A 70 2.452 -11.054 -3.092 1.00 0.00 O ATOM 1173 NE2 GLN A 70 2.154 -12.771 -1.677 1.00 0.00 N ATOM 0 H GLN A 70 2.217 -6.610 0.113 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.092 -8.412 -0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.455 -8.758 -2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.740 -9.138 -0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.299 -11.010 -0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.145 -10.674 -1.355 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.756 -13.102 -0.798 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.676 -13.412 -2.275 1.00 0.00 H new ATOM 1182 N ILE A 71 0.448 -8.932 2.211 1.00 0.00 N ATOM 1183 CA ILE A 71 0.734 -9.348 3.580 1.00 0.00 C ATOM 1184 C ILE A 71 0.880 -10.864 3.672 1.00 0.00 C ATOM 1185 O ILE A 71 0.211 -11.609 2.955 1.00 0.00 O ATOM 1186 CB ILE A 71 -0.372 -8.878 4.556 1.00 0.00 C ATOM 1187 CG1 ILE A 71 -0.313 -7.359 4.738 1.00 0.00 C ATOM 1188 CG2 ILE A 71 -0.237 -9.574 5.905 1.00 0.00 C ATOM 1189 CD1 ILE A 71 -0.497 -6.585 3.453 1.00 0.00 C ATOM 0 H ILE A 71 -0.543 -8.810 2.005 1.00 0.00 H new ATOM 0 HA ILE A 71 1.676 -8.880 3.866 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.338 -9.144 4.127 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.084 -7.057 5.447 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.648 -7.092 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.025 -9.227 6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.325 -10.652 5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.735 -9.341 6.339 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.443 -5.516 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.289 -6.858 2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.470 -6.822 3.022 1.00 0.00 H new ATOM 1201 N LYS A 72 1.758 -11.311 4.564 1.00 0.00 N ATOM 1202 CA LYS A 72 1.995 -12.735 4.758 1.00 0.00 C ATOM 1203 C LYS A 72 1.681 -13.143 6.194 1.00 0.00 C ATOM 1204 O LYS A 72 2.450 -12.857 7.113 1.00 0.00 O ATOM 1205 CB LYS A 72 3.445 -13.087 4.420 1.00 0.00 C ATOM 1206 CG LYS A 72 4.459 -12.095 4.969 1.00 0.00 C ATOM 1207 CD LYS A 72 5.034 -11.214 3.869 1.00 0.00 C ATOM 1208 CE LYS A 72 6.533 -11.019 4.036 1.00 0.00 C ATOM 1209 NZ LYS A 72 7.243 -12.309 4.245 1.00 0.00 N ATOM 0 H LYS A 72 2.318 -10.705 5.164 1.00 0.00 H new ATOM 0 HA LYS A 72 1.333 -13.283 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.670 -14.078 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.553 -13.142 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.984 -11.470 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.267 -12.635 5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.831 -11.664 2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.537 -10.244 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.935 -10.523 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.721 -10.360 4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.162 -12.282 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.394 -12.461 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.670 -13.087 3.860 1.00 0.00 H new ATOM 1223 N LYS A 73 0.547 -13.808 6.381 1.00 0.00 N ATOM 1224 CA LYS A 73 0.128 -14.254 7.704 1.00 0.00 C ATOM 1225 C LYS A 73 1.155 -15.203 8.317 1.00 0.00 C ATOM 1226 O LYS A 73 1.195 -15.383 9.534 1.00 0.00 O ATOM 1227 CB LYS A 73 -1.235 -14.946 7.623 1.00 0.00 C ATOM 1228 CG LYS A 73 -2.407 -13.977 7.594 1.00 0.00 C ATOM 1229 CD LYS A 73 -2.977 -13.750 8.984 1.00 0.00 C ATOM 1230 CE LYS A 73 -4.271 -12.953 8.933 1.00 0.00 C ATOM 1231 NZ LYS A 73 -4.020 -11.485 8.982 1.00 0.00 N ATOM 0 H LYS A 73 -0.100 -14.051 5.631 1.00 0.00 H new ATOM 0 HA LYS A 73 0.048 -13.375 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.265 -15.567 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.346 -15.613 8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.083 -13.025 7.173 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.186 -14.367 6.939 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.159 -14.711 9.465 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.246 -13.221 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.813 -13.199 8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.908 -13.241 9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.926 -10.976 8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.525 -11.247 9.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.433 -11.206 8.170 1.00 0.00 H new ATOM 1245 N GLN A 74 1.984 -15.807 7.469 1.00 0.00 N ATOM 1246 CA GLN A 74 3.008 -16.738 7.932 1.00 0.00 C ATOM 1247 C GLN A 74 3.864 -16.112 9.030 1.00 0.00 C ATOM 1248 O GLN A 74 4.320 -16.800 9.944 1.00 0.00 O ATOM 1249 CB GLN A 74 3.897 -17.171 6.764 1.00 0.00 C ATOM 1250 CG GLN A 74 4.856 -18.298 7.114 1.00 0.00 C ATOM 1251 CD GLN A 74 4.138 -19.555 7.563 1.00 0.00 C ATOM 1252 OE1 GLN A 74 4.382 -20.067 8.657 1.00 0.00 O ATOM 1253 NE2 GLN A 74 3.247 -20.063 6.719 1.00 0.00 N ATOM 0 H GLN A 74 1.966 -15.668 6.459 1.00 0.00 H new ATOM 0 HA GLN A 74 2.505 -17.613 8.345 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.264 -17.488 5.935 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.471 -16.312 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.474 -18.527 6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.528 -17.966 7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.076 -19.607 5.823 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.734 -20.909 6.967 1.00 0.00 H new ATOM 1262 N GLU A 75 4.078 -14.804 8.934 1.00 0.00 N ATOM 1263 CA GLU A 75 4.879 -14.087 9.922 1.00 0.00 C ATOM 1264 C GLU A 75 4.329 -12.683 10.168 1.00 0.00 C ATOM 1265 O GLU A 75 5.025 -11.825 10.712 1.00 0.00 O ATOM 1266 CB GLU A 75 6.336 -14.002 9.461 1.00 0.00 C ATOM 1267 CG GLU A 75 6.491 -13.683 7.983 1.00 0.00 C ATOM 1268 CD GLU A 75 7.928 -13.793 7.510 1.00 0.00 C ATOM 1269 OE1 GLU A 75 8.812 -13.192 8.154 1.00 0.00 O ATOM 1270 OE2 GLU A 75 8.168 -14.479 6.494 1.00 0.00 O ATOM 0 H GLU A 75 3.709 -14.219 8.184 1.00 0.00 H new ATOM 0 HA GLU A 75 4.829 -14.642 10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.849 -13.237 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.831 -14.950 9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.868 -14.362 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.126 -12.674 7.793 1.00 0.00 H new ATOM 1277 N ASN A 76 3.081 -12.452 9.767 1.00 0.00 N ATOM 1278 CA ASN A 76 2.444 -11.150 9.948 1.00 0.00 C ATOM 1279 C ASN A 76 3.362 -10.018 9.496 1.00 0.00 C ATOM 1280 O ASN A 76 3.941 -9.307 10.318 1.00 0.00 O ATOM 1281 CB ASN A 76 2.053 -10.952 11.416 1.00 0.00 C ATOM 1282 CG ASN A 76 0.574 -11.182 11.655 1.00 0.00 C ATOM 1283 OD1 ASN A 76 -0.132 -11.710 10.797 1.00 0.00 O ATOM 1284 ND2 ASN A 76 0.096 -10.785 12.830 1.00 0.00 N ATOM 0 H ASN A 76 2.491 -13.150 9.314 1.00 0.00 H new ATOM 0 HA ASN A 76 1.546 -11.127 9.331 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.630 -11.636 12.038 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.316 -9.941 11.726 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.892 -10.914 13.049 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.717 -10.351 13.513 1.00 0.00 H new ATOM 1291 N THR A 77 3.496 -9.858 8.183 1.00 0.00 N ATOM 1292 CA THR A 77 4.347 -8.815 7.623 1.00 0.00 C ATOM 1293 C THR A 77 3.637 -8.080 6.489 1.00 0.00 C ATOM 1294 O THR A 77 2.823 -8.661 5.772 1.00 0.00 O ATOM 1295 CB THR A 77 5.656 -9.422 7.114 1.00 0.00 C ATOM 1296 OG1 THR A 77 6.386 -10.004 8.179 1.00 0.00 O ATOM 1297 CG2 THR A 77 6.563 -8.419 6.434 1.00 0.00 C ATOM 0 H THR A 77 3.026 -10.437 7.487 1.00 0.00 H new ATOM 0 HA THR A 77 4.567 -8.096 8.412 1.00 0.00 H new ATOM 0 HB THR A 77 5.357 -10.171 6.380 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.219 -10.388 7.833 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.472 -8.919 6.099 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.049 -7.987 5.576 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.823 -7.628 7.137 1.00 0.00 H new ATOM 1305 N LEU A 78 3.956 -6.798 6.334 1.00 0.00 N ATOM 1306 CA LEU A 78 3.355 -5.981 5.285 1.00 0.00 C ATOM 1307 C LEU A 78 4.369 -5.691 4.182 1.00 0.00 C ATOM 1308 O LEU A 78 5.133 -4.730 4.264 1.00 0.00 O ATOM 1309 CB LEU A 78 2.830 -4.667 5.869 1.00 0.00 C ATOM 1310 CG LEU A 78 1.537 -4.150 5.237 1.00 0.00 C ATOM 1311 CD1 LEU A 78 0.888 -3.103 6.129 1.00 0.00 C ATOM 1312 CD2 LEU A 78 1.812 -3.580 3.854 1.00 0.00 C ATOM 0 H LEU A 78 4.627 -6.303 6.921 1.00 0.00 H new ATOM 0 HA LEU A 78 2.521 -6.536 4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.666 -4.802 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.601 -3.904 5.759 1.00 0.00 H new ATOM 0 HG LEU A 78 0.846 -4.986 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.031 -2.747 5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.656 -3.544 7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.573 -2.267 6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.881 -3.217 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.521 -2.756 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.231 -4.358 3.216 1.00 0.00 H new ATOM 1324 N PHE A 79 4.372 -6.534 3.155 1.00 0.00 N ATOM 1325 CA PHE A 79 5.293 -6.376 2.037 1.00 0.00 C ATOM 1326 C PHE A 79 4.682 -5.500 0.944 1.00 0.00 C ATOM 1327 O PHE A 79 3.800 -5.938 0.205 1.00 0.00 O ATOM 1328 CB PHE A 79 5.670 -7.751 1.473 1.00 0.00 C ATOM 1329 CG PHE A 79 6.370 -7.700 0.142 1.00 0.00 C ATOM 1330 CD1 PHE A 79 7.342 -6.744 -0.112 1.00 0.00 C ATOM 1331 CD2 PHE A 79 6.054 -8.610 -0.854 1.00 0.00 C ATOM 1332 CE1 PHE A 79 7.985 -6.700 -1.335 1.00 0.00 C ATOM 1333 CE2 PHE A 79 6.693 -8.569 -2.078 1.00 0.00 C ATOM 1334 CZ PHE A 79 7.660 -7.612 -2.319 1.00 0.00 C ATOM 0 H PHE A 79 3.745 -7.335 3.074 1.00 0.00 H new ATOM 0 HA PHE A 79 6.194 -5.881 2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.313 -8.262 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.765 -8.351 1.373 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.599 -6.027 0.653 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.299 -9.360 -0.671 1.00 0.00 H new ATOM 0 HE1 PHE A 79 8.742 -5.952 -1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.437 -9.284 -2.846 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.161 -7.578 -3.275 1.00 0.00 H new ATOM 1344 N LEU A 80 5.161 -4.265 0.846 1.00 0.00 N ATOM 1345 CA LEU A 80 4.668 -3.330 -0.159 1.00 0.00 C ATOM 1346 C LEU A 80 5.024 -3.815 -1.561 1.00 0.00 C ATOM 1347 O LEU A 80 5.635 -4.871 -1.725 1.00 0.00 O ATOM 1348 CB LEU A 80 5.254 -1.937 0.077 1.00 0.00 C ATOM 1349 CG LEU A 80 4.970 -1.341 1.457 1.00 0.00 C ATOM 1350 CD1 LEU A 80 6.167 -0.544 1.953 1.00 0.00 C ATOM 1351 CD2 LEU A 80 3.726 -0.468 1.415 1.00 0.00 C ATOM 0 H LEU A 80 5.891 -3.888 1.451 1.00 0.00 H new ATOM 0 HA LEU A 80 3.583 -3.275 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.333 -1.984 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.861 -1.261 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 80 4.792 -2.160 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.945 -0.128 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.036 -1.198 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.379 0.266 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.539 -0.053 2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.875 0.344 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.870 -1.069 1.106 1.00 0.00 H new ATOM 1363 N VAL A 81 4.640 -3.041 -2.569 1.00 0.00 N ATOM 1364 CA VAL A 81 4.921 -3.400 -3.955 1.00 0.00 C ATOM 1365 C VAL A 81 4.965 -2.164 -4.848 1.00 0.00 C ATOM 1366 O VAL A 81 5.982 -1.880 -5.480 1.00 0.00 O ATOM 1367 CB VAL A 81 3.870 -4.393 -4.499 1.00 0.00 C ATOM 1368 CG1 VAL A 81 4.182 -4.784 -5.937 1.00 0.00 C ATOM 1369 CG2 VAL A 81 3.795 -5.624 -3.610 1.00 0.00 C ATOM 0 H VAL A 81 4.134 -2.163 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 81 5.900 -3.879 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 81 2.898 -3.900 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.427 -5.484 -6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.179 -3.893 -6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.164 -5.256 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.050 -6.314 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.768 -6.115 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.513 -5.327 -2.600 1.00 0.00 H new ATOM 1379 N ARG A 82 3.858 -1.429 -4.896 1.00 0.00 N ATOM 1380 CA ARG A 82 3.779 -0.223 -5.714 1.00 0.00 C ATOM 1381 C ARG A 82 3.649 1.020 -4.838 1.00 0.00 C ATOM 1382 O ARG A 82 3.368 0.923 -3.643 1.00 0.00 O ATOM 1383 CB ARG A 82 2.595 -0.311 -6.680 1.00 0.00 C ATOM 1384 CG ARG A 82 2.963 0.010 -8.120 1.00 0.00 C ATOM 1385 CD ARG A 82 2.553 1.425 -8.503 1.00 0.00 C ATOM 1386 NE ARG A 82 1.663 1.440 -9.662 1.00 0.00 N ATOM 1387 CZ ARG A 82 2.026 1.046 -10.880 1.00 0.00 C ATOM 1388 NH1 ARG A 82 3.258 0.608 -11.105 1.00 0.00 N ATOM 1389 NH2 ARG A 82 1.153 1.090 -11.877 1.00 0.00 N ATOM 0 H ARG A 82 3.006 -1.646 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 82 4.701 -0.143 -6.291 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.174 -1.315 -6.636 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.815 0.376 -6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.038 -0.107 -8.256 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.478 -0.703 -8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.056 1.900 -7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.444 2.014 -8.722 1.00 0.00 H new ATOM 0 HE ARG A 82 0.708 1.772 -9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.934 0.572 -10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 82 3.529 0.308 -12.041 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.204 1.426 -11.710 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.430 0.788 -12.811 1.00 0.00 H new ATOM 1403 N LEU A 83 3.858 2.186 -5.440 1.00 0.00 N ATOM 1404 CA LEU A 83 3.766 3.449 -4.717 1.00 0.00 C ATOM 1405 C LEU A 83 3.998 4.631 -5.652 1.00 0.00 C ATOM 1406 O LEU A 83 5.138 4.970 -5.968 1.00 0.00 O ATOM 1407 CB LEU A 83 4.785 3.482 -3.574 1.00 0.00 C ATOM 1408 CG LEU A 83 4.348 4.265 -2.334 1.00 0.00 C ATOM 1409 CD1 LEU A 83 3.968 5.688 -2.707 1.00 0.00 C ATOM 1410 CD2 LEU A 83 3.186 3.564 -1.645 1.00 0.00 C ATOM 0 H LEU A 83 4.093 2.282 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 83 2.761 3.528 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.007 2.457 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.713 3.914 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 83 5.187 4.306 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.660 6.229 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.826 6.188 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.145 5.669 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.887 4.134 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.344 3.492 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.493 2.563 -1.342 1.00 0.00 H new ATOM 1422 N GLY A 84 2.909 5.253 -6.095 1.00 0.00 N ATOM 1423 CA GLY A 84 3.018 6.389 -6.991 1.00 0.00 C ATOM 1424 C GLY A 84 1.698 6.729 -7.656 1.00 0.00 C ATOM 1425 O GLY A 84 0.636 6.321 -7.188 1.00 0.00 O ATOM 0 H GLY A 84 1.954 4.990 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.375 7.255 -6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.763 6.174 -7.757 1.00 0.00 H new ATOM 1429 N SER A 85 1.767 7.478 -8.751 1.00 0.00 N ATOM 1430 CA SER A 85 0.570 7.873 -9.483 1.00 0.00 C ATOM 1431 C SER A 85 0.645 7.420 -10.937 1.00 0.00 C ATOM 1432 O SER A 85 1.733 7.223 -11.480 1.00 0.00 O ATOM 1433 CB SER A 85 0.387 9.390 -9.419 1.00 0.00 C ATOM 1434 OG SER A 85 1.638 10.053 -9.354 1.00 0.00 O ATOM 0 H SER A 85 2.639 7.824 -9.151 1.00 0.00 H new ATOM 0 HA SER A 85 -0.287 7.389 -9.015 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.163 9.730 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.212 9.651 -8.546 1.00 0.00 H new ATOM 0 HG SER A 85 1.493 11.022 -9.316 1.00 0.00 H new ATOM 1440 N HIS A 86 -0.515 7.256 -11.563 1.00 0.00 N ATOM 1441 CA HIS A 86 -0.580 6.826 -12.954 1.00 0.00 C ATOM 1442 C HIS A 86 -0.065 7.918 -13.888 1.00 0.00 C ATOM 1443 O HIS A 86 0.500 7.630 -14.941 1.00 0.00 O ATOM 1444 CB HIS A 86 -2.016 6.453 -13.330 1.00 0.00 C ATOM 1445 CG HIS A 86 -2.104 5.430 -14.418 1.00 0.00 C ATOM 1446 ND1 HIS A 86 -2.957 5.547 -15.496 1.00 0.00 N ATOM 1447 CD2 HIS A 86 -1.438 4.265 -14.595 1.00 0.00 C ATOM 1448 CE1 HIS A 86 -2.812 4.497 -16.285 1.00 0.00 C ATOM 1449 NE2 HIS A 86 -1.896 3.705 -15.762 1.00 0.00 N ATOM 0 H HIS A 86 -1.424 7.415 -11.128 1.00 0.00 H new ATOM 0 HA HIS A 86 0.057 5.948 -13.065 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -2.528 6.075 -12.445 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.546 7.352 -13.645 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -0.685 3.852 -13.939 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.352 4.318 -17.203 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -1.579 2.821 -16.160 1.00 0.00 H new ATOM 1458 N SER A 87 -0.264 9.170 -13.491 1.00 0.00 N ATOM 1459 CA SER A 87 0.182 10.303 -14.292 1.00 0.00 C ATOM 1460 C SER A 87 1.695 10.477 -14.196 1.00 0.00 C ATOM 1461 O SER A 87 2.348 10.864 -15.165 1.00 0.00 O ATOM 1462 CB SER A 87 -0.518 11.585 -13.835 1.00 0.00 C ATOM 1463 OG SER A 87 -0.375 12.616 -14.798 1.00 0.00 O ATOM 0 H SER A 87 -0.731 9.425 -12.621 1.00 0.00 H new ATOM 0 HA SER A 87 -0.078 10.104 -15.332 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.576 11.385 -13.666 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.100 11.912 -12.883 1.00 0.00 H new ATOM 0 HG SER A 87 -0.832 13.424 -14.483 1.00 0.00 H new ATOM 1469 N GLU A 88 2.244 10.186 -13.022 1.00 0.00 N ATOM 1470 CA GLU A 88 3.679 10.308 -12.798 1.00 0.00 C ATOM 1471 C GLU A 88 4.432 9.150 -13.448 1.00 0.00 C ATOM 1472 O GLU A 88 5.317 9.362 -14.279 1.00 0.00 O ATOM 1473 CB GLU A 88 3.982 10.350 -11.298 1.00 0.00 C ATOM 1474 CG GLU A 88 5.270 11.084 -10.959 1.00 0.00 C ATOM 1475 CD GLU A 88 5.039 12.290 -10.069 1.00 0.00 C ATOM 1476 OE1 GLU A 88 4.082 13.048 -10.335 1.00 0.00 O ATOM 1477 OE2 GLU A 88 5.814 12.477 -9.108 1.00 0.00 O ATOM 0 H GLU A 88 1.717 9.864 -12.211 1.00 0.00 H new ATOM 0 HA GLU A 88 4.014 11.239 -13.255 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.152 10.832 -10.781 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.044 9.330 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.955 10.397 -10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.754 11.405 -11.881 1.00 0.00 H new ATOM 1484 N LEU A 89 4.076 7.929 -13.064 1.00 0.00 N ATOM 1485 CA LEU A 89 4.717 6.740 -13.611 1.00 0.00 C ATOM 1486 C LEU A 89 4.511 6.654 -15.119 1.00 0.00 C ATOM 1487 O LEU A 89 5.447 6.843 -15.896 1.00 0.00 O ATOM 1488 CB LEU A 89 4.165 5.482 -12.937 1.00 0.00 C ATOM 1489 CG LEU A 89 4.808 5.132 -11.593 1.00 0.00 C ATOM 1490 CD1 LEU A 89 4.062 5.811 -10.455 1.00 0.00 C ATOM 1491 CD2 LEU A 89 4.834 3.625 -11.392 1.00 0.00 C ATOM 0 H LEU A 89 3.347 7.737 -12.376 1.00 0.00 H new ATOM 0 HA LEU A 89 5.786 6.812 -13.413 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.093 5.609 -12.787 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.294 4.638 -13.615 1.00 0.00 H new ATOM 0 HG LEU A 89 5.836 5.495 -11.596 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.532 5.552 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.094 6.892 -10.593 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.025 5.477 -10.449 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.294 3.394 -10.431 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.815 3.238 -11.408 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.411 3.161 -12.192 1.00 0.00 H new ATOM 1503 N PHE A 90 3.278 6.369 -15.527 1.00 0.00 N ATOM 1504 CA PHE A 90 2.948 6.259 -16.944 1.00 0.00 C ATOM 1505 C PHE A 90 3.047 7.618 -17.631 1.00 0.00 C ATOM 1506 O PHE A 90 2.496 7.758 -18.744 1.00 0.00 O ATOM 1507 CB PHE A 90 1.540 5.684 -17.116 1.00 0.00 C ATOM 1508 CG PHE A 90 1.526 4.291 -17.673 1.00 0.00 C ATOM 1509 CD1 PHE A 90 1.855 3.206 -16.875 1.00 0.00 C ATOM 1510 CD2 PHE A 90 1.182 4.062 -18.997 1.00 0.00 C ATOM 1511 CE1 PHE A 90 1.843 1.923 -17.386 1.00 0.00 C ATOM 1512 CE2 PHE A 90 1.169 2.781 -19.513 1.00 0.00 C ATOM 1513 CZ PHE A 90 1.500 1.710 -18.707 1.00 0.00 C ATOM 0 H PHE A 90 2.492 6.210 -14.897 1.00 0.00 H new ATOM 0 HA PHE A 90 3.666 5.585 -17.411 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.035 5.686 -16.150 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.968 6.336 -17.776 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.124 3.366 -15.841 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.921 4.896 -19.632 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.102 1.087 -16.753 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.900 2.617 -20.546 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.491 0.708 -19.109 1.00 0.00 H new TER 1523 PHE A 90