USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 933 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 53 LYS NZ :NH3+ -159:sc= 0.528 (180deg=-0.0107) USER MOD Set 1.2: A 71 ASN : amide:sc= -0.472 K(o=0.056,f=-7!) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0536 (180deg=-0.413) USER MOD Single : A 1 MET N :NH3+ -149:sc= 0.77 (180deg=0.189) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.243 K(o=-0.24,f=-12!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.202 USER MOD Single : A 19 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.12) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.04) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc=-0.00398 (180deg=-0.177) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.887 K(o=0.89,f=-4.2!) USER MOD Single : A 41 HIS : no HD1:sc=-0.00843 X(o=-0.0084,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -109:sc= -0.745 USER MOD Single : A 47 TYR OH : rot 73:sc= 1.27 USER MOD Single : A 48 SER OG : rot 180:sc= 0.357 USER MOD Single : A 49 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.32) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -53:sc= 1.53 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.777 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.97 K(o=-2,f=-3.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 75 TYR OH : rot -58:sc= 0.181 USER MOD Single : A 82 ASN : amide:sc= -4.28! C(o=-4.3!,f=-8.7!) USER MOD Single : A 83 ASN : amide:sc= -0.0495 X(o=-0.05,f=0.22) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.693 X(o=-0.69,f=-0.26) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -147:sc= -0.304 (180deg=-1.53!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.927 K(o=-0.93,f=-0.0058) USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= 1.23 (180deg=0.874) USER MOD Single : A 100 SER OG : rot 77:sc= 1.24 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.525 15.230 -5.638 1.00 0.00 N ATOM 2 CA MET A 1 1.066 14.979 -5.627 1.00 0.00 C ATOM 3 C MET A 1 0.793 13.483 -5.553 1.00 0.00 C ATOM 4 O MET A 1 1.627 12.674 -5.958 1.00 0.00 O ATOM 5 CB MET A 1 0.406 15.574 -6.876 1.00 0.00 C ATOM 6 CG MET A 1 0.579 17.082 -6.997 1.00 0.00 C ATOM 7 SD MET A 1 -0.275 17.780 -8.425 1.00 0.00 S ATOM 8 CE MET A 1 -1.988 17.534 -7.961 1.00 0.00 C ATOM 0 H1 MET A 1 2.724 16.141 -5.177 1.00 0.00 H new ATOM 0 H2 MET A 1 3.012 14.468 -5.124 1.00 0.00 H new ATOM 0 H3 MET A 1 2.865 15.257 -6.620 1.00 0.00 H new ATOM 0 HA MET A 1 0.639 15.462 -4.748 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.826 15.096 -7.761 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.658 15.339 -6.861 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.207 17.558 -6.090 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.641 17.315 -7.067 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.626 18.168 -8.577 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.259 16.489 -8.112 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.122 17.795 -6.911 1.00 0.00 H new ATOM 20 N ILE A 2 -0.367 13.117 -5.026 1.00 0.00 N ATOM 21 CA ILE A 2 -0.729 11.715 -4.853 1.00 0.00 C ATOM 22 C ILE A 2 -2.111 11.448 -5.442 1.00 0.00 C ATOM 23 O ILE A 2 -2.937 12.357 -5.531 1.00 0.00 O ATOM 24 CB ILE A 2 -0.732 11.316 -3.361 1.00 0.00 C ATOM 25 CG1 ILE A 2 -1.791 12.119 -2.594 1.00 0.00 C ATOM 26 CG2 ILE A 2 0.646 11.535 -2.759 1.00 0.00 C ATOM 27 CD1 ILE A 2 -1.913 11.737 -1.133 1.00 0.00 C ATOM 0 H ILE A 2 -1.078 13.775 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 2 0.018 11.117 -5.375 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.982 10.258 -3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.549 13.180 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.758 11.981 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.633 11.251 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.376 10.925 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.919 12.587 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.681 12.349 -0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.187 10.685 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.959 11.902 -0.633 1.00 0.00 H new ATOM 39 N ARG A 3 -2.359 10.215 -5.851 1.00 0.00 N ATOM 40 CA ARG A 3 -3.619 9.840 -6.421 1.00 0.00 C ATOM 41 C ARG A 3 -4.168 8.586 -5.761 1.00 0.00 C ATOM 42 O ARG A 3 -3.465 7.875 -5.048 1.00 0.00 O ATOM 43 CB ARG A 3 -3.441 9.580 -7.894 1.00 0.00 C ATOM 44 CG ARG A 3 -3.517 10.816 -8.771 1.00 0.00 C ATOM 45 CD ARG A 3 -3.190 10.480 -10.216 1.00 0.00 C ATOM 46 NE ARG A 3 -1.832 9.954 -10.357 1.00 0.00 N ATOM 47 CZ ARG A 3 -1.464 9.066 -11.281 1.00 0.00 C ATOM 48 NH1 ARG A 3 -2.347 8.609 -12.161 1.00 0.00 N ATOM 49 NH2 ARG A 3 -0.206 8.639 -11.323 1.00 0.00 N ATOM 0 H ARG A 3 -1.684 9.453 -5.792 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.324 10.656 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.475 9.100 -8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.205 8.873 -8.219 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.516 11.247 -8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.822 11.570 -8.403 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.905 9.747 -10.589 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.300 11.373 -10.831 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.121 10.288 -9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.312 8.937 -12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.060 7.930 -12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 3 0.475 8.991 -10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 3 0.079 7.960 -12.029 1.00 0.00 H new ATOM 63 N PHE A 4 -5.422 8.321 -6.034 1.00 0.00 N ATOM 64 CA PHE A 4 -6.118 7.167 -5.492 1.00 0.00 C ATOM 65 C PHE A 4 -6.973 6.563 -6.593 1.00 0.00 C ATOM 66 O PHE A 4 -7.957 7.167 -7.019 1.00 0.00 O ATOM 67 CB PHE A 4 -7.012 7.582 -4.319 1.00 0.00 C ATOM 68 CG PHE A 4 -6.306 8.388 -3.264 1.00 0.00 C ATOM 69 CD1 PHE A 4 -5.543 7.765 -2.292 1.00 0.00 C ATOM 70 CD2 PHE A 4 -6.407 9.772 -3.248 1.00 0.00 C ATOM 71 CE1 PHE A 4 -4.892 8.507 -1.325 1.00 0.00 C ATOM 72 CE2 PHE A 4 -5.759 10.516 -2.283 1.00 0.00 C ATOM 73 CZ PHE A 4 -5.000 9.884 -1.321 1.00 0.00 C ATOM 0 H PHE A 4 -5.998 8.902 -6.643 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.391 6.440 -5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.851 8.162 -4.703 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.428 6.686 -3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.456 6.689 -2.289 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.000 10.273 -3.999 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.298 8.010 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.846 11.592 -2.281 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.491 10.464 -0.566 1.00 0.00 H new ATOM 83 N GLU A 5 -6.597 5.389 -7.057 1.00 0.00 N ATOM 84 CA GLU A 5 -7.274 4.769 -8.179 1.00 0.00 C ATOM 85 C GLU A 5 -7.923 3.489 -7.741 1.00 0.00 C ATOM 86 O GLU A 5 -7.437 2.389 -7.994 1.00 0.00 O ATOM 87 CB GLU A 5 -6.298 4.502 -9.328 1.00 0.00 C ATOM 88 CG GLU A 5 -5.666 5.754 -9.908 1.00 0.00 C ATOM 89 CD GLU A 5 -6.686 6.690 -10.516 1.00 0.00 C ATOM 90 OE1 GLU A 5 -6.626 7.902 -10.236 1.00 0.00 O ATOM 91 OE2 GLU A 5 -7.565 6.212 -11.267 1.00 0.00 O ATOM 0 H GLU A 5 -5.825 4.844 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.041 5.454 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.508 3.840 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.825 3.972 -10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.119 6.278 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.939 5.471 -10.669 1.00 0.00 H new ATOM 98 N ILE A 6 -9.049 3.649 -7.113 1.00 0.00 N ATOM 99 CA ILE A 6 -9.772 2.542 -6.572 1.00 0.00 C ATOM 100 C ILE A 6 -10.833 2.098 -7.556 1.00 0.00 C ATOM 101 O ILE A 6 -11.614 2.904 -8.063 1.00 0.00 O ATOM 102 CB ILE A 6 -10.461 2.949 -5.268 1.00 0.00 C ATOM 103 CG1 ILE A 6 -9.415 3.322 -4.210 1.00 0.00 C ATOM 104 CG2 ILE A 6 -11.387 1.824 -4.764 1.00 0.00 C ATOM 105 CD1 ILE A 6 -9.981 4.058 -3.012 1.00 0.00 C ATOM 0 H ILE A 6 -9.492 4.555 -6.962 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.071 1.730 -6.380 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.080 3.825 -5.459 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.923 2.413 -3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.649 3.942 -4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.866 2.136 -3.836 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.150 1.617 -5.515 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.801 0.923 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.177 4.285 -2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.448 4.986 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.726 3.433 -2.519 1.00 0.00 H new ATOM 117 N HIS A 7 -10.824 0.830 -7.836 1.00 0.00 N ATOM 118 CA HIS A 7 -11.890 0.199 -8.573 1.00 0.00 C ATOM 119 C HIS A 7 -12.649 -0.662 -7.622 1.00 0.00 C ATOM 120 O HIS A 7 -12.317 -1.834 -7.430 1.00 0.00 O ATOM 121 CB HIS A 7 -11.376 -0.679 -9.691 1.00 0.00 C ATOM 122 CG HIS A 7 -11.020 0.073 -10.937 1.00 0.00 C ATOM 123 ND1 HIS A 7 -11.772 0.030 -12.089 1.00 0.00 N ATOM 124 CD2 HIS A 7 -9.980 0.901 -11.202 1.00 0.00 C ATOM 125 CE1 HIS A 7 -11.213 0.798 -13.007 1.00 0.00 C ATOM 126 NE2 HIS A 7 -10.124 1.338 -12.495 1.00 0.00 N ATOM 0 H HIS A 7 -10.075 0.195 -7.560 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.508 0.980 -9.017 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.497 -1.220 -9.341 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.134 -1.425 -9.932 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.185 1.168 -10.521 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.585 0.957 -14.008 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.493 1.976 -12.980 1.00 0.00 H new ATOM 135 N GLY A 8 -13.642 -0.106 -6.996 1.00 0.00 N ATOM 136 CA GLY A 8 -14.262 -0.855 -5.973 1.00 0.00 C ATOM 137 C GLY A 8 -15.705 -1.207 -6.280 1.00 0.00 C ATOM 138 O GLY A 8 -16.561 -0.324 -6.349 1.00 0.00 O ATOM 0 H GLY A 8 -14.020 0.825 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.697 -1.773 -5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.223 -0.289 -5.043 1.00 0.00 H new ATOM 142 N ASP A 9 -15.979 -2.491 -6.459 1.00 0.00 N ATOM 143 CA ASP A 9 -17.341 -2.958 -6.688 1.00 0.00 C ATOM 144 C ASP A 9 -17.905 -3.512 -5.384 1.00 0.00 C ATOM 145 O ASP A 9 -17.882 -4.718 -5.134 1.00 0.00 O ATOM 146 CB ASP A 9 -17.372 -4.032 -7.780 1.00 0.00 C ATOM 147 CG ASP A 9 -18.772 -4.284 -8.313 1.00 0.00 C ATOM 148 OD1 ASP A 9 -19.536 -5.042 -7.680 1.00 0.00 O ATOM 149 OD2 ASP A 9 -19.112 -3.727 -9.380 1.00 0.00 O ATOM 0 H ASP A 9 -15.276 -3.230 -6.450 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.953 -2.121 -7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.724 -3.728 -8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.966 -4.962 -7.381 1.00 0.00 H new ATOM 154 N ASN A 10 -18.392 -2.616 -4.547 1.00 0.00 N ATOM 155 CA ASN A 10 -18.851 -2.976 -3.215 1.00 0.00 C ATOM 156 C ASN A 10 -20.301 -2.546 -3.032 1.00 0.00 C ATOM 157 O ASN A 10 -20.711 -1.490 -3.512 1.00 0.00 O ATOM 158 CB ASN A 10 -17.959 -2.283 -2.174 1.00 0.00 C ATOM 159 CG ASN A 10 -18.153 -2.791 -0.750 1.00 0.00 C ATOM 160 OD1 ASN A 10 -19.217 -3.275 -0.379 1.00 0.00 O ATOM 161 ND2 ASN A 10 -17.117 -2.669 0.065 1.00 0.00 N ATOM 0 H ASN A 10 -18.481 -1.624 -4.767 1.00 0.00 H new ATOM 0 HA ASN A 10 -18.790 -4.056 -3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.915 -2.419 -2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -18.158 -1.212 -2.196 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.190 -2.982 1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.246 -2.262 -0.275 1.00 0.00 H new ATOM 168 N LEU A 11 -21.074 -3.378 -2.349 1.00 0.00 N ATOM 169 CA LEU A 11 -22.457 -3.059 -2.024 1.00 0.00 C ATOM 170 C LEU A 11 -22.514 -1.885 -1.047 1.00 0.00 C ATOM 171 O LEU A 11 -23.527 -1.195 -0.942 1.00 0.00 O ATOM 172 CB LEU A 11 -23.147 -4.285 -1.420 1.00 0.00 C ATOM 173 CG LEU A 11 -24.631 -4.114 -1.089 1.00 0.00 C ATOM 174 CD1 LEU A 11 -25.443 -3.891 -2.357 1.00 0.00 C ATOM 175 CD2 LEU A 11 -25.148 -5.326 -0.330 1.00 0.00 C ATOM 0 H LEU A 11 -20.763 -4.287 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.978 -2.775 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -23.042 -5.118 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -22.620 -4.563 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.742 -3.235 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -26.495 -3.772 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -25.089 -2.992 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -25.327 -4.749 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.205 -5.189 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -25.022 -6.219 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -24.588 -5.440 0.598 1.00 0.00 H new ATOM 187 N THR A 12 -21.420 -1.673 -0.329 1.00 0.00 N ATOM 188 CA THR A 12 -21.314 -0.565 0.604 1.00 0.00 C ATOM 189 C THR A 12 -20.048 0.254 0.340 1.00 0.00 C ATOM 190 O THR A 12 -18.994 -0.007 0.920 1.00 0.00 O ATOM 191 CB THR A 12 -21.301 -1.069 2.061 1.00 0.00 C ATOM 192 OG1 THR A 12 -22.429 -1.925 2.292 1.00 0.00 O ATOM 193 CG2 THR A 12 -21.338 0.097 3.042 1.00 0.00 C ATOM 0 H THR A 12 -20.588 -2.261 -0.377 1.00 0.00 H new ATOM 0 HA THR A 12 -22.187 0.070 0.455 1.00 0.00 H new ATOM 0 HB THR A 12 -20.378 -1.627 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.414 -2.243 3.219 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.328 -0.286 4.063 1.00 0.00 H new ATOM 0 HG22 THR A 12 -20.467 0.733 2.884 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.246 0.679 2.882 1.00 0.00 H new ATOM 201 N ILE A 13 -20.146 1.226 -0.556 1.00 0.00 N ATOM 202 CA ILE A 13 -19.052 2.160 -0.787 1.00 0.00 C ATOM 203 C ILE A 13 -19.543 3.594 -0.697 1.00 0.00 C ATOM 204 O ILE A 13 -20.550 3.965 -1.302 1.00 0.00 O ATOM 205 CB ILE A 13 -18.321 1.937 -2.136 1.00 0.00 C ATOM 206 CG1 ILE A 13 -19.225 1.269 -3.182 1.00 0.00 C ATOM 207 CG2 ILE A 13 -17.053 1.127 -1.920 1.00 0.00 C ATOM 208 CD1 ILE A 13 -20.236 2.201 -3.818 1.00 0.00 C ATOM 0 H ILE A 13 -20.970 1.389 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 13 -18.324 1.967 0.001 1.00 0.00 H new ATOM 0 HB ILE A 13 -18.052 2.917 -2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -18.600 0.841 -3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -19.756 0.442 -2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.550 0.978 -2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -16.390 1.663 -1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -17.309 0.159 -1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -20.833 1.649 -4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -20.889 2.610 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -19.714 3.015 -4.321 1.00 0.00 H new ATOM 220 N THR A 14 -18.847 4.388 0.094 1.00 0.00 N ATOM 221 CA THR A 14 -19.209 5.775 0.287 1.00 0.00 C ATOM 222 C THR A 14 -17.971 6.608 0.610 1.00 0.00 C ATOM 223 O THR A 14 -16.845 6.100 0.567 1.00 0.00 O ATOM 224 CB THR A 14 -20.279 5.920 1.399 1.00 0.00 C ATOM 225 OG1 THR A 14 -20.656 7.291 1.583 1.00 0.00 O ATOM 226 CG2 THR A 14 -19.786 5.339 2.716 1.00 0.00 C ATOM 0 H THR A 14 -18.022 4.091 0.616 1.00 0.00 H new ATOM 0 HA THR A 14 -19.642 6.148 -0.641 1.00 0.00 H new ATOM 0 HB THR A 14 -21.156 5.359 1.076 1.00 0.00 H new ATOM 0 HG1 THR A 14 -21.333 7.352 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 14 -20.558 5.455 3.477 1.00 0.00 H new ATOM 0 HG22 THR A 14 -19.562 4.280 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.884 5.865 3.031 1.00 0.00 H new ATOM 234 N ASP A 15 -18.184 7.866 0.951 1.00 0.00 N ATOM 235 CA ASP A 15 -17.095 8.797 1.232 1.00 0.00 C ATOM 236 C ASP A 15 -16.284 8.338 2.446 1.00 0.00 C ATOM 237 O ASP A 15 -15.089 8.600 2.535 1.00 0.00 O ATOM 238 CB ASP A 15 -17.663 10.200 1.457 1.00 0.00 C ATOM 239 CG ASP A 15 -16.591 11.253 1.643 1.00 0.00 C ATOM 240 OD1 ASP A 15 -15.833 11.515 0.684 1.00 0.00 O ATOM 241 OD2 ASP A 15 -16.529 11.851 2.736 1.00 0.00 O ATOM 0 H ASP A 15 -19.114 8.275 1.042 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.422 8.821 0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.288 10.473 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.308 10.188 2.336 1.00 0.00 H new ATOM 246 N ALA A 16 -16.947 7.626 3.353 1.00 0.00 N ATOM 247 CA ALA A 16 -16.317 7.064 4.554 1.00 0.00 C ATOM 248 C ALA A 16 -15.018 6.343 4.245 1.00 0.00 C ATOM 249 O ALA A 16 -13.952 6.728 4.711 1.00 0.00 O ATOM 250 CB ALA A 16 -17.255 6.065 5.190 1.00 0.00 C ATOM 0 H ALA A 16 -17.943 7.419 3.279 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.102 7.900 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.790 5.646 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.185 6.563 5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.468 5.264 4.482 1.00 0.00 H new ATOM 256 N ILE A 17 -15.134 5.282 3.471 1.00 0.00 N ATOM 257 CA ILE A 17 -14.000 4.446 3.120 1.00 0.00 C ATOM 258 C ILE A 17 -13.000 5.233 2.311 1.00 0.00 C ATOM 259 O ILE A 17 -11.796 5.115 2.504 1.00 0.00 O ATOM 260 CB ILE A 17 -14.457 3.245 2.288 1.00 0.00 C ATOM 261 CG1 ILE A 17 -15.239 2.251 3.149 1.00 0.00 C ATOM 262 CG2 ILE A 17 -13.279 2.547 1.615 1.00 0.00 C ATOM 263 CD1 ILE A 17 -16.704 2.592 3.322 1.00 0.00 C ATOM 0 H ILE A 17 -16.018 4.974 3.066 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.540 4.100 4.046 1.00 0.00 H new ATOM 0 HB ILE A 17 -15.115 3.624 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.159 1.260 2.702 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.773 2.195 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.642 1.700 1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.769 3.249 0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.583 2.193 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.182 1.836 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.797 3.568 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.189 2.618 2.346 1.00 0.00 H new ATOM 275 N ARG A 18 -13.524 6.031 1.392 1.00 0.00 N ATOM 276 CA ARG A 18 -12.680 6.843 0.565 1.00 0.00 C ATOM 277 C ARG A 18 -11.793 7.692 1.471 1.00 0.00 C ATOM 278 O ARG A 18 -10.581 7.759 1.294 1.00 0.00 O ATOM 279 CB ARG A 18 -13.507 7.730 -0.366 1.00 0.00 C ATOM 280 CG ARG A 18 -12.664 8.665 -1.215 1.00 0.00 C ATOM 281 CD ARG A 18 -13.527 9.574 -2.069 1.00 0.00 C ATOM 282 NE ARG A 18 -12.729 10.566 -2.785 1.00 0.00 N ATOM 283 CZ ARG A 18 -13.200 11.341 -3.759 1.00 0.00 C ATOM 284 NH1 ARG A 18 -14.456 11.213 -4.169 1.00 0.00 N ATOM 285 NH2 ARG A 18 -12.408 12.237 -4.328 1.00 0.00 N ATOM 0 H ARG A 18 -14.523 6.125 1.210 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.064 6.202 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.106 7.097 -1.021 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.203 8.321 0.230 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.027 9.269 -0.569 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.005 8.080 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.089 8.974 -2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.256 10.082 -1.437 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.749 10.671 -2.522 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.065 10.518 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.812 11.810 -4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.440 12.331 -4.019 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.766 12.833 -5.075 1.00 0.00 H new ATOM 299 N ASN A 19 -12.435 8.304 2.470 1.00 0.00 N ATOM 300 CA ASN A 19 -11.740 8.983 3.556 1.00 0.00 C ATOM 301 C ASN A 19 -10.760 8.032 4.223 1.00 0.00 C ATOM 302 O ASN A 19 -9.568 8.280 4.227 1.00 0.00 O ATOM 303 CB ASN A 19 -12.740 9.491 4.604 1.00 0.00 C ATOM 304 CG ASN A 19 -13.389 10.816 4.254 1.00 0.00 C ATOM 305 OD1 ASN A 19 -14.534 11.065 4.624 1.00 0.00 O ATOM 306 ND2 ASN A 19 -12.663 11.688 3.568 1.00 0.00 N ATOM 0 H ASN A 19 -13.452 8.340 2.544 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.200 9.832 3.136 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.520 8.742 4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.227 9.592 5.560 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -13.052 12.601 3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.716 11.446 3.278 1.00 0.00 H new ATOM 313 N TYR A 20 -11.287 6.924 4.744 1.00 0.00 N ATOM 314 CA TYR A 20 -10.500 5.908 5.453 1.00 0.00 C ATOM 315 C TYR A 20 -9.194 5.599 4.715 1.00 0.00 C ATOM 316 O TYR A 20 -8.116 5.530 5.320 1.00 0.00 O ATOM 317 CB TYR A 20 -11.325 4.616 5.582 1.00 0.00 C ATOM 318 CG TYR A 20 -11.000 3.770 6.797 1.00 0.00 C ATOM 319 CD1 TYR A 20 -9.694 3.614 7.246 1.00 0.00 C ATOM 320 CD2 TYR A 20 -12.012 3.116 7.489 1.00 0.00 C ATOM 321 CE1 TYR A 20 -9.410 2.836 8.352 1.00 0.00 C ATOM 322 CE2 TYR A 20 -11.734 2.336 8.595 1.00 0.00 C ATOM 323 CZ TYR A 20 -10.432 2.200 9.023 1.00 0.00 C ATOM 324 OH TYR A 20 -10.151 1.430 10.130 1.00 0.00 O ATOM 0 H TYR A 20 -12.281 6.702 4.687 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.254 6.299 6.440 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.382 4.879 5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.172 4.014 4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.889 4.108 6.723 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.034 3.219 7.156 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.390 2.727 8.690 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.533 1.836 9.121 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.983 1.053 10.486 1.00 0.00 H new ATOM 334 N ILE A 21 -9.286 5.484 3.396 1.00 0.00 N ATOM 335 CA ILE A 21 -8.183 5.026 2.605 1.00 0.00 C ATOM 336 C ILE A 21 -7.321 6.210 2.333 1.00 0.00 C ATOM 337 O ILE A 21 -6.097 6.121 2.278 1.00 0.00 O ATOM 338 CB ILE A 21 -8.662 4.442 1.267 1.00 0.00 C ATOM 339 CG1 ILE A 21 -9.613 3.261 1.495 1.00 0.00 C ATOM 340 CG2 ILE A 21 -7.483 4.022 0.395 1.00 0.00 C ATOM 341 CD1 ILE A 21 -9.024 2.150 2.337 1.00 0.00 C ATOM 0 H ILE A 21 -10.125 5.707 2.861 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.646 4.242 3.140 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.208 5.225 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.520 3.626 1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.908 2.853 0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.853 3.613 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.855 4.889 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.898 3.264 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.758 1.352 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.133 1.756 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.756 2.541 3.319 1.00 0.00 H new ATOM 353 N GLU A 22 -7.985 7.344 2.221 1.00 0.00 N ATOM 354 CA GLU A 22 -7.309 8.542 1.866 1.00 0.00 C ATOM 355 C GLU A 22 -6.427 8.980 3.022 1.00 0.00 C ATOM 356 O GLU A 22 -5.345 9.530 2.837 1.00 0.00 O ATOM 357 CB GLU A 22 -8.289 9.651 1.482 1.00 0.00 C ATOM 358 CG GLU A 22 -7.616 10.906 0.953 1.00 0.00 C ATOM 359 CD GLU A 22 -8.604 11.997 0.610 1.00 0.00 C ATOM 360 OE1 GLU A 22 -8.821 12.892 1.452 1.00 0.00 O ATOM 361 OE2 GLU A 22 -9.168 11.967 -0.502 1.00 0.00 O ATOM 0 H GLU A 22 -8.989 7.445 2.373 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.691 8.345 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.975 9.271 0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.889 9.911 2.354 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.914 11.279 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.035 10.655 0.065 1.00 0.00 H new ATOM 368 N GLU A 23 -6.908 8.700 4.220 1.00 0.00 N ATOM 369 CA GLU A 23 -6.210 9.053 5.438 1.00 0.00 C ATOM 370 C GLU A 23 -5.158 8.007 5.769 1.00 0.00 C ATOM 371 O GLU A 23 -4.092 8.339 6.266 1.00 0.00 O ATOM 372 CB GLU A 23 -7.212 9.182 6.577 1.00 0.00 C ATOM 373 CG GLU A 23 -8.451 9.956 6.172 1.00 0.00 C ATOM 374 CD GLU A 23 -9.470 10.062 7.285 1.00 0.00 C ATOM 375 OE1 GLU A 23 -10.203 9.083 7.530 1.00 0.00 O ATOM 376 OE2 GLU A 23 -9.541 11.130 7.926 1.00 0.00 O ATOM 0 H GLU A 23 -7.795 8.221 4.373 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.705 10.008 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.503 8.188 6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.736 9.680 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.160 10.958 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.911 9.471 5.311 1.00 0.00 H new ATOM 383 N LYS A 24 -5.454 6.742 5.491 1.00 0.00 N ATOM 384 CA LYS A 24 -4.479 5.679 5.689 1.00 0.00 C ATOM 385 C LYS A 24 -3.269 5.906 4.769 1.00 0.00 C ATOM 386 O LYS A 24 -2.137 6.037 5.226 1.00 0.00 O ATOM 387 CB LYS A 24 -5.158 4.339 5.398 1.00 0.00 C ATOM 388 CG LYS A 24 -4.398 3.116 5.881 1.00 0.00 C ATOM 389 CD LYS A 24 -5.230 1.856 5.683 1.00 0.00 C ATOM 390 CE LYS A 24 -4.598 0.640 6.342 1.00 0.00 C ATOM 391 NZ LYS A 24 -4.581 0.746 7.825 1.00 0.00 N ATOM 0 H LYS A 24 -6.356 6.430 5.130 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.117 5.677 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.145 4.341 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.310 4.252 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.458 3.027 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.146 3.230 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.227 2.013 6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.351 1.667 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.148 -0.255 6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.578 0.521 5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.400 -0.191 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.831 1.404 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.501 1.099 8.158 1.00 0.00 H new ATOM 405 N ILE A 25 -3.558 5.979 3.470 1.00 0.00 N ATOM 406 CA ILE A 25 -2.551 6.278 2.469 1.00 0.00 C ATOM 407 C ILE A 25 -1.993 7.669 2.722 1.00 0.00 C ATOM 408 O ILE A 25 -0.820 7.933 2.487 1.00 0.00 O ATOM 409 CB ILE A 25 -3.126 6.203 1.032 1.00 0.00 C ATOM 410 CG1 ILE A 25 -3.773 4.836 0.768 1.00 0.00 C ATOM 411 CG2 ILE A 25 -2.040 6.483 -0.002 1.00 0.00 C ATOM 412 CD1 ILE A 25 -2.828 3.662 0.898 1.00 0.00 C ATOM 0 H ILE A 25 -4.493 5.832 3.090 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.762 5.531 2.549 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.896 6.969 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.601 4.699 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.197 4.836 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.467 6.425 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.631 7.480 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.245 5.744 0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.367 2.737 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.012 3.771 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.423 3.632 1.909 1.00 0.00 H new ATOM 424 N GLY A 26 -2.849 8.553 3.224 1.00 0.00 N ATOM 425 CA GLY A 26 -2.406 9.864 3.636 1.00 0.00 C ATOM 426 C GLY A 26 -1.402 9.803 4.769 1.00 0.00 C ATOM 427 O GLY A 26 -0.484 10.613 4.826 1.00 0.00 O ATOM 0 H GLY A 26 -3.846 8.380 3.352 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.959 10.378 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.267 10.454 3.948 1.00 0.00 H new ATOM 431 N LYS A 27 -1.545 8.817 5.652 1.00 0.00 N ATOM 432 CA LYS A 27 -0.632 8.675 6.763 1.00 0.00 C ATOM 433 C LYS A 27 0.644 8.095 6.229 1.00 0.00 C ATOM 434 O LYS A 27 1.738 8.390 6.710 1.00 0.00 O ATOM 435 CB LYS A 27 -1.207 7.772 7.859 1.00 0.00 C ATOM 436 CG LYS A 27 -1.698 8.525 9.086 1.00 0.00 C ATOM 437 CD LYS A 27 -2.863 9.441 8.755 1.00 0.00 C ATOM 438 CE LYS A 27 -3.317 10.229 9.973 1.00 0.00 C ATOM 439 NZ LYS A 27 -3.793 9.339 11.066 1.00 0.00 N ATOM 0 H LYS A 27 -2.282 8.113 5.613 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.458 9.650 7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.034 7.196 7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.443 7.058 8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.002 7.812 9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.880 9.113 9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.571 10.130 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.695 8.849 8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.492 10.841 10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.117 10.911 9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.278 9.907 11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.453 8.635 10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.981 8.852 11.496 1.00 0.00 H new ATOM 453 N LEU A 28 0.485 7.272 5.205 1.00 0.00 N ATOM 454 CA LEU A 28 1.632 6.705 4.523 1.00 0.00 C ATOM 455 C LEU A 28 2.374 7.770 3.713 1.00 0.00 C ATOM 456 O LEU A 28 3.595 7.711 3.553 1.00 0.00 O ATOM 457 CB LEU A 28 1.181 5.567 3.641 1.00 0.00 C ATOM 458 CG LEU A 28 0.262 4.623 4.377 1.00 0.00 C ATOM 459 CD1 LEU A 28 -0.325 3.593 3.427 1.00 0.00 C ATOM 460 CD2 LEU A 28 1.004 3.941 5.517 1.00 0.00 C ATOM 0 H LEU A 28 -0.420 6.985 4.832 1.00 0.00 H new ATOM 0 HA LEU A 28 2.331 6.321 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.668 5.966 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.051 5.020 3.279 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.560 5.202 4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.984 2.923 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.893 4.100 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.481 3.016 2.973 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.327 3.264 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.846 3.376 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.371 4.694 6.214 1.00 0.00 H new ATOM 472 N GLU A 29 1.621 8.748 3.218 1.00 0.00 N ATOM 473 CA GLU A 29 2.176 9.852 2.444 1.00 0.00 C ATOM 474 C GLU A 29 2.842 10.872 3.354 1.00 0.00 C ATOM 475 O GLU A 29 3.826 11.494 2.974 1.00 0.00 O ATOM 476 CB GLU A 29 1.072 10.519 1.608 1.00 0.00 C ATOM 477 CG GLU A 29 1.535 11.700 0.750 1.00 0.00 C ATOM 478 CD GLU A 29 1.585 13.019 1.505 1.00 0.00 C ATOM 479 OE1 GLU A 29 0.770 13.213 2.430 1.00 0.00 O ATOM 480 OE2 GLU A 29 2.422 13.880 1.164 1.00 0.00 O ATOM 0 H GLU A 29 0.610 8.797 3.342 1.00 0.00 H new ATOM 0 HA GLU A 29 2.935 9.453 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.627 9.768 0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.286 10.864 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.526 11.482 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.864 11.804 -0.102 1.00 0.00 H new ATOM 487 N ARG A 30 2.307 11.039 4.558 1.00 0.00 N ATOM 488 CA ARG A 30 2.839 12.022 5.499 1.00 0.00 C ATOM 489 C ARG A 30 4.275 11.718 5.917 1.00 0.00 C ATOM 490 O ARG A 30 4.923 12.540 6.563 1.00 0.00 O ATOM 491 CB ARG A 30 1.952 12.144 6.715 1.00 0.00 C ATOM 492 CG ARG A 30 0.623 12.853 6.469 1.00 0.00 C ATOM 493 CD ARG A 30 0.802 14.324 6.108 1.00 0.00 C ATOM 494 NE ARG A 30 1.372 14.516 4.773 1.00 0.00 N ATOM 495 CZ ARG A 30 2.024 15.613 4.392 1.00 0.00 C ATOM 496 NH1 ARG A 30 2.191 16.620 5.240 1.00 0.00 N ATOM 497 NH2 ARG A 30 2.517 15.700 3.163 1.00 0.00 N ATOM 0 H ARG A 30 1.508 10.509 4.906 1.00 0.00 H new ATOM 0 HA ARG A 30 2.852 12.977 4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.749 11.145 7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.496 12.681 7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.089 12.347 5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.003 12.775 7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.164 14.826 6.161 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.449 14.798 6.846 1.00 0.00 H new ATOM 0 HE ARG A 30 1.263 13.763 4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.819 16.556 6.188 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.691 17.458 4.944 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.397 14.926 2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.016 16.541 2.872 1.00 0.00 H new ATOM 511 N TYR A 31 4.774 10.545 5.552 1.00 0.00 N ATOM 512 CA TYR A 31 6.182 10.232 5.749 1.00 0.00 C ATOM 513 C TYR A 31 7.026 11.004 4.746 1.00 0.00 C ATOM 514 O TYR A 31 8.242 11.125 4.898 1.00 0.00 O ATOM 515 CB TYR A 31 6.446 8.735 5.590 1.00 0.00 C ATOM 516 CG TYR A 31 5.851 7.884 6.691 1.00 0.00 C ATOM 517 CD1 TYR A 31 4.751 7.072 6.454 1.00 0.00 C ATOM 518 CD2 TYR A 31 6.397 7.890 7.968 1.00 0.00 C ATOM 519 CE1 TYR A 31 4.212 6.288 7.457 1.00 0.00 C ATOM 520 CE2 TYR A 31 5.864 7.111 8.977 1.00 0.00 C ATOM 521 CZ TYR A 31 4.773 6.312 8.716 1.00 0.00 C ATOM 522 OH TYR A 31 4.240 5.530 9.718 1.00 0.00 O ATOM 0 H TYR A 31 4.229 9.799 5.121 1.00 0.00 H new ATOM 0 HA TYR A 31 6.453 10.522 6.764 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.043 8.405 4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.523 8.568 5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.308 7.052 5.469 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.253 8.515 8.176 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.356 5.660 7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.300 7.129 9.965 1.00 0.00 H new ATOM 0 HH TYR A 31 4.752 5.662 10.543 1.00 0.00 H new ATOM 532 N PHE A 32 6.369 11.508 3.709 1.00 0.00 N ATOM 533 CA PHE A 32 7.021 12.245 2.667 1.00 0.00 C ATOM 534 C PHE A 32 6.578 13.687 2.699 1.00 0.00 C ATOM 535 O PHE A 32 5.626 14.044 3.395 1.00 0.00 O ATOM 536 CB PHE A 32 6.621 11.705 1.308 1.00 0.00 C ATOM 537 CG PHE A 32 6.387 10.216 1.230 1.00 0.00 C ATOM 538 CD1 PHE A 32 5.275 9.720 0.569 1.00 0.00 C ATOM 539 CD2 PHE A 32 7.280 9.315 1.792 1.00 0.00 C ATOM 540 CE1 PHE A 32 5.058 8.360 0.468 1.00 0.00 C ATOM 541 CE2 PHE A 32 7.065 7.957 1.697 1.00 0.00 C ATOM 542 CZ PHE A 32 5.955 7.478 1.032 1.00 0.00 C ATOM 0 H PHE A 32 5.362 11.409 3.579 1.00 0.00 H new ATOM 0 HA PHE A 32 8.096 12.154 2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.710 12.213 0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.399 11.969 0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.568 10.406 0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.154 9.682 2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.187 7.988 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.766 7.267 2.143 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.789 6.414 0.953 1.00 0.00 H new ATOM 552 N ASN A 33 7.274 14.520 1.953 1.00 0.00 N ATOM 553 CA ASN A 33 6.775 15.845 1.665 1.00 0.00 C ATOM 554 C ASN A 33 6.696 16.070 0.161 1.00 0.00 C ATOM 555 O ASN A 33 5.625 16.310 -0.390 1.00 0.00 O ATOM 556 CB ASN A 33 7.640 16.920 2.331 1.00 0.00 C ATOM 557 CG ASN A 33 7.193 18.330 1.988 1.00 0.00 C ATOM 558 OD1 ASN A 33 6.314 18.891 2.641 1.00 0.00 O ATOM 559 ND2 ASN A 33 7.810 18.923 0.977 1.00 0.00 N ATOM 0 H ASN A 33 8.180 14.304 1.538 1.00 0.00 H new ATOM 0 HA ASN A 33 5.770 15.924 2.079 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.609 16.787 3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.677 16.787 2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.561 19.877 0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.534 18.425 0.459 1.00 0.00 H new ATOM 566 N ASP A 34 7.843 15.967 -0.494 1.00 0.00 N ATOM 567 CA ASP A 34 7.975 16.231 -1.906 1.00 0.00 C ATOM 568 C ASP A 34 7.585 15.030 -2.762 1.00 0.00 C ATOM 569 O ASP A 34 8.136 14.829 -3.846 1.00 0.00 O ATOM 570 CB ASP A 34 9.400 16.671 -2.237 1.00 0.00 C ATOM 571 CG ASP A 34 9.740 18.022 -1.644 1.00 0.00 C ATOM 572 OD1 ASP A 34 9.647 19.033 -2.370 1.00 0.00 O ATOM 573 OD2 ASP A 34 10.095 18.085 -0.449 1.00 0.00 O ATOM 0 H ASP A 34 8.717 15.693 -0.046 1.00 0.00 H new ATOM 0 HA ASP A 34 7.282 17.038 -2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.103 15.926 -1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.523 16.711 -3.319 1.00 0.00 H new ATOM 578 N VAL A 35 6.677 14.212 -2.242 1.00 0.00 N ATOM 579 CA VAL A 35 6.228 12.995 -2.918 1.00 0.00 C ATOM 580 C VAL A 35 5.771 13.275 -4.360 1.00 0.00 C ATOM 581 O VAL A 35 4.778 13.967 -4.595 1.00 0.00 O ATOM 582 CB VAL A 35 5.087 12.314 -2.118 1.00 0.00 C ATOM 583 CG1 VAL A 35 3.985 13.303 -1.777 1.00 0.00 C ATOM 584 CG2 VAL A 35 4.516 11.125 -2.878 1.00 0.00 C ATOM 0 H VAL A 35 6.230 14.372 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 35 7.082 12.319 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 35 5.517 11.950 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.201 12.795 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.396 14.112 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.567 13.713 -2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.718 10.668 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.117 11.462 -3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.304 10.392 -3.052 1.00 0.00 H new ATOM 594 N PRO A 36 6.522 12.744 -5.349 1.00 0.00 N ATOM 595 CA PRO A 36 6.197 12.904 -6.770 1.00 0.00 C ATOM 596 C PRO A 36 4.899 12.203 -7.140 1.00 0.00 C ATOM 597 O PRO A 36 4.078 12.746 -7.879 1.00 0.00 O ATOM 598 CB PRO A 36 7.376 12.249 -7.502 1.00 0.00 C ATOM 599 CG PRO A 36 8.454 12.124 -6.482 1.00 0.00 C ATOM 600 CD PRO A 36 7.758 11.968 -5.164 1.00 0.00 C ATOM 0 HA PRO A 36 6.053 13.952 -7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.098 11.274 -7.901 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.702 12.858 -8.346 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.091 11.265 -6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.096 13.005 -6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.548 10.922 -4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.359 12.356 -4.342 1.00 0.00 H new ATOM 608 N ASN A 37 4.721 10.993 -6.624 1.00 0.00 N ATOM 609 CA ASN A 37 3.522 10.216 -6.896 1.00 0.00 C ATOM 610 C ASN A 37 3.335 9.121 -5.855 1.00 0.00 C ATOM 611 O ASN A 37 4.270 8.386 -5.534 1.00 0.00 O ATOM 612 CB ASN A 37 3.584 9.593 -8.298 1.00 0.00 C ATOM 613 CG ASN A 37 2.387 8.704 -8.599 1.00 0.00 C ATOM 614 OD1 ASN A 37 1.350 9.174 -9.073 1.00 0.00 O ATOM 615 ND2 ASN A 37 2.524 7.412 -8.335 1.00 0.00 N ATOM 0 H ASN A 37 5.394 10.529 -6.014 1.00 0.00 H new ATOM 0 HA ASN A 37 2.670 10.894 -6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.637 10.388 -9.042 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.499 9.007 -8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.755 6.769 -8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.398 7.061 -7.943 1.00 0.00 H new ATOM 622 N ALA A 38 2.132 9.051 -5.311 1.00 0.00 N ATOM 623 CA ALA A 38 1.722 7.949 -4.454 1.00 0.00 C ATOM 624 C ALA A 38 0.278 7.604 -4.787 1.00 0.00 C ATOM 625 O ALA A 38 -0.617 8.422 -4.592 1.00 0.00 O ATOM 626 CB ALA A 38 1.854 8.322 -2.990 1.00 0.00 C ATOM 0 H ALA A 38 1.410 9.758 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 38 2.366 7.087 -4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.541 7.481 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.893 8.569 -2.770 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.223 9.185 -2.776 1.00 0.00 H new ATOM 632 N VAL A 39 0.060 6.421 -5.323 1.00 0.00 N ATOM 633 CA VAL A 39 -1.230 6.020 -5.806 1.00 0.00 C ATOM 634 C VAL A 39 -1.761 4.856 -4.978 1.00 0.00 C ATOM 635 O VAL A 39 -0.985 4.133 -4.369 1.00 0.00 O ATOM 636 CB VAL A 39 -1.089 5.595 -7.283 1.00 0.00 C ATOM 637 CG1 VAL A 39 -2.051 4.486 -7.616 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.278 6.776 -8.214 1.00 0.00 C ATOM 0 H VAL A 39 0.784 5.711 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.932 6.850 -5.722 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.076 5.219 -7.427 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.933 4.204 -8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.846 3.624 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.072 4.827 -7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.173 6.445 -9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.272 7.199 -8.068 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.525 7.534 -7.997 1.00 0.00 H new ATOM 648 N ALA A 40 -3.076 4.691 -4.935 1.00 0.00 N ATOM 649 CA ALA A 40 -3.662 3.472 -4.400 1.00 0.00 C ATOM 650 C ALA A 40 -4.636 2.879 -5.411 1.00 0.00 C ATOM 651 O ALA A 40 -5.805 3.254 -5.453 1.00 0.00 O ATOM 652 CB ALA A 40 -4.376 3.768 -3.086 1.00 0.00 C ATOM 0 H ALA A 40 -3.752 5.381 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.869 2.748 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.811 2.849 -2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.662 4.168 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.166 4.499 -3.258 1.00 0.00 H new ATOM 658 N HIS A 41 -4.130 2.000 -6.259 1.00 0.00 N ATOM 659 CA HIS A 41 -4.955 1.272 -7.217 1.00 0.00 C ATOM 660 C HIS A 41 -5.523 0.035 -6.532 1.00 0.00 C ATOM 661 O HIS A 41 -4.904 -1.022 -6.521 1.00 0.00 O ATOM 662 CB HIS A 41 -4.124 0.890 -8.453 1.00 0.00 C ATOM 663 CG HIS A 41 -4.862 0.089 -9.486 1.00 0.00 C ATOM 664 ND1 HIS A 41 -5.490 0.655 -10.574 1.00 0.00 N ATOM 665 CD2 HIS A 41 -5.050 -1.249 -9.604 1.00 0.00 C ATOM 666 CE1 HIS A 41 -6.030 -0.297 -11.313 1.00 0.00 C ATOM 667 NE2 HIS A 41 -5.776 -1.461 -10.746 1.00 0.00 N ATOM 0 H HIS A 41 -3.138 1.769 -6.306 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.778 1.902 -7.556 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -3.752 1.802 -8.919 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -3.254 0.321 -8.126 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -4.693 -2.007 -8.923 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.586 -0.148 -12.227 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -6.072 -2.371 -11.100 1.00 0.00 H new ATOM 676 N VAL A 42 -6.690 0.181 -5.951 1.00 0.00 N ATOM 677 CA VAL A 42 -7.262 -0.811 -5.085 1.00 0.00 C ATOM 678 C VAL A 42 -8.545 -1.298 -5.691 1.00 0.00 C ATOM 679 O VAL A 42 -9.179 -0.593 -6.448 1.00 0.00 O ATOM 680 CB VAL A 42 -7.513 -0.141 -3.739 1.00 0.00 C ATOM 681 CG1 VAL A 42 -8.690 -0.746 -3.041 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.278 -0.264 -2.890 1.00 0.00 C ATOM 0 H VAL A 42 -7.275 1.008 -6.072 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.601 -1.668 -4.953 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.740 0.912 -3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.842 -0.246 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.580 -0.627 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.506 -1.807 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.451 0.213 -1.925 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.045 -1.318 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.442 0.223 -3.391 1.00 0.00 H new ATOM 692 N LYS A 43 -8.891 -2.503 -5.380 1.00 0.00 N ATOM 693 CA LYS A 43 -10.097 -3.108 -5.906 1.00 0.00 C ATOM 694 C LYS A 43 -10.801 -3.834 -4.794 1.00 0.00 C ATOM 695 O LYS A 43 -10.169 -4.335 -3.875 1.00 0.00 O ATOM 696 CB LYS A 43 -9.758 -4.061 -7.060 1.00 0.00 C ATOM 697 CG LYS A 43 -10.972 -4.694 -7.727 1.00 0.00 C ATOM 698 CD LYS A 43 -10.578 -5.524 -8.942 1.00 0.00 C ATOM 699 CE LYS A 43 -9.633 -6.658 -8.570 1.00 0.00 C ATOM 700 NZ LYS A 43 -9.271 -7.491 -9.748 1.00 0.00 N ATOM 0 H LYS A 43 -8.355 -3.106 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.756 -2.335 -6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.189 -3.514 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.111 -4.853 -6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.494 -5.326 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.669 -3.913 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.474 -5.935 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.101 -4.881 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.727 -6.244 -8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.101 -7.286 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.627 -8.251 -9.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.132 -7.907 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.801 -6.898 -10.461 1.00 0.00 H new ATOM 714 N VAL A 44 -12.103 -3.832 -4.844 1.00 0.00 N ATOM 715 CA VAL A 44 -12.888 -4.525 -3.858 1.00 0.00 C ATOM 716 C VAL A 44 -14.140 -5.078 -4.538 1.00 0.00 C ATOM 717 O VAL A 44 -14.556 -4.583 -5.585 1.00 0.00 O ATOM 718 CB VAL A 44 -13.306 -3.579 -2.720 1.00 0.00 C ATOM 719 CG1 VAL A 44 -14.399 -2.688 -3.216 1.00 0.00 C ATOM 720 CG2 VAL A 44 -13.773 -4.340 -1.501 1.00 0.00 C ATOM 0 H VAL A 44 -12.648 -3.355 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.291 -5.330 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.439 -2.989 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.706 -2.011 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.039 -2.108 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -15.250 -3.294 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.059 -3.636 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -14.631 -4.958 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.966 -4.976 -1.138 1.00 0.00 H new ATOM 730 N LYS A 45 -14.695 -6.102 -3.942 1.00 0.00 N ATOM 731 CA LYS A 45 -15.851 -6.822 -4.457 1.00 0.00 C ATOM 732 C LYS A 45 -16.521 -7.572 -3.317 1.00 0.00 C ATOM 733 O LYS A 45 -15.987 -8.564 -2.825 1.00 0.00 O ATOM 734 CB LYS A 45 -15.442 -7.825 -5.544 1.00 0.00 C ATOM 735 CG LYS A 45 -15.070 -7.200 -6.876 1.00 0.00 C ATOM 736 CD LYS A 45 -14.567 -8.244 -7.851 1.00 0.00 C ATOM 737 CE LYS A 45 -14.318 -7.648 -9.221 1.00 0.00 C ATOM 738 NZ LYS A 45 -13.855 -8.670 -10.191 1.00 0.00 N ATOM 0 H LYS A 45 -14.351 -6.476 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.538 -6.098 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.594 -8.407 -5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.264 -8.523 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.938 -6.693 -7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.302 -6.442 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.645 -8.684 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.296 -9.050 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.235 -7.187 -9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.572 -6.857 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.696 -8.223 -11.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.967 -9.092 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.578 -9.412 -10.285 1.00 0.00 H new ATOM 752 N THR A 46 -17.655 -7.078 -2.864 1.00 0.00 N ATOM 753 CA THR A 46 -18.390 -7.736 -1.797 1.00 0.00 C ATOM 754 C THR A 46 -19.830 -7.256 -1.758 1.00 0.00 C ATOM 755 O THR A 46 -20.105 -6.054 -1.853 1.00 0.00 O ATOM 756 CB THR A 46 -17.725 -7.517 -0.419 1.00 0.00 C ATOM 757 OG1 THR A 46 -18.557 -8.040 0.623 1.00 0.00 O ATOM 758 CG2 THR A 46 -17.443 -6.048 -0.158 1.00 0.00 C ATOM 0 H THR A 46 -18.089 -6.225 -3.216 1.00 0.00 H new ATOM 0 HA THR A 46 -18.376 -8.805 -2.012 1.00 0.00 H new ATOM 0 HB THR A 46 -16.773 -8.048 -0.428 1.00 0.00 H new ATOM 0 HG1 THR A 46 -18.949 -7.300 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 46 -16.976 -5.935 0.820 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.773 -5.664 -0.927 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.378 -5.489 -0.180 1.00 0.00 H new ATOM 766 N TYR A 47 -20.748 -8.199 -1.656 1.00 0.00 N ATOM 767 CA TYR A 47 -22.140 -7.876 -1.429 1.00 0.00 C ATOM 768 C TYR A 47 -22.539 -8.452 -0.085 1.00 0.00 C ATOM 769 O TYR A 47 -23.374 -9.352 0.005 1.00 0.00 O ATOM 770 CB TYR A 47 -23.016 -8.445 -2.548 1.00 0.00 C ATOM 771 CG TYR A 47 -22.525 -8.089 -3.934 1.00 0.00 C ATOM 772 CD1 TYR A 47 -22.731 -6.822 -4.464 1.00 0.00 C ATOM 773 CD2 TYR A 47 -21.847 -9.021 -4.708 1.00 0.00 C ATOM 774 CE1 TYR A 47 -22.276 -6.496 -5.725 1.00 0.00 C ATOM 775 CE2 TYR A 47 -21.389 -8.703 -5.969 1.00 0.00 C ATOM 776 CZ TYR A 47 -21.605 -7.440 -6.473 1.00 0.00 C ATOM 777 OH TYR A 47 -21.150 -7.120 -7.730 1.00 0.00 O ATOM 0 H TYR A 47 -20.552 -9.197 -1.727 1.00 0.00 H new ATOM 0 HA TYR A 47 -22.280 -6.795 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -23.056 -9.530 -2.452 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -24.034 -8.076 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -23.256 -6.080 -3.880 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -21.675 -10.012 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -22.445 -5.507 -6.124 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -20.864 -9.440 -6.558 1.00 0.00 H new ATOM 0 HH TYR A 47 -20.374 -6.526 -7.656 1.00 0.00 H new ATOM 787 N SER A 48 -21.933 -7.904 0.956 1.00 0.00 N ATOM 788 CA SER A 48 -22.072 -8.417 2.305 1.00 0.00 C ATOM 789 C SER A 48 -21.246 -7.568 3.258 1.00 0.00 C ATOM 790 O SER A 48 -20.344 -6.844 2.837 1.00 0.00 O ATOM 791 CB SER A 48 -21.596 -9.875 2.361 1.00 0.00 C ATOM 792 OG SER A 48 -21.604 -10.381 3.686 1.00 0.00 O ATOM 0 H SER A 48 -21.328 -7.086 0.886 1.00 0.00 H new ATOM 0 HA SER A 48 -23.121 -8.375 2.600 1.00 0.00 H new ATOM 0 HB2 SER A 48 -22.239 -10.492 1.733 1.00 0.00 H new ATOM 0 HB3 SER A 48 -20.588 -9.944 1.951 1.00 0.00 H new ATOM 0 HG SER A 48 -21.297 -11.312 3.683 1.00 0.00 H new ATOM 798 N ASN A 49 -21.566 -7.659 4.537 1.00 0.00 N ATOM 799 CA ASN A 49 -20.829 -6.945 5.568 1.00 0.00 C ATOM 800 C ASN A 49 -19.763 -7.857 6.170 1.00 0.00 C ATOM 801 O ASN A 49 -18.927 -7.426 6.960 1.00 0.00 O ATOM 802 CB ASN A 49 -21.798 -6.460 6.652 1.00 0.00 C ATOM 803 CG ASN A 49 -21.124 -5.642 7.740 1.00 0.00 C ATOM 804 OD1 ASN A 49 -20.696 -6.175 8.763 1.00 0.00 O ATOM 805 ND2 ASN A 49 -21.028 -4.340 7.527 1.00 0.00 N ATOM 0 H ASN A 49 -22.338 -8.225 4.890 1.00 0.00 H new ATOM 0 HA ASN A 49 -20.335 -6.079 5.127 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -22.580 -5.859 6.188 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -22.286 -7.323 7.106 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -20.587 -3.740 8.224 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -21.395 -3.936 6.666 1.00 0.00 H new ATOM 812 N SER A 50 -19.788 -9.121 5.770 1.00 0.00 N ATOM 813 CA SER A 50 -18.894 -10.115 6.344 1.00 0.00 C ATOM 814 C SER A 50 -17.892 -10.630 5.326 1.00 0.00 C ATOM 815 O SER A 50 -17.163 -11.593 5.569 1.00 0.00 O ATOM 816 CB SER A 50 -19.702 -11.264 6.945 1.00 0.00 C ATOM 817 OG SER A 50 -20.661 -10.778 7.873 1.00 0.00 O ATOM 0 H SER A 50 -20.416 -9.481 5.052 1.00 0.00 H new ATOM 0 HA SER A 50 -18.323 -9.633 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.206 -11.814 6.150 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.031 -11.964 7.442 1.00 0.00 H new ATOM 0 HG SER A 50 -21.168 -11.530 8.244 1.00 0.00 H new ATOM 823 N ALA A 51 -17.864 -9.977 4.193 1.00 0.00 N ATOM 824 CA ALA A 51 -16.998 -10.381 3.092 1.00 0.00 C ATOM 825 C ALA A 51 -16.185 -9.229 2.583 1.00 0.00 C ATOM 826 O ALA A 51 -16.557 -8.067 2.756 1.00 0.00 O ATOM 827 CB ALA A 51 -17.791 -10.892 1.908 1.00 0.00 C ATOM 0 H ALA A 51 -18.434 -9.154 3.998 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.360 -11.166 3.498 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.107 -11.182 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -18.382 -11.756 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.455 -10.106 1.549 1.00 0.00 H new ATOM 833 N THR A 52 -15.079 -9.556 1.937 1.00 0.00 N ATOM 834 CA THR A 52 -14.435 -8.632 1.079 1.00 0.00 C ATOM 835 C THR A 52 -13.480 -9.320 0.113 1.00 0.00 C ATOM 836 O THR A 52 -12.566 -10.015 0.546 1.00 0.00 O ATOM 837 CB THR A 52 -13.635 -7.539 1.803 1.00 0.00 C ATOM 838 OG1 THR A 52 -14.064 -7.391 3.148 1.00 0.00 O ATOM 839 CG2 THR A 52 -13.805 -6.224 1.078 1.00 0.00 C ATOM 0 H THR A 52 -14.622 -10.465 2.005 1.00 0.00 H new ATOM 0 HA THR A 52 -15.264 -8.162 0.549 1.00 0.00 H new ATOM 0 HB THR A 52 -12.586 -7.834 1.807 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.035 -7.259 3.169 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.237 -5.449 1.592 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.441 -6.323 0.055 1.00 0.00 H new ATOM 0 HG23 THR A 52 -14.860 -5.951 1.063 1.00 0.00 H new ATOM 847 N LYS A 53 -13.697 -9.144 -1.182 1.00 0.00 N ATOM 848 CA LYS A 53 -12.691 -9.484 -2.169 1.00 0.00 C ATOM 849 C LYS A 53 -11.970 -8.218 -2.591 1.00 0.00 C ATOM 850 O LYS A 53 -12.552 -7.333 -3.178 1.00 0.00 O ATOM 851 CB LYS A 53 -13.334 -10.170 -3.375 1.00 0.00 C ATOM 852 CG LYS A 53 -13.954 -11.523 -3.066 1.00 0.00 C ATOM 853 CD LYS A 53 -14.789 -12.037 -4.228 1.00 0.00 C ATOM 854 CE LYS A 53 -15.585 -13.281 -3.848 1.00 0.00 C ATOM 855 NZ LYS A 53 -14.712 -14.453 -3.558 1.00 0.00 N ATOM 0 H LYS A 53 -14.562 -8.768 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.974 -10.181 -1.736 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.104 -9.515 -3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.579 -10.298 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.166 -12.241 -2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.579 -11.443 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.473 -11.255 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.137 -12.266 -5.071 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.197 -13.063 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.268 -13.533 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.263 -15.329 -3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.917 -14.468 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.346 -14.381 -2.587 1.00 0.00 H new ATOM 869 N ILE A 54 -10.701 -8.138 -2.268 1.00 0.00 N ATOM 870 CA ILE A 54 -9.952 -6.908 -2.415 1.00 0.00 C ATOM 871 C ILE A 54 -8.674 -7.084 -3.181 1.00 0.00 C ATOM 872 O ILE A 54 -8.177 -8.200 -3.366 1.00 0.00 O ATOM 873 CB ILE A 54 -9.569 -6.289 -1.065 1.00 0.00 C ATOM 874 CG1 ILE A 54 -9.061 -7.333 -0.050 1.00 0.00 C ATOM 875 CG2 ILE A 54 -10.756 -5.551 -0.563 1.00 0.00 C ATOM 876 CD1 ILE A 54 -10.147 -8.052 0.723 1.00 0.00 C ATOM 0 H ILE A 54 -10.159 -8.918 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.630 -6.254 -2.962 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.729 -5.608 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.462 -8.073 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.399 -6.837 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.521 -5.095 0.399 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -11.029 -4.773 -1.276 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.590 -6.242 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.693 -8.765 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.733 -7.327 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -10.798 -8.582 0.028 1.00 0.00 H new ATOM 888 N GLU A 55 -8.152 -5.954 -3.606 1.00 0.00 N ATOM 889 CA GLU A 55 -6.858 -5.889 -4.213 1.00 0.00 C ATOM 890 C GLU A 55 -6.305 -4.521 -3.923 1.00 0.00 C ATOM 891 O GLU A 55 -7.052 -3.568 -3.725 1.00 0.00 O ATOM 892 CB GLU A 55 -6.913 -6.112 -5.723 1.00 0.00 C ATOM 893 CG GLU A 55 -5.543 -6.326 -6.351 1.00 0.00 C ATOM 894 CD GLU A 55 -5.601 -6.505 -7.850 1.00 0.00 C ATOM 895 OE1 GLU A 55 -5.749 -7.658 -8.305 1.00 0.00 O ATOM 896 OE2 GLU A 55 -5.479 -5.500 -8.576 1.00 0.00 O ATOM 0 H GLU A 55 -8.624 -5.053 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.228 -6.679 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.540 -6.978 -5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.390 -5.252 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.905 -5.474 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.078 -7.204 -5.904 1.00 0.00 H new ATOM 903 N VAL A 56 -5.021 -4.439 -3.874 1.00 0.00 N ATOM 904 CA VAL A 56 -4.334 -3.197 -3.686 1.00 0.00 C ATOM 905 C VAL A 56 -3.193 -3.163 -4.632 1.00 0.00 C ATOM 906 O VAL A 56 -2.596 -4.183 -4.941 1.00 0.00 O ATOM 907 CB VAL A 56 -3.762 -3.052 -2.254 1.00 0.00 C ATOM 908 CG1 VAL A 56 -3.842 -4.374 -1.583 1.00 0.00 C ATOM 909 CG2 VAL A 56 -2.301 -2.537 -2.258 1.00 0.00 C ATOM 0 H VAL A 56 -4.402 -5.245 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.045 -2.388 -3.853 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.353 -2.312 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.443 -4.293 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.882 -4.697 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.259 -5.103 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.943 -2.451 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.670 -3.237 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.261 -1.560 -2.739 1.00 0.00 H new ATOM 919 N THR A 57 -2.943 -2.008 -5.105 1.00 0.00 N ATOM 920 CA THR A 57 -1.702 -1.713 -5.767 1.00 0.00 C ATOM 921 C THR A 57 -1.400 -0.239 -5.594 1.00 0.00 C ATOM 922 O THR A 57 -1.930 0.611 -6.296 1.00 0.00 O ATOM 923 CB THR A 57 -1.732 -2.050 -7.266 1.00 0.00 C ATOM 924 OG1 THR A 57 -2.333 -3.334 -7.478 1.00 0.00 O ATOM 925 CG2 THR A 57 -0.330 -2.040 -7.856 1.00 0.00 C ATOM 0 H THR A 57 -3.589 -1.220 -5.052 1.00 0.00 H new ATOM 0 HA THR A 57 -0.929 -2.334 -5.314 1.00 0.00 H new ATOM 0 HB THR A 57 -2.327 -1.286 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.346 -3.535 -8.437 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.380 -2.282 -8.918 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.111 -1.051 -7.729 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.285 -2.780 -7.344 1.00 0.00 H new ATOM 933 N ILE A 58 -0.557 0.034 -4.655 1.00 0.00 N ATOM 934 CA ILE A 58 -0.245 1.381 -4.225 1.00 0.00 C ATOM 935 C ILE A 58 1.191 1.736 -4.700 1.00 0.00 C ATOM 936 O ILE A 58 2.184 1.333 -4.084 1.00 0.00 O ATOM 937 CB ILE A 58 -0.336 1.416 -2.670 1.00 0.00 C ATOM 938 CG1 ILE A 58 -1.747 1.744 -2.173 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.641 2.402 -2.045 1.00 0.00 C ATOM 940 CD1 ILE A 58 -2.792 0.707 -2.497 1.00 0.00 C ATOM 0 H ILE A 58 -0.045 -0.685 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.940 2.107 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.070 0.407 -2.354 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.713 1.879 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.056 2.697 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.533 2.384 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.660 2.124 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.430 3.406 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.757 1.028 -2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.862 0.586 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.514 -0.244 -2.043 1.00 0.00 H new ATOM 952 N PRO A 59 1.324 2.366 -5.876 1.00 0.00 N ATOM 953 CA PRO A 59 2.592 2.944 -6.339 1.00 0.00 C ATOM 954 C PRO A 59 2.997 4.181 -5.547 1.00 0.00 C ATOM 955 O PRO A 59 2.503 5.278 -5.799 1.00 0.00 O ATOM 956 CB PRO A 59 2.302 3.336 -7.797 1.00 0.00 C ATOM 957 CG PRO A 59 1.081 2.573 -8.159 1.00 0.00 C ATOM 958 CD PRO A 59 0.289 2.488 -6.893 1.00 0.00 C ATOM 0 HA PRO A 59 3.415 2.239 -6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.141 4.410 -7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.137 3.079 -8.449 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.518 3.078 -8.944 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.332 1.581 -8.535 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.327 3.374 -6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.383 1.630 -6.892 1.00 0.00 H new ATOM 966 N LEU A 60 3.895 4.000 -4.592 1.00 0.00 N ATOM 967 CA LEU A 60 4.463 5.093 -3.848 1.00 0.00 C ATOM 968 C LEU A 60 5.719 5.573 -4.561 1.00 0.00 C ATOM 969 O LEU A 60 6.047 5.059 -5.630 1.00 0.00 O ATOM 970 CB LEU A 60 4.811 4.613 -2.443 1.00 0.00 C ATOM 971 CG LEU A 60 3.627 4.245 -1.546 1.00 0.00 C ATOM 972 CD1 LEU A 60 4.117 3.831 -0.172 1.00 0.00 C ATOM 973 CD2 LEU A 60 2.649 5.401 -1.431 1.00 0.00 C ATOM 0 H LEU A 60 4.247 3.083 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 60 3.750 5.914 -3.779 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.460 3.742 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.388 5.393 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 60 3.105 3.404 -2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.264 3.572 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.775 2.967 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.665 4.656 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.818 5.112 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.156 6.265 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.270 5.657 -2.421 1.00 0.00 H new ATOM 985 N LYS A 61 6.413 6.559 -3.994 1.00 0.00 N ATOM 986 CA LYS A 61 7.655 7.030 -4.570 1.00 0.00 C ATOM 987 C LYS A 61 8.600 5.872 -4.709 1.00 0.00 C ATOM 988 O LYS A 61 9.098 5.553 -5.787 1.00 0.00 O ATOM 989 CB LYS A 61 8.349 7.977 -3.624 1.00 0.00 C ATOM 990 CG LYS A 61 7.456 8.994 -2.938 1.00 0.00 C ATOM 991 CD LYS A 61 8.282 10.057 -2.225 1.00 0.00 C ATOM 992 CE LYS A 61 9.278 9.450 -1.244 1.00 0.00 C ATOM 993 NZ LYS A 61 10.249 10.459 -0.744 1.00 0.00 N ATOM 0 H LYS A 61 6.131 7.040 -3.140 1.00 0.00 H new ATOM 0 HA LYS A 61 7.419 7.508 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.855 7.390 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.121 8.513 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.806 9.467 -3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.810 8.489 -2.220 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.819 10.653 -2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.616 10.735 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.739 9.016 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.817 8.637 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.909 10.006 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.781 10.855 -1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.737 11.222 -0.257 1.00 0.00 H new ATOM 1007 N ASN A 62 8.828 5.258 -3.562 1.00 0.00 N ATOM 1008 CA ASN A 62 9.877 4.299 -3.412 1.00 0.00 C ATOM 1009 C ASN A 62 9.534 2.995 -4.107 1.00 0.00 C ATOM 1010 O ASN A 62 10.289 2.496 -4.939 1.00 0.00 O ATOM 1011 CB ASN A 62 10.150 4.038 -1.952 1.00 0.00 C ATOM 1012 CG ASN A 62 10.614 5.264 -1.189 1.00 0.00 C ATOM 1013 OD1 ASN A 62 10.298 5.424 -0.014 1.00 0.00 O ATOM 1014 ND2 ASN A 62 11.370 6.134 -1.843 1.00 0.00 N ATOM 0 H ASN A 62 8.283 5.419 -2.715 1.00 0.00 H new ATOM 0 HA ASN A 62 10.771 4.714 -3.877 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.244 3.652 -1.485 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.908 3.260 -1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.710 6.971 -1.370 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.612 5.967 -2.820 1.00 0.00 H new ATOM 1021 N VAL A 63 8.377 2.452 -3.753 1.00 0.00 N ATOM 1022 CA VAL A 63 7.966 1.148 -4.220 1.00 0.00 C ATOM 1023 C VAL A 63 6.454 1.097 -4.472 1.00 0.00 C ATOM 1024 O VAL A 63 5.693 1.905 -3.939 1.00 0.00 O ATOM 1025 CB VAL A 63 8.366 0.096 -3.169 1.00 0.00 C ATOM 1026 CG1 VAL A 63 7.601 0.312 -1.873 1.00 0.00 C ATOM 1027 CG2 VAL A 63 8.180 -1.326 -3.685 1.00 0.00 C ATOM 0 H VAL A 63 7.704 2.906 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 63 8.463 0.938 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 63 9.429 0.225 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.899 -0.442 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.824 1.304 -1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.531 0.229 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.474 -2.035 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.133 -1.485 -3.944 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.799 -1.476 -4.569 1.00 0.00 H new ATOM 1037 N THR A 64 6.047 0.151 -5.300 1.00 0.00 N ATOM 1038 CA THR A 64 4.646 -0.100 -5.576 1.00 0.00 C ATOM 1039 C THR A 64 4.212 -1.412 -4.925 1.00 0.00 C ATOM 1040 O THR A 64 4.704 -2.482 -5.294 1.00 0.00 O ATOM 1041 CB THR A 64 4.401 -0.193 -7.096 1.00 0.00 C ATOM 1042 OG1 THR A 64 4.833 1.013 -7.746 1.00 0.00 O ATOM 1043 CG2 THR A 64 2.933 -0.445 -7.401 1.00 0.00 C ATOM 0 H THR A 64 6.684 -0.468 -5.802 1.00 0.00 H new ATOM 0 HA THR A 64 4.066 0.727 -5.167 1.00 0.00 H new ATOM 0 HB THR A 64 4.981 -1.034 -7.477 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.674 0.940 -8.710 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.791 -0.506 -8.480 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.621 -1.383 -6.941 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.333 0.372 -7.001 1.00 0.00 H new ATOM 1051 N LEU A 65 3.311 -1.343 -3.953 1.00 0.00 N ATOM 1052 CA LEU A 65 2.829 -2.562 -3.317 1.00 0.00 C ATOM 1053 C LEU A 65 1.538 -3.018 -3.920 1.00 0.00 C ATOM 1054 O LEU A 65 0.713 -2.218 -4.327 1.00 0.00 O ATOM 1055 CB LEU A 65 2.630 -2.424 -1.813 1.00 0.00 C ATOM 1056 CG LEU A 65 3.937 -2.456 -1.013 1.00 0.00 C ATOM 1057 CD1 LEU A 65 4.539 -1.065 -0.828 1.00 0.00 C ATOM 1058 CD2 LEU A 65 3.727 -3.148 0.319 1.00 0.00 C ATOM 0 H LEU A 65 2.907 -0.478 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 65 3.613 -3.299 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.112 -1.487 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.982 -3.229 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 65 4.660 -3.031 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.463 -1.142 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.752 -0.628 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.832 -0.431 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.665 -3.162 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.973 -2.610 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.391 -4.171 0.149 1.00 0.00 H new ATOM 1070 N ARG A 66 1.373 -4.313 -3.966 1.00 0.00 N ATOM 1071 CA ARG A 66 0.146 -4.897 -4.429 1.00 0.00 C ATOM 1072 C ARG A 66 -0.232 -6.062 -3.551 1.00 0.00 C ATOM 1073 O ARG A 66 0.613 -6.857 -3.137 1.00 0.00 O ATOM 1074 CB ARG A 66 0.308 -5.327 -5.872 1.00 0.00 C ATOM 1075 CG ARG A 66 -0.924 -5.886 -6.577 1.00 0.00 C ATOM 1076 CD ARG A 66 -1.211 -7.332 -6.231 1.00 0.00 C ATOM 1077 NE ARG A 66 -2.401 -7.818 -6.920 1.00 0.00 N ATOM 1078 CZ ARG A 66 -2.744 -9.100 -6.998 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -1.968 -10.031 -6.468 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -3.866 -9.457 -7.609 1.00 0.00 N ATOM 0 H ARG A 66 2.083 -4.989 -3.685 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.657 -4.162 -4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.663 -4.468 -6.442 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.092 -6.083 -5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.790 -5.279 -6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.788 -5.798 -7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.354 -7.949 -6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.347 -7.430 -5.154 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.007 -7.132 -7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.103 -9.766 -5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.235 -11.013 -6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.470 -8.746 -8.022 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.124 -10.442 -7.666 1.00 0.00 H new ATOM 1094 N ALA A 67 -1.495 -6.141 -3.275 1.00 0.00 N ATOM 1095 CA ALA A 67 -2.039 -7.272 -2.494 1.00 0.00 C ATOM 1096 C ALA A 67 -3.429 -7.653 -2.968 1.00 0.00 C ATOM 1097 O ALA A 67 -4.059 -6.906 -3.706 1.00 0.00 O ATOM 1098 CB ALA A 67 -2.049 -6.987 -0.986 1.00 0.00 C ATOM 0 H ALA A 67 -2.189 -5.452 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.370 -8.116 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.457 -7.847 -0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.031 -6.800 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.666 -6.111 -0.785 1.00 0.00 H new ATOM 1104 N GLU A 68 -3.886 -8.830 -2.563 1.00 0.00 N ATOM 1105 CA GLU A 68 -5.224 -9.293 -2.884 1.00 0.00 C ATOM 1106 C GLU A 68 -5.722 -10.235 -1.791 1.00 0.00 C ATOM 1107 O GLU A 68 -4.928 -10.921 -1.146 1.00 0.00 O ATOM 1108 CB GLU A 68 -5.220 -10.029 -4.225 1.00 0.00 C ATOM 1109 CG GLU A 68 -4.189 -11.142 -4.284 1.00 0.00 C ATOM 1110 CD GLU A 68 -4.446 -12.124 -5.410 1.00 0.00 C ATOM 1111 OE1 GLU A 68 -3.740 -12.058 -6.436 1.00 0.00 O ATOM 1112 OE2 GLU A 68 -5.359 -12.963 -5.276 1.00 0.00 O ATOM 0 H GLU A 68 -3.340 -9.487 -2.005 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.886 -8.430 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.210 -10.447 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.023 -9.315 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.198 -10.706 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.185 -11.678 -3.335 1.00 0.00 H new ATOM 1119 N GLU A 69 -7.026 -10.255 -1.581 1.00 0.00 N ATOM 1120 CA GLU A 69 -7.645 -11.203 -0.658 1.00 0.00 C ATOM 1121 C GLU A 69 -9.099 -11.403 -1.049 1.00 0.00 C ATOM 1122 O GLU A 69 -9.751 -10.466 -1.495 1.00 0.00 O ATOM 1123 CB GLU A 69 -7.538 -10.724 0.796 1.00 0.00 C ATOM 1124 CG GLU A 69 -8.130 -11.705 1.801 1.00 0.00 C ATOM 1125 CD GLU A 69 -7.885 -11.305 3.240 1.00 0.00 C ATOM 1126 OE1 GLU A 69 -6.777 -11.579 3.755 1.00 0.00 O ATOM 1127 OE2 GLU A 69 -8.803 -10.744 3.873 1.00 0.00 O ATOM 0 H GLU A 69 -7.684 -9.624 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.114 -12.153 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.489 -10.555 1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.046 -9.765 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.204 -11.786 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.705 -12.694 1.628 1.00 0.00 H new ATOM 1134 N ARG A 70 -9.603 -12.616 -0.908 1.00 0.00 N ATOM 1135 CA ARG A 70 -10.955 -12.910 -1.344 1.00 0.00 C ATOM 1136 C ARG A 70 -11.894 -13.178 -0.169 1.00 0.00 C ATOM 1137 O ARG A 70 -11.542 -13.890 0.774 1.00 0.00 O ATOM 1138 CB ARG A 70 -10.950 -14.100 -2.306 1.00 0.00 C ATOM 1139 CG ARG A 70 -10.561 -15.419 -1.661 1.00 0.00 C ATOM 1140 CD ARG A 70 -10.600 -16.560 -2.660 1.00 0.00 C ATOM 1141 NE ARG A 70 -10.374 -17.850 -2.016 1.00 0.00 N ATOM 1142 CZ ARG A 70 -10.675 -19.023 -2.567 1.00 0.00 C ATOM 1143 NH1 ARG A 70 -11.200 -19.077 -3.783 1.00 0.00 N ATOM 1144 NH2 ARG A 70 -10.449 -20.144 -1.898 1.00 0.00 N ATOM 0 H ARG A 70 -9.102 -13.405 -0.500 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.332 -12.028 -1.862 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.942 -14.202 -2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.259 -13.890 -3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.559 -15.337 -1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.238 -15.635 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.566 -16.569 -3.164 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.842 -16.398 -3.427 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.959 -17.852 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.375 -18.216 -4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.429 -19.979 -4.200 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.045 -20.107 -0.962 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.679 -21.044 -2.319 1.00 0.00 H new ATOM 1158 N ASN A 71 -13.085 -12.574 -0.265 1.00 0.00 N ATOM 1159 CA ASN A 71 -14.185 -12.703 0.704 1.00 0.00 C ATOM 1160 C ASN A 71 -13.733 -12.989 2.133 1.00 0.00 C ATOM 1161 O ASN A 71 -13.989 -14.065 2.671 1.00 0.00 O ATOM 1162 CB ASN A 71 -15.250 -13.734 0.262 1.00 0.00 C ATOM 1163 CG ASN A 71 -14.744 -15.056 -0.176 1.00 0.00 C ATOM 1164 OD1 ASN A 71 -13.757 -15.196 -0.893 1.00 0.00 O ATOM 1165 ND2 ASN A 71 -15.459 -16.046 0.261 1.00 0.00 N ATOM 0 H ASN A 71 -13.319 -11.961 -1.046 1.00 0.00 H new ATOM 0 HA ASN A 71 -14.643 -11.714 0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -15.940 -13.890 1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -15.827 -13.301 -0.555 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.211 -17.003 0.011 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -16.269 -15.867 0.854 1.00 0.00 H new ATOM 1172 N ASP A 72 -13.070 -12.020 2.757 1.00 0.00 N ATOM 1173 CA ASP A 72 -12.761 -12.133 4.177 1.00 0.00 C ATOM 1174 C ASP A 72 -12.842 -10.772 4.870 1.00 0.00 C ATOM 1175 O ASP A 72 -13.883 -10.424 5.428 1.00 0.00 O ATOM 1176 CB ASP A 72 -11.391 -12.771 4.401 1.00 0.00 C ATOM 1177 CG ASP A 72 -11.272 -13.380 5.783 1.00 0.00 C ATOM 1178 OD1 ASP A 72 -11.611 -14.575 5.939 1.00 0.00 O ATOM 1179 OD2 ASP A 72 -10.858 -12.675 6.723 1.00 0.00 O ATOM 0 H ASP A 72 -12.742 -11.163 2.311 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.512 -12.786 4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -11.222 -13.541 3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.614 -12.019 4.267 1.00 0.00 H new ATOM 1184 N ASP A 73 -11.766 -9.994 4.816 1.00 0.00 N ATOM 1185 CA ASP A 73 -11.737 -8.675 5.456 1.00 0.00 C ATOM 1186 C ASP A 73 -10.843 -7.736 4.717 1.00 0.00 C ATOM 1187 O ASP A 73 -9.623 -7.841 4.696 1.00 0.00 O ATOM 1188 CB ASP A 73 -11.315 -8.775 6.923 1.00 0.00 C ATOM 1189 CG ASP A 73 -11.366 -7.430 7.628 1.00 0.00 C ATOM 1190 OD1 ASP A 73 -12.450 -6.817 7.672 1.00 0.00 O ATOM 1191 OD2 ASP A 73 -10.328 -6.987 8.158 1.00 0.00 O ATOM 0 H ASP A 73 -10.902 -10.249 4.338 1.00 0.00 H new ATOM 0 HA ASP A 73 -12.751 -8.277 5.424 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.967 -9.479 7.440 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.303 -9.176 6.982 1.00 0.00 H new ATOM 1196 N LEU A 74 -11.535 -6.847 4.075 1.00 0.00 N ATOM 1197 CA LEU A 74 -11.014 -5.650 3.482 1.00 0.00 C ATOM 1198 C LEU A 74 -9.871 -5.059 4.252 1.00 0.00 C ATOM 1199 O LEU A 74 -8.778 -4.844 3.728 1.00 0.00 O ATOM 1200 CB LEU A 74 -12.160 -4.677 3.557 1.00 0.00 C ATOM 1201 CG LEU A 74 -11.845 -3.190 3.339 1.00 0.00 C ATOM 1202 CD1 LEU A 74 -11.064 -2.975 2.055 1.00 0.00 C ATOM 1203 CD2 LEU A 74 -13.131 -2.378 3.320 1.00 0.00 C ATOM 0 H LEU A 74 -12.542 -6.942 3.942 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.642 -5.861 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.903 -4.975 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.626 -4.782 4.537 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.224 -2.851 4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.856 -1.912 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.124 -3.525 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.650 -3.333 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.894 -1.325 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.771 -2.729 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.650 -2.497 4.271 1.00 0.00 H new ATOM 1215 N TYR A 75 -10.170 -4.770 5.504 1.00 0.00 N ATOM 1216 CA TYR A 75 -9.291 -3.981 6.291 1.00 0.00 C ATOM 1217 C TYR A 75 -8.047 -4.786 6.586 1.00 0.00 C ATOM 1218 O TYR A 75 -6.987 -4.251 6.866 1.00 0.00 O ATOM 1219 CB TYR A 75 -9.967 -3.501 7.565 1.00 0.00 C ATOM 1220 CG TYR A 75 -10.959 -2.513 7.302 1.00 0.00 C ATOM 1221 CD1 TYR A 75 -10.697 -1.490 6.457 1.00 0.00 C ATOM 1222 CD2 TYR A 75 -12.159 -2.608 7.907 1.00 0.00 C ATOM 1223 CE1 TYR A 75 -11.626 -0.562 6.209 1.00 0.00 C ATOM 1224 CE2 TYR A 75 -13.106 -1.701 7.684 1.00 0.00 C ATOM 1225 CZ TYR A 75 -12.860 -0.653 6.825 1.00 0.00 C ATOM 1226 OH TYR A 75 -13.834 0.288 6.584 1.00 0.00 O ATOM 0 H TYR A 75 -11.017 -5.077 5.982 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.012 -3.085 5.736 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.426 -4.349 8.074 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.217 -3.091 8.241 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.731 -1.423 5.980 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -12.354 -3.430 8.580 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.414 0.253 5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -14.064 -1.786 8.175 1.00 0.00 H new ATOM 0 HH TYR A 75 -13.497 1.177 6.823 1.00 0.00 H new ATOM 1236 N ALA A 76 -8.205 -6.094 6.457 1.00 0.00 N ATOM 1237 CA ALA A 76 -7.140 -7.038 6.665 1.00 0.00 C ATOM 1238 C ALA A 76 -6.354 -7.184 5.396 1.00 0.00 C ATOM 1239 O ALA A 76 -5.154 -7.419 5.426 1.00 0.00 O ATOM 1240 CB ALA A 76 -7.705 -8.382 7.046 1.00 0.00 C ATOM 0 H ALA A 76 -9.092 -6.527 6.201 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.497 -6.676 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.890 -9.089 7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.282 -8.287 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.352 -8.744 6.247 1.00 0.00 H new ATOM 1246 N GLY A 77 -7.049 -7.058 4.273 1.00 0.00 N ATOM 1247 CA GLY A 77 -6.392 -7.121 3.005 1.00 0.00 C ATOM 1248 C GLY A 77 -5.503 -5.914 2.806 1.00 0.00 C ATOM 1249 O GLY A 77 -4.337 -6.023 2.426 1.00 0.00 O ATOM 0 H GLY A 77 -8.058 -6.913 4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.797 -8.032 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.133 -7.169 2.207 1.00 0.00 H new ATOM 1253 N ILE A 78 -6.079 -4.753 3.081 1.00 0.00 N ATOM 1254 CA ILE A 78 -5.365 -3.529 2.978 1.00 0.00 C ATOM 1255 C ILE A 78 -4.372 -3.348 4.141 1.00 0.00 C ATOM 1256 O ILE A 78 -3.362 -2.710 3.962 1.00 0.00 O ATOM 1257 CB ILE A 78 -6.324 -2.317 2.871 1.00 0.00 C ATOM 1258 CG1 ILE A 78 -7.153 -2.427 1.586 1.00 0.00 C ATOM 1259 CG2 ILE A 78 -5.555 -0.999 2.900 1.00 0.00 C ATOM 1260 CD1 ILE A 78 -8.076 -1.252 1.349 1.00 0.00 C ATOM 0 H ILE A 78 -7.050 -4.653 3.379 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.786 -3.576 2.056 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.992 -2.328 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.477 -2.522 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.746 -3.340 1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.255 -0.167 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.001 -0.922 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.859 -0.966 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.628 -1.404 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.778 -1.167 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.489 -0.337 1.276 1.00 0.00 H new ATOM 1272 N ASP A 79 -4.639 -3.900 5.333 1.00 0.00 N ATOM 1273 CA ASP A 79 -3.620 -3.916 6.420 1.00 0.00 C ATOM 1274 C ASP A 79 -2.604 -4.987 6.181 1.00 0.00 C ATOM 1275 O ASP A 79 -1.500 -4.894 6.681 1.00 0.00 O ATOM 1276 CB ASP A 79 -4.241 -4.068 7.808 1.00 0.00 C ATOM 1277 CG ASP A 79 -4.580 -2.724 8.428 1.00 0.00 C ATOM 1278 OD1 ASP A 79 -3.714 -1.821 8.408 1.00 0.00 O ATOM 1279 OD2 ASP A 79 -5.704 -2.560 8.944 1.00 0.00 O ATOM 0 H ASP A 79 -5.529 -4.335 5.577 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.125 -2.945 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.145 -4.673 7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.549 -4.603 8.458 1.00 0.00 H new ATOM 1284 N LEU A 80 -2.945 -5.987 5.408 1.00 0.00 N ATOM 1285 CA LEU A 80 -1.927 -6.882 4.928 1.00 0.00 C ATOM 1286 C LEU A 80 -0.982 -6.052 4.090 1.00 0.00 C ATOM 1287 O LEU A 80 0.208 -5.984 4.367 1.00 0.00 O ATOM 1288 CB LEU A 80 -2.532 -8.034 4.109 1.00 0.00 C ATOM 1289 CG LEU A 80 -1.614 -9.234 3.842 1.00 0.00 C ATOM 1290 CD1 LEU A 80 -2.437 -10.428 3.391 1.00 0.00 C ATOM 1291 CD2 LEU A 80 -0.564 -8.906 2.788 1.00 0.00 C ATOM 0 H LEU A 80 -3.896 -6.198 5.104 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.401 -7.349 5.761 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.421 -8.392 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.862 -7.635 3.150 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.099 -9.475 4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.777 -11.275 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.153 -10.691 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.972 -10.176 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.070 -9.777 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.058 -8.634 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.048 -8.072 3.131 1.00 0.00 H new ATOM 1303 N ILE A 81 -1.538 -5.380 3.086 1.00 0.00 N ATOM 1304 CA ILE A 81 -0.722 -4.550 2.226 1.00 0.00 C ATOM 1305 C ILE A 81 -0.155 -3.304 2.912 1.00 0.00 C ATOM 1306 O ILE A 81 0.918 -2.867 2.550 1.00 0.00 O ATOM 1307 CB ILE A 81 -1.473 -4.128 0.959 1.00 0.00 C ATOM 1308 CG1 ILE A 81 -0.472 -4.015 -0.199 1.00 0.00 C ATOM 1309 CG2 ILE A 81 -2.199 -2.801 1.168 1.00 0.00 C ATOM 1310 CD1 ILE A 81 0.669 -5.019 -0.154 1.00 0.00 C ATOM 0 H ILE A 81 -2.532 -5.396 2.856 1.00 0.00 H new ATOM 0 HA ILE A 81 0.122 -5.187 1.960 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.225 -4.881 0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.010 -4.139 -1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.053 -3.009 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.724 -2.525 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -2.917 -2.903 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.475 -2.026 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.325 -4.863 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.237 -4.884 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.265 -6.031 -0.186 1.00 0.00 H new ATOM 1322 N ASN A 82 -0.851 -2.745 3.891 1.00 0.00 N ATOM 1323 CA ASN A 82 -0.435 -1.492 4.537 1.00 0.00 C ATOM 1324 C ASN A 82 0.644 -1.751 5.556 1.00 0.00 C ATOM 1325 O ASN A 82 1.574 -0.966 5.731 1.00 0.00 O ATOM 1326 CB ASN A 82 -1.626 -0.831 5.236 1.00 0.00 C ATOM 1327 CG ASN A 82 -1.246 0.395 6.046 1.00 0.00 C ATOM 1328 OD1 ASN A 82 -1.187 1.500 5.524 1.00 0.00 O ATOM 1329 ND2 ASN A 82 -1.025 0.211 7.338 1.00 0.00 N ATOM 0 H ASN A 82 -1.715 -3.138 4.264 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.050 -0.830 3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.366 -0.547 4.487 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.101 -1.559 5.894 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.796 1.006 7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.083 -0.726 7.737 1.00 0.00 H new ATOM 1336 N ASN A 83 0.508 -2.860 6.233 1.00 0.00 N ATOM 1337 CA ASN A 83 1.434 -3.231 7.264 1.00 0.00 C ATOM 1338 C ASN A 83 2.680 -3.829 6.610 1.00 0.00 C ATOM 1339 O ASN A 83 3.815 -3.594 7.037 1.00 0.00 O ATOM 1340 CB ASN A 83 0.693 -4.192 8.188 1.00 0.00 C ATOM 1341 CG ASN A 83 1.265 -5.601 8.208 1.00 0.00 C ATOM 1342 OD1 ASN A 83 0.863 -6.460 7.423 1.00 0.00 O ATOM 1343 ND2 ASN A 83 2.200 -5.851 9.111 1.00 0.00 N ATOM 0 H ASN A 83 -0.247 -3.529 6.084 1.00 0.00 H new ATOM 0 HA ASN A 83 1.783 -2.389 7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.710 -3.790 9.201 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.352 -4.240 7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.613 -6.782 9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.507 -5.113 9.745 1.00 0.00 H new ATOM 1350 N LYS A 84 2.433 -4.586 5.541 1.00 0.00 N ATOM 1351 CA LYS A 84 3.508 -5.034 4.668 1.00 0.00 C ATOM 1352 C LYS A 84 4.110 -3.825 3.966 1.00 0.00 C ATOM 1353 O LYS A 84 5.284 -3.813 3.640 1.00 0.00 O ATOM 1354 CB LYS A 84 2.996 -6.033 3.625 1.00 0.00 C ATOM 1355 CG LYS A 84 4.097 -6.731 2.837 1.00 0.00 C ATOM 1356 CD LYS A 84 4.921 -7.662 3.716 1.00 0.00 C ATOM 1357 CE LYS A 84 4.074 -8.788 4.291 1.00 0.00 C ATOM 1358 NZ LYS A 84 4.866 -9.693 5.162 1.00 0.00 N ATOM 0 H LYS A 84 1.503 -4.898 5.263 1.00 0.00 H new ATOM 0 HA LYS A 84 4.263 -5.536 5.273 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.390 -6.787 4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.341 -5.510 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.654 -7.301 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.751 -5.984 2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.740 -8.084 3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.370 -7.092 4.530 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.249 -8.364 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.634 -9.363 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.250 -10.445 5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.638 -10.118 4.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.265 -9.151 5.955 1.00 0.00 H new ATOM 1372 N LEU A 85 3.281 -2.811 3.742 1.00 0.00 N ATOM 1373 CA LEU A 85 3.717 -1.557 3.152 1.00 0.00 C ATOM 1374 C LEU A 85 4.732 -0.933 4.053 1.00 0.00 C ATOM 1375 O LEU A 85 5.854 -0.733 3.649 1.00 0.00 O ATOM 1376 CB LEU A 85 2.531 -0.608 2.924 1.00 0.00 C ATOM 1377 CG LEU A 85 2.837 0.714 2.216 1.00 0.00 C ATOM 1378 CD1 LEU A 85 1.647 1.140 1.373 1.00 0.00 C ATOM 1379 CD2 LEU A 85 3.174 1.802 3.226 1.00 0.00 C ATOM 0 H LEU A 85 2.286 -2.839 3.966 1.00 0.00 H new ATOM 0 HA LEU A 85 4.162 -1.752 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.777 -1.139 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.086 -0.381 3.893 1.00 0.00 H new ATOM 0 HG LEU A 85 3.701 0.565 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.874 2.082 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.437 0.374 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.775 1.270 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.388 2.733 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.328 1.950 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.048 1.503 3.805 1.00 0.00 H new ATOM 1391 N GLU A 86 4.353 -0.678 5.293 1.00 0.00 N ATOM 1392 CA GLU A 86 5.286 -0.157 6.259 1.00 0.00 C ATOM 1393 C GLU A 86 6.557 -0.995 6.247 1.00 0.00 C ATOM 1394 O GLU A 86 7.661 -0.461 6.118 1.00 0.00 O ATOM 1395 CB GLU A 86 4.650 -0.152 7.643 1.00 0.00 C ATOM 1396 CG GLU A 86 3.608 0.936 7.829 1.00 0.00 C ATOM 1397 CD GLU A 86 3.096 1.006 9.251 1.00 0.00 C ATOM 1398 OE1 GLU A 86 3.898 1.323 10.156 1.00 0.00 O ATOM 1399 OE2 GLU A 86 1.895 0.751 9.472 1.00 0.00 O ATOM 0 H GLU A 86 3.408 -0.825 5.648 1.00 0.00 H new ATOM 0 HA GLU A 86 5.546 0.869 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.187 -1.122 7.824 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.432 -0.027 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.038 1.899 7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.772 0.755 7.153 1.00 0.00 H new ATOM 1406 N ARG A 87 6.392 -2.316 6.307 1.00 0.00 N ATOM 1407 CA ARG A 87 7.543 -3.214 6.312 1.00 0.00 C ATOM 1408 C ARG A 87 8.394 -3.097 5.034 1.00 0.00 C ATOM 1409 O ARG A 87 9.619 -2.976 5.101 1.00 0.00 O ATOM 1410 CB ARG A 87 7.087 -4.634 6.505 1.00 0.00 C ATOM 1411 CG ARG A 87 8.218 -5.638 6.682 1.00 0.00 C ATOM 1412 CD ARG A 87 9.097 -5.288 7.876 1.00 0.00 C ATOM 1413 NE ARG A 87 8.328 -5.172 9.116 1.00 0.00 N ATOM 1414 CZ ARG A 87 8.821 -4.685 10.255 1.00 0.00 C ATOM 1415 NH1 ARG A 87 10.085 -4.282 10.321 1.00 0.00 N ATOM 1416 NH2 ARG A 87 8.046 -4.602 11.328 1.00 0.00 N ATOM 0 H ARG A 87 5.486 -2.782 6.352 1.00 0.00 H new ATOM 0 HA ARG A 87 8.180 -2.915 7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.437 -4.679 7.379 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.486 -4.930 5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.801 -6.636 6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.826 -5.665 5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.864 -6.053 7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.613 -4.348 7.682 1.00 0.00 H new ATOM 0 HE ARG A 87 7.356 -5.482 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.684 -4.344 9.498 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.457 -3.910 11.195 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.075 -4.910 11.281 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.421 -4.230 12.200 1.00 0.00 H new ATOM 1430 N GLN A 88 7.738 -3.056 3.883 1.00 0.00 N ATOM 1431 CA GLN A 88 8.423 -3.196 2.600 1.00 0.00 C ATOM 1432 C GLN A 88 8.921 -1.847 2.171 1.00 0.00 C ATOM 1433 O GLN A 88 10.060 -1.680 1.741 1.00 0.00 O ATOM 1434 CB GLN A 88 7.468 -3.737 1.533 1.00 0.00 C ATOM 1435 CG GLN A 88 7.843 -5.107 0.989 1.00 0.00 C ATOM 1436 CD GLN A 88 9.232 -5.135 0.381 1.00 0.00 C ATOM 1437 OE1 GLN A 88 9.412 -4.841 -0.804 1.00 0.00 O ATOM 1438 NE2 GLN A 88 10.219 -5.512 1.178 1.00 0.00 N ATOM 0 H GLN A 88 6.729 -2.927 3.808 1.00 0.00 H new ATOM 0 HA GLN A 88 9.252 -3.895 2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.464 -3.789 1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.429 -3.029 0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.788 -5.840 1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.115 -5.406 0.235 1.00 0.00 H new ATOM 0 HE21 GLN A 88 10.027 -5.746 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.172 -5.568 0.818 1.00 0.00 H new ATOM 1447 N VAL A 89 8.028 -0.898 2.303 1.00 0.00 N ATOM 1448 CA VAL A 89 8.306 0.487 2.055 1.00 0.00 C ATOM 1449 C VAL A 89 9.515 0.937 2.850 1.00 0.00 C ATOM 1450 O VAL A 89 10.445 1.534 2.307 1.00 0.00 O ATOM 1451 CB VAL A 89 7.078 1.338 2.413 1.00 0.00 C ATOM 1452 CG1 VAL A 89 7.452 2.759 2.810 1.00 0.00 C ATOM 1453 CG2 VAL A 89 6.110 1.362 1.248 1.00 0.00 C ATOM 0 H VAL A 89 7.066 -1.076 2.593 1.00 0.00 H new ATOM 0 HA VAL A 89 8.528 0.618 0.996 1.00 0.00 H new ATOM 0 HB VAL A 89 6.604 0.876 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.549 3.318 3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.108 2.733 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.967 3.245 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.242 1.967 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.602 1.791 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.789 0.345 1.021 1.00 0.00 H new ATOM 1463 N ARG A 90 9.503 0.620 4.136 1.00 0.00 N ATOM 1464 CA ARG A 90 10.626 0.968 4.999 1.00 0.00 C ATOM 1465 C ARG A 90 11.864 0.197 4.611 1.00 0.00 C ATOM 1466 O ARG A 90 12.935 0.774 4.523 1.00 0.00 O ATOM 1467 CB ARG A 90 10.350 0.738 6.477 1.00 0.00 C ATOM 1468 CG ARG A 90 9.456 1.796 7.103 1.00 0.00 C ATOM 1469 CD ARG A 90 9.281 1.569 8.594 1.00 0.00 C ATOM 1470 NE ARG A 90 8.654 0.282 8.889 1.00 0.00 N ATOM 1471 CZ ARG A 90 8.579 -0.247 10.112 1.00 0.00 C ATOM 1472 NH1 ARG A 90 9.122 0.384 11.149 1.00 0.00 N ATOM 1473 NH2 ARG A 90 7.972 -1.411 10.297 1.00 0.00 N ATOM 0 H ARG A 90 8.740 0.129 4.602 1.00 0.00 H new ATOM 0 HA ARG A 90 10.782 2.037 4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.884 -0.239 6.603 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.298 0.711 7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.885 2.783 6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.481 1.784 6.616 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.254 1.617 9.083 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.673 2.371 9.013 1.00 0.00 H new ATOM 0 HE ARG A 90 8.250 -0.243 8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.598 1.276 11.011 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.063 -0.024 12.082 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.561 -1.904 9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.916 -1.814 11.232 1.00 0.00 H new ATOM 1487 N LYS A 91 11.731 -1.103 4.367 1.00 0.00 N ATOM 1488 CA LYS A 91 12.891 -1.897 4.015 1.00 0.00 C ATOM 1489 C LYS A 91 13.537 -1.368 2.753 1.00 0.00 C ATOM 1490 O LYS A 91 14.760 -1.310 2.648 1.00 0.00 O ATOM 1491 CB LYS A 91 12.547 -3.345 3.876 1.00 0.00 C ATOM 1492 CG LYS A 91 12.524 -4.097 5.196 1.00 0.00 C ATOM 1493 CD LYS A 91 12.400 -5.599 4.993 1.00 0.00 C ATOM 1494 CE LYS A 91 13.665 -6.187 4.387 1.00 0.00 C ATOM 1495 NZ LYS A 91 13.586 -7.665 4.262 1.00 0.00 N ATOM 0 H LYS A 91 10.850 -1.615 4.406 1.00 0.00 H new ATOM 0 HA LYS A 91 13.610 -1.812 4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.570 -3.433 3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.269 -3.819 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.436 -3.880 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.689 -3.743 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.196 -6.081 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.552 -5.810 4.342 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.834 -5.748 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.522 -5.921 5.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.468 -8.026 3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.451 -8.086 5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.784 -7.919 3.650 1.00 0.00 H new ATOM 1509 N TYR A 92 12.706 -0.931 1.822 1.00 0.00 N ATOM 1510 CA TYR A 92 13.193 -0.399 0.558 1.00 0.00 C ATOM 1511 C TYR A 92 13.835 0.973 0.760 1.00 0.00 C ATOM 1512 O TYR A 92 14.986 1.183 0.370 1.00 0.00 O ATOM 1513 CB TYR A 92 12.061 -0.305 -0.471 1.00 0.00 C ATOM 1514 CG TYR A 92 12.553 -0.089 -1.890 1.00 0.00 C ATOM 1515 CD1 TYR A 92 12.809 1.188 -2.377 1.00 0.00 C ATOM 1516 CD2 TYR A 92 12.769 -1.167 -2.738 1.00 0.00 C ATOM 1517 CE1 TYR A 92 13.268 1.381 -3.668 1.00 0.00 C ATOM 1518 CE2 TYR A 92 13.225 -0.983 -4.029 1.00 0.00 C ATOM 1519 CZ TYR A 92 13.474 0.293 -4.488 1.00 0.00 C ATOM 1520 OH TYR A 92 13.934 0.479 -5.774 1.00 0.00 O ATOM 0 H TYR A 92 11.690 -0.934 1.916 1.00 0.00 H new ATOM 0 HA TYR A 92 13.949 -1.086 0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.470 -1.220 -0.435 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.397 0.514 -0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.647 2.043 -1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.577 -2.168 -2.382 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.464 2.379 -4.031 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.385 -1.834 -4.675 1.00 0.00 H new ATOM 0 HH TYR A 92 14.026 -0.390 -6.217 1.00 0.00 H new ATOM 1530 N LYS A 93 13.095 1.899 1.378 1.00 0.00 N ATOM 1531 CA LYS A 93 13.591 3.262 1.562 1.00 0.00 C ATOM 1532 C LYS A 93 14.778 3.282 2.519 1.00 0.00 C ATOM 1533 O LYS A 93 15.725 4.030 2.321 1.00 0.00 O ATOM 1534 CB LYS A 93 12.494 4.209 2.072 1.00 0.00 C ATOM 1535 CG LYS A 93 12.039 3.935 3.494 1.00 0.00 C ATOM 1536 CD LYS A 93 11.219 5.085 4.059 1.00 0.00 C ATOM 1537 CE LYS A 93 9.901 5.256 3.323 1.00 0.00 C ATOM 1538 NZ LYS A 93 9.108 6.386 3.870 1.00 0.00 N ATOM 0 H LYS A 93 12.162 1.731 1.754 1.00 0.00 H new ATOM 0 HA LYS A 93 13.914 3.617 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.859 5.234 2.012 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.633 4.138 1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.445 3.021 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.910 3.765 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.024 4.907 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.794 6.008 3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.095 5.427 2.264 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.321 4.336 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.094 6.168 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.356 6.532 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.318 7.250 3.331 1.00 0.00 H new ATOM 1552 N THR A 94 14.726 2.449 3.548 1.00 0.00 N ATOM 1553 CA THR A 94 15.805 2.361 4.511 1.00 0.00 C ATOM 1554 C THR A 94 17.043 1.714 3.878 1.00 0.00 C ATOM 1555 O THR A 94 18.161 2.196 4.062 1.00 0.00 O ATOM 1556 CB THR A 94 15.350 1.603 5.789 1.00 0.00 C ATOM 1557 OG1 THR A 94 14.496 2.451 6.572 1.00 0.00 O ATOM 1558 CG2 THR A 94 16.536 1.151 6.629 1.00 0.00 C ATOM 0 H THR A 94 13.943 1.823 3.735 1.00 0.00 H new ATOM 0 HA THR A 94 16.079 3.371 4.814 1.00 0.00 H new ATOM 0 HB THR A 94 14.806 0.712 5.476 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.208 1.972 7.377 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.176 0.625 7.513 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.165 0.483 6.041 1.00 0.00 H new ATOM 0 HG23 THR A 94 17.117 2.021 6.936 1.00 0.00 H new ATOM 1566 N ARG A 95 16.838 0.651 3.096 1.00 0.00 N ATOM 1567 CA ARG A 95 17.944 0.014 2.387 1.00 0.00 C ATOM 1568 C ARG A 95 18.583 0.991 1.409 1.00 0.00 C ATOM 1569 O ARG A 95 19.800 1.152 1.403 1.00 0.00 O ATOM 1570 CB ARG A 95 17.479 -1.246 1.648 1.00 0.00 C ATOM 1571 CG ARG A 95 18.517 -1.842 0.702 1.00 0.00 C ATOM 1572 CD ARG A 95 19.802 -2.229 1.421 1.00 0.00 C ATOM 1573 NE ARG A 95 20.794 -2.779 0.494 1.00 0.00 N ATOM 1574 CZ ARG A 95 22.113 -2.658 0.643 1.00 0.00 C ATOM 1575 NH1 ARG A 95 22.616 -1.988 1.675 1.00 0.00 N ATOM 1576 NH2 ARG A 95 22.933 -3.205 -0.249 1.00 0.00 N ATOM 0 H ARG A 95 15.927 0.219 2.940 1.00 0.00 H new ATOM 0 HA ARG A 95 18.687 -0.283 3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.199 -2.001 2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.581 -1.008 1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 95 18.097 -2.722 0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 95 18.746 -1.121 -0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 95 20.217 -1.354 1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 95 19.580 -2.964 2.195 1.00 0.00 H new ATOM 0 HE ARG A 95 20.452 -3.289 -0.321 1.00 0.00 H new ATOM 0 HH11 ARG A 95 21.991 -1.562 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 95 23.627 -1.900 1.782 1.00 0.00 H new ATOM 0 HH21 ARG A 95 22.552 -3.716 -1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 95 23.943 -3.114 -0.137 1.00 0.00 H new ATOM 1590 N ILE A 96 17.768 1.658 0.596 1.00 0.00 N ATOM 1591 CA ILE A 96 18.306 2.589 -0.387 1.00 0.00 C ATOM 1592 C ILE A 96 18.919 3.805 0.311 1.00 0.00 C ATOM 1593 O ILE A 96 19.902 4.366 -0.163 1.00 0.00 O ATOM 1594 CB ILE A 96 17.245 3.039 -1.430 1.00 0.00 C ATOM 1595 CG1 ILE A 96 17.909 3.776 -2.598 1.00 0.00 C ATOM 1596 CG2 ILE A 96 16.188 3.926 -0.795 1.00 0.00 C ATOM 1597 CD1 ILE A 96 18.846 2.910 -3.413 1.00 0.00 C ATOM 0 H ILE A 96 16.752 1.573 0.598 1.00 0.00 H new ATOM 0 HA ILE A 96 19.083 2.058 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 96 16.758 2.140 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 96 17.133 4.173 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 96 18.464 4.629 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 96 15.461 4.224 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.682 3.377 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 96 16.662 4.814 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 96 19.277 3.501 -4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 96 19.644 2.534 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 96 18.292 2.070 -3.833 1.00 0.00 H new ATOM 1609 N ASN A 97 18.359 4.181 1.457 1.00 0.00 N ATOM 1610 CA ASN A 97 18.885 5.297 2.240 1.00 0.00 C ATOM 1611 C ASN A 97 20.276 4.964 2.766 1.00 0.00 C ATOM 1612 O ASN A 97 21.201 5.765 2.647 1.00 0.00 O ATOM 1613 CB ASN A 97 17.948 5.629 3.409 1.00 0.00 C ATOM 1614 CG ASN A 97 18.352 6.881 4.170 1.00 0.00 C ATOM 1615 OD1 ASN A 97 18.143 6.978 5.381 1.00 0.00 O ATOM 1616 ND2 ASN A 97 18.908 7.857 3.468 1.00 0.00 N ATOM 0 H ASN A 97 17.540 3.730 1.865 1.00 0.00 H new ATOM 0 HA ASN A 97 18.951 6.169 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.935 5.756 3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.926 4.785 4.098 1.00 0.00 H new ATOM 0 HD21 ASN A 97 19.179 8.726 3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 97 19.065 7.740 2.467 1.00 0.00 H new ATOM 1623 N ARG A 98 20.424 3.769 3.333 1.00 0.00 N ATOM 1624 CA ARG A 98 21.718 3.328 3.853 1.00 0.00 C ATOM 1625 C ARG A 98 22.689 3.032 2.711 1.00 0.00 C ATOM 1626 O ARG A 98 23.904 3.156 2.862 1.00 0.00 O ATOM 1627 CB ARG A 98 21.555 2.081 4.727 1.00 0.00 C ATOM 1628 CG ARG A 98 20.651 2.284 5.933 1.00 0.00 C ATOM 1629 CD ARG A 98 21.144 3.410 6.825 1.00 0.00 C ATOM 1630 NE ARG A 98 20.288 3.592 7.996 1.00 0.00 N ATOM 1631 CZ ARG A 98 19.832 4.771 8.414 1.00 0.00 C ATOM 1632 NH1 ARG A 98 20.140 5.881 7.754 1.00 0.00 N ATOM 1633 NH2 ARG A 98 19.065 4.842 9.491 1.00 0.00 N ATOM 0 H ARG A 98 19.670 3.092 3.444 1.00 0.00 H new ATOM 0 HA ARG A 98 22.125 4.136 4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 98 21.153 1.272 4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.538 1.761 5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 98 19.639 2.505 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.600 1.360 6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 98 22.163 3.197 7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.179 4.337 6.253 1.00 0.00 H new ATOM 0 HE ARG A 98 20.023 2.762 8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 98 20.729 5.833 6.922 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.788 6.782 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.823 3.993 10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 98 18.716 5.746 9.810 1.00 0.00 H new ATOM 1647 N LYS A 99 22.145 2.637 1.571 1.00 0.00 N ATOM 1648 CA LYS A 99 22.952 2.326 0.399 1.00 0.00 C ATOM 1649 C LYS A 99 23.452 3.610 -0.260 1.00 0.00 C ATOM 1650 O LYS A 99 24.521 3.636 -0.869 1.00 0.00 O ATOM 1651 CB LYS A 99 22.128 1.502 -0.595 1.00 0.00 C ATOM 1652 CG LYS A 99 22.947 0.847 -1.693 1.00 0.00 C ATOM 1653 CD LYS A 99 22.060 0.059 -2.645 1.00 0.00 C ATOM 1654 CE LYS A 99 22.875 -0.685 -3.689 1.00 0.00 C ATOM 1655 NZ LYS A 99 23.745 0.230 -4.473 1.00 0.00 N ATOM 0 H LYS A 99 21.141 2.523 1.431 1.00 0.00 H new ATOM 0 HA LYS A 99 23.818 1.742 0.711 1.00 0.00 H new ATOM 0 HB2 LYS A 99 21.589 0.728 -0.049 1.00 0.00 H new ATOM 0 HB3 LYS A 99 21.379 2.149 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 99 23.493 1.610 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 99 23.689 0.183 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 99 21.460 -0.652 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 99 21.366 0.738 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 99 23.491 -1.439 -3.198 1.00 0.00 H new ATOM 0 HE3 LYS A 99 22.203 -1.213 -4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 24.153 -0.285 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 23.181 1.030 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 24.511 0.586 -3.866 1.00 0.00 H new ATOM 1669 N SER A 100 22.691 4.687 -0.103 1.00 0.00 N ATOM 1670 CA SER A 100 23.040 5.971 -0.700 1.00 0.00 C ATOM 1671 C SER A 100 24.023 6.746 0.176 1.00 0.00 C ATOM 1672 O SER A 100 24.040 7.977 0.175 1.00 0.00 O ATOM 1673 CB SER A 100 21.782 6.800 -0.955 1.00 0.00 C ATOM 1674 OG SER A 100 20.894 6.115 -1.826 1.00 0.00 O ATOM 0 H SER A 100 21.825 4.696 0.435 1.00 0.00 H new ATOM 0 HA SER A 100 23.530 5.773 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 100 21.282 7.010 -0.010 1.00 0.00 H new ATOM 0 HB3 SER A 100 22.056 7.761 -1.390 1.00 0.00 H new ATOM 0 HG SER A 100 20.422 5.415 -1.328 1.00 0.00 H new ATOM 1680 N ARG A 101 24.838 6.018 0.927 1.00 0.00 N ATOM 1681 CA ARG A 101 25.911 6.622 1.704 1.00 0.00 C ATOM 1682 C ARG A 101 27.166 6.746 0.850 1.00 0.00 C ATOM 1683 O ARG A 101 28.250 7.041 1.351 1.00 0.00 O ATOM 1684 CB ARG A 101 26.211 5.789 2.952 1.00 0.00 C ATOM 1685 CG ARG A 101 25.202 5.967 4.076 1.00 0.00 C ATOM 1686 CD ARG A 101 25.306 7.349 4.703 1.00 0.00 C ATOM 1687 NE ARG A 101 24.499 7.465 5.918 1.00 0.00 N ATOM 1688 CZ ARG A 101 24.871 8.160 6.995 1.00 0.00 C ATOM 1689 NH1 ARG A 101 26.018 8.828 6.995 1.00 0.00 N ATOM 1690 NH2 ARG A 101 24.089 8.197 8.068 1.00 0.00 N ATOM 0 H ARG A 101 24.776 5.004 1.015 1.00 0.00 H new ATOM 0 HA ARG A 101 25.591 7.615 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 101 26.246 4.736 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 101 27.201 6.053 3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 101 24.194 5.816 3.689 1.00 0.00 H new ATOM 0 HG3 ARG A 101 25.367 5.206 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 101 26.349 7.562 4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 101 24.983 8.099 3.981 1.00 0.00 H new ATOM 0 HE ARG A 101 23.599 6.986 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 101 26.618 8.811 6.170 1.00 0.00 H new ATOM 0 HH12 ARG A 101 26.299 9.358 7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.202 7.694 8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 101 24.376 8.729 8.890 1.00 0.00 H new ATOM 1704 N ASP A 102 26.989 6.507 -0.450 1.00 0.00 N ATOM 1705 CA ASP A 102 28.073 6.571 -1.427 1.00 0.00 C ATOM 1706 C ASP A 102 29.135 5.527 -1.126 1.00 0.00 C ATOM 1707 O ASP A 102 30.322 5.836 -0.993 1.00 0.00 O ATOM 1708 CB ASP A 102 28.687 7.974 -1.494 1.00 0.00 C ATOM 1709 CG ASP A 102 27.715 8.999 -2.039 1.00 0.00 C ATOM 1710 OD1 ASP A 102 27.351 9.936 -1.296 1.00 0.00 O ATOM 1711 OD2 ASP A 102 27.295 8.863 -3.211 1.00 0.00 O ATOM 0 H ASP A 102 26.085 6.263 -0.855 1.00 0.00 H new ATOM 0 HA ASP A 102 27.648 6.352 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 102 29.009 8.276 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 102 29.577 7.949 -2.123 1.00 0.00 H new ATOM 1716 N ARG A 103 28.687 4.285 -1.010 1.00 0.00 N ATOM 1717 CA ARG A 103 29.577 3.158 -0.788 1.00 0.00 C ATOM 1718 C ARG A 103 30.199 2.729 -2.104 1.00 0.00 C ATOM 1719 O ARG A 103 31.324 2.226 -2.143 1.00 0.00 O ATOM 1720 CB ARG A 103 28.807 1.982 -0.181 1.00 0.00 C ATOM 1721 CG ARG A 103 28.271 2.247 1.215 1.00 0.00 C ATOM 1722 CD ARG A 103 29.399 2.367 2.223 1.00 0.00 C ATOM 1723 NE ARG A 103 28.907 2.534 3.585 1.00 0.00 N ATOM 1724 CZ ARG A 103 29.667 2.403 4.669 1.00 0.00 C ATOM 1725 NH1 ARG A 103 30.955 2.100 4.555 1.00 0.00 N ATOM 1726 NH2 ARG A 103 29.131 2.573 5.869 1.00 0.00 N ATOM 0 H ARG A 103 27.700 4.032 -1.067 1.00 0.00 H new ATOM 0 HA ARG A 103 30.361 3.464 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 103 27.974 1.730 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 103 29.462 1.111 -0.148 1.00 0.00 H new ATOM 0 HG2 ARG A 103 27.682 3.164 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 103 27.601 1.439 1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 103 30.026 1.477 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 103 30.030 3.216 1.960 1.00 0.00 H new ATOM 0 HE ARG A 103 27.922 2.765 3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 103 31.368 1.966 3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 103 31.532 2.001 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 103 28.141 2.803 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 103 29.708 2.474 6.704 1.00 0.00 H new ATOM 1740 N GLY A 104 29.458 2.945 -3.182 1.00 0.00 N ATOM 1741 CA GLY A 104 29.900 2.505 -4.484 1.00 0.00 C ATOM 1742 C GLY A 104 29.858 1.003 -4.582 1.00 0.00 C ATOM 1743 O GLY A 104 30.889 0.358 -4.752 1.00 0.00 O ATOM 0 H GLY A 104 28.555 3.420 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 104 29.266 2.942 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 104 30.915 2.858 -4.667 1.00 0.00 H new ATOM 1747 N ASP A 105 28.657 0.450 -4.460 1.00 0.00 N ATOM 1748 CA ASP A 105 28.466 -0.995 -4.422 1.00 0.00 C ATOM 1749 C ASP A 105 28.905 -1.638 -5.725 1.00 0.00 C ATOM 1750 O ASP A 105 29.365 -2.781 -5.743 1.00 0.00 O ATOM 1751 CB ASP A 105 26.995 -1.337 -4.169 1.00 0.00 C ATOM 1752 CG ASP A 105 26.451 -0.704 -2.908 1.00 0.00 C ATOM 1753 OD1 ASP A 105 26.490 -1.356 -1.844 1.00 0.00 O ATOM 1754 OD2 ASP A 105 25.961 0.443 -2.984 1.00 0.00 O ATOM 0 H ASP A 105 27.793 0.987 -4.385 1.00 0.00 H new ATOM 0 HA ASP A 105 29.078 -1.384 -3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.399 -1.008 -5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 105 26.885 -2.419 -4.102 1.00 0.00 H new ATOM 1759 N GLN A 106 28.760 -0.898 -6.814 1.00 0.00 N ATOM 1760 CA GLN A 106 29.156 -1.383 -8.124 1.00 0.00 C ATOM 1761 C GLN A 106 30.648 -1.177 -8.342 1.00 0.00 C ATOM 1762 O GLN A 106 31.378 -2.123 -8.627 1.00 0.00 O ATOM 1763 CB GLN A 106 28.364 -0.672 -9.220 1.00 0.00 C ATOM 1764 CG GLN A 106 26.871 -0.952 -9.171 1.00 0.00 C ATOM 1765 CD GLN A 106 26.115 -0.226 -10.261 1.00 0.00 C ATOM 1766 OE1 GLN A 106 25.947 -0.741 -11.366 1.00 0.00 O ATOM 1767 NE2 GLN A 106 25.653 0.975 -9.958 1.00 0.00 N ATOM 0 H GLN A 106 28.369 0.044 -6.814 1.00 0.00 H new ATOM 0 HA GLN A 106 28.940 -2.450 -8.171 1.00 0.00 H new ATOM 0 HB2 GLN A 106 28.527 0.402 -9.135 1.00 0.00 H new ATOM 0 HB3 GLN A 106 28.751 -0.977 -10.192 1.00 0.00 H new ATOM 0 HG2 GLN A 106 26.701 -2.024 -9.267 1.00 0.00 H new ATOM 0 HG3 GLN A 106 26.479 -0.653 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 106 25.815 1.364 -9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 106 25.134 1.512 -10.653 1.00 0.00 H new ATOM 1776 N GLU A 107 31.099 0.059 -8.196 1.00 0.00 N ATOM 1777 CA GLU A 107 32.500 0.380 -8.410 1.00 0.00 C ATOM 1778 C GLU A 107 33.233 0.467 -7.076 1.00 0.00 C ATOM 1779 O GLU A 107 33.295 1.532 -6.460 1.00 0.00 O ATOM 1780 CB GLU A 107 32.635 1.700 -9.173 1.00 0.00 C ATOM 1781 CG GLU A 107 31.849 1.735 -10.475 1.00 0.00 C ATOM 1782 CD GLU A 107 32.182 0.579 -11.395 1.00 0.00 C ATOM 1783 OE1 GLU A 107 33.316 0.533 -11.912 1.00 0.00 O ATOM 1784 OE2 GLU A 107 31.299 -0.280 -11.624 1.00 0.00 O ATOM 0 H GLU A 107 30.517 0.854 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 107 32.949 -0.415 -9.006 1.00 0.00 H new ATOM 0 HB2 GLU A 107 32.298 2.516 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 107 33.688 1.879 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 107 30.783 1.719 -10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 107 32.052 2.674 -10.991 1.00 0.00 H new ATOM 1791 N VAL A 108 33.776 -0.656 -6.625 1.00 0.00 N ATOM 1792 CA VAL A 108 34.464 -0.701 -5.341 1.00 0.00 C ATOM 1793 C VAL A 108 35.971 -0.763 -5.545 1.00 0.00 C ATOM 1794 O VAL A 108 36.746 -0.862 -4.594 1.00 0.00 O ATOM 1795 CB VAL A 108 34.021 -1.910 -4.485 1.00 0.00 C ATOM 1796 CG1 VAL A 108 34.322 -1.669 -3.013 1.00 0.00 C ATOM 1797 CG2 VAL A 108 32.547 -2.221 -4.691 1.00 0.00 C ATOM 0 H VAL A 108 33.754 -1.544 -7.126 1.00 0.00 H new ATOM 0 HA VAL A 108 34.197 0.212 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 108 34.593 -2.778 -4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 108 34.002 -2.533 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 108 35.393 -1.519 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 108 33.787 -0.783 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 108 32.266 -3.076 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 108 31.949 -1.356 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 108 32.368 -2.455 -5.740 1.00 0.00 H new ATOM 1807 N PHE A 109 36.377 -0.693 -6.792 1.00 0.00 N ATOM 1808 CA PHE A 109 37.786 -0.784 -7.141 1.00 0.00 C ATOM 1809 C PHE A 109 38.184 0.328 -8.104 1.00 0.00 C ATOM 1810 O PHE A 109 38.861 0.091 -9.104 1.00 0.00 O ATOM 1811 CB PHE A 109 38.105 -2.158 -7.743 1.00 0.00 C ATOM 1812 CG PHE A 109 37.913 -3.293 -6.775 1.00 0.00 C ATOM 1813 CD1 PHE A 109 38.850 -3.537 -5.784 1.00 0.00 C ATOM 1814 CD2 PHE A 109 36.795 -4.109 -6.850 1.00 0.00 C ATOM 1815 CE1 PHE A 109 38.675 -4.574 -4.888 1.00 0.00 C ATOM 1816 CE2 PHE A 109 36.616 -5.148 -5.957 1.00 0.00 C ATOM 1817 CZ PHE A 109 37.557 -5.380 -4.973 1.00 0.00 C ATOM 0 H PHE A 109 35.752 -0.573 -7.589 1.00 0.00 H new ATOM 0 HA PHE A 109 38.368 -0.663 -6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 109 37.470 -2.321 -8.614 1.00 0.00 H new ATOM 0 HB3 PHE A 109 39.136 -2.161 -8.096 1.00 0.00 H new ATOM 0 HD1 PHE A 109 39.726 -2.910 -5.711 1.00 0.00 H new ATOM 0 HD2 PHE A 109 36.055 -3.930 -7.616 1.00 0.00 H new ATOM 0 HE1 PHE A 109 39.413 -4.754 -4.121 1.00 0.00 H new ATOM 0 HE2 PHE A 109 35.742 -5.778 -6.028 1.00 0.00 H new ATOM 0 HZ PHE A 109 37.419 -6.190 -4.272 1.00 0.00 H new ATOM 1827 N VAL A 110 37.765 1.545 -7.789 1.00 0.00 N ATOM 1828 CA VAL A 110 38.096 2.701 -8.606 1.00 0.00 C ATOM 1829 C VAL A 110 38.822 3.760 -7.769 1.00 0.00 C ATOM 1830 O VAL A 110 38.206 4.344 -6.850 1.00 0.00 O ATOM 1831 CB VAL A 110 36.845 3.300 -9.301 1.00 0.00 C ATOM 1832 CG1 VAL A 110 35.746 3.635 -8.300 1.00 0.00 C ATOM 1833 CG2 VAL A 110 37.219 4.528 -10.122 1.00 0.00 C ATOM 1834 OXT VAL A 110 40.022 3.989 -8.024 1.00 0.00 O ATOM 0 H VAL A 110 37.194 1.757 -6.971 1.00 0.00 H new ATOM 0 HA VAL A 110 38.767 2.364 -9.396 1.00 0.00 H new ATOM 0 HB VAL A 110 36.452 2.539 -9.975 1.00 0.00 H new ATOM 0 HG11 VAL A 110 34.888 4.052 -8.828 1.00 0.00 H new ATOM 0 HG12 VAL A 110 35.444 2.729 -7.775 1.00 0.00 H new ATOM 0 HG13 VAL A 110 36.119 4.364 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 110 36.327 4.931 -10.600 1.00 0.00 H new ATOM 0 HG22 VAL A 110 37.654 5.284 -9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 110 37.945 4.248 -10.886 1.00 0.00 H new TER 1844 VAL A 110