USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 857 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 Single : A 1 MET CE :methyl -159:sc= -0.132 (180deg=-0.902) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.549 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -91:sc= -1.87! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -3.35 K(o=-3.4,f=-5.5!) USER MOD Single : A 29 ASN : amide:sc= 1.03 K(o=1,f=-0.038) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -100:sc= -1.61 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -9.07! C(o=-9.1!,f=-10!) USER MOD Single : A 44 HIS : no HD1:sc= -0.669 X(o=-0.67,f=-0.22) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 170:sc= 0.599 USER MOD Single : A 53 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.24) USER MOD Single : A 54 SER OG : rot -56:sc= 0.0354 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -88:sc= 0.206 USER MOD Single : A 78 MET CE :methyl -142:sc= -1.59! (180deg=-3.13!) USER MOD Single : A 80 HIS : no HD1:sc= -0.0959 X(o=-0.096,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -4.13! C(o=-4.7!,f=-4.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 150:sc= -0.142 (180deg=-1.3) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-2.9!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.384 USER MOD Single : A 103 ASN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 104 SER OG : rot 13:sc= 1.14 USER MOD Single : A 106 SER OG : rot 180:sc= -0.103 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 20.889 -2.902 -15.040 1.00 0.00 N ATOM 2 CA GLY A -6 21.603 -2.186 -16.081 1.00 0.00 C ATOM 3 C GLY A -6 22.699 -1.297 -15.526 1.00 0.00 C ATOM 4 O GLY A -6 23.644 -1.781 -14.904 1.00 0.00 O ATOM 0 H1 GLY A -6 20.151 -3.495 -15.470 1.00 0.00 H new ATOM 0 H2 GLY A -6 21.554 -3.504 -14.514 1.00 0.00 H new ATOM 0 H3 GLY A -6 20.450 -2.221 -14.389 1.00 0.00 H new ATOM 0 HA2 GLY A -6 22.038 -2.903 -16.777 1.00 0.00 H new ATOM 0 HA3 GLY A -6 20.898 -1.578 -16.648 1.00 0.00 H new ATOM 8 N SER A -5 22.573 0.006 -15.753 1.00 0.00 N ATOM 9 CA SER A -5 23.563 0.965 -15.276 1.00 0.00 C ATOM 10 C SER A -5 23.086 1.649 -13.999 1.00 0.00 C ATOM 11 O SER A -5 22.470 2.714 -14.045 1.00 0.00 O ATOM 12 CB SER A -5 23.850 2.013 -16.353 1.00 0.00 C ATOM 13 OG SER A -5 24.615 1.461 -17.411 1.00 0.00 O ATOM 0 H SER A -5 21.795 0.422 -16.264 1.00 0.00 H new ATOM 0 HA SER A -5 24.481 0.421 -15.055 1.00 0.00 H new ATOM 0 HB2 SER A -5 22.911 2.403 -16.745 1.00 0.00 H new ATOM 0 HB3 SER A -5 24.386 2.854 -15.913 1.00 0.00 H new ATOM 0 HG SER A -5 24.783 2.150 -18.087 1.00 0.00 H new ATOM 19 N SER A -4 23.375 1.029 -12.859 1.00 0.00 N ATOM 20 CA SER A -4 22.972 1.575 -11.568 1.00 0.00 C ATOM 21 C SER A -4 21.455 1.714 -11.487 1.00 0.00 C ATOM 22 O SER A -4 20.938 2.713 -10.989 1.00 0.00 O ATOM 23 CB SER A -4 23.633 2.935 -11.338 1.00 0.00 C ATOM 24 OG SER A -4 25.046 2.827 -11.370 1.00 0.00 O ATOM 0 H SER A -4 23.887 0.148 -12.803 1.00 0.00 H new ATOM 0 HA SER A -4 23.298 0.884 -10.791 1.00 0.00 H new ATOM 0 HB2 SER A -4 23.301 3.638 -12.102 1.00 0.00 H new ATOM 0 HB3 SER A -4 23.318 3.338 -10.376 1.00 0.00 H new ATOM 0 HG SER A -4 25.445 3.710 -11.222 1.00 0.00 H new ATOM 30 N GLY A -3 20.747 0.702 -11.979 1.00 0.00 N ATOM 31 CA GLY A -3 19.296 0.730 -11.953 1.00 0.00 C ATOM 32 C GLY A -3 18.733 2.049 -12.445 1.00 0.00 C ATOM 33 O GLY A -3 19.293 2.674 -13.345 1.00 0.00 O ATOM 0 H GLY A -3 21.152 -0.137 -12.395 1.00 0.00 H new ATOM 0 HA2 GLY A -3 18.909 -0.080 -12.571 1.00 0.00 H new ATOM 0 HA3 GLY A -3 18.950 0.548 -10.935 1.00 0.00 H new ATOM 37 N SER A -2 17.620 2.472 -11.854 1.00 0.00 N ATOM 38 CA SER A -2 16.977 3.722 -12.241 1.00 0.00 C ATOM 39 C SER A -2 16.936 4.698 -11.069 1.00 0.00 C ATOM 40 O SER A -2 15.942 4.778 -10.348 1.00 0.00 O ATOM 41 CB SER A -2 15.557 3.455 -12.746 1.00 0.00 C ATOM 42 OG SER A -2 14.982 4.629 -13.293 1.00 0.00 O ATOM 0 H SER A -2 17.145 1.967 -11.106 1.00 0.00 H new ATOM 0 HA SER A -2 17.563 4.169 -13.044 1.00 0.00 H new ATOM 0 HB2 SER A -2 15.578 2.670 -13.502 1.00 0.00 H new ATOM 0 HB3 SER A -2 14.938 3.091 -11.926 1.00 0.00 H new ATOM 0 HG SER A -2 14.076 4.432 -13.610 1.00 0.00 H new ATOM 48 N SER A -1 18.025 5.438 -10.886 1.00 0.00 N ATOM 49 CA SER A -1 18.117 6.407 -9.800 1.00 0.00 C ATOM 50 C SER A -1 18.044 7.833 -10.336 1.00 0.00 C ATOM 51 O SER A -1 18.274 8.076 -11.520 1.00 0.00 O ATOM 52 CB SER A -1 19.419 6.209 -9.021 1.00 0.00 C ATOM 53 OG SER A -1 19.266 6.593 -7.666 1.00 0.00 O ATOM 0 H SER A -1 18.856 5.385 -11.476 1.00 0.00 H new ATOM 0 HA SER A -1 17.272 6.246 -9.130 1.00 0.00 H new ATOM 0 HB2 SER A -1 19.723 5.163 -9.074 1.00 0.00 H new ATOM 0 HB3 SER A -1 20.214 6.796 -9.481 1.00 0.00 H new ATOM 0 HG SER A -1 20.111 6.455 -7.190 1.00 0.00 H new ATOM 59 N GLY A 0 17.722 8.775 -9.454 1.00 0.00 N ATOM 60 CA GLY A 0 17.624 10.166 -9.856 1.00 0.00 C ATOM 61 C GLY A 0 18.656 10.541 -10.901 1.00 0.00 C ATOM 62 O GLY A 0 18.332 10.680 -12.080 1.00 0.00 O ATOM 0 H GLY A 0 17.527 8.599 -8.468 1.00 0.00 H new ATOM 0 HA2 GLY A 0 16.626 10.358 -10.250 1.00 0.00 H new ATOM 0 HA3 GLY A 0 17.749 10.804 -8.981 1.00 0.00 H new ATOM 66 N MET A 1 19.901 10.708 -10.468 1.00 0.00 N ATOM 67 CA MET A 1 20.983 11.070 -11.375 1.00 0.00 C ATOM 68 C MET A 1 22.342 10.854 -10.715 1.00 0.00 C ATOM 69 O MET A 1 22.439 10.757 -9.492 1.00 0.00 O ATOM 70 CB MET A 1 20.843 12.529 -11.814 1.00 0.00 C ATOM 71 CG MET A 1 21.448 12.815 -13.179 1.00 0.00 C ATOM 72 SD MET A 1 20.746 11.781 -14.479 1.00 0.00 S ATOM 73 CE MET A 1 22.142 10.727 -14.864 1.00 0.00 C ATOM 0 H MET A 1 20.185 10.598 -9.495 1.00 0.00 H new ATOM 0 HA MET A 1 20.918 10.426 -12.252 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.786 12.794 -11.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.320 13.170 -11.073 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.291 13.864 -13.430 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.525 12.656 -13.135 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.014 10.304 -15.860 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.060 11.314 -14.834 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.202 9.921 -14.132 1.00 0.00 H new ATOM 83 N MET A 2 23.387 10.778 -11.533 1.00 0.00 N ATOM 84 CA MET A 2 24.739 10.574 -11.027 1.00 0.00 C ATOM 85 C MET A 2 25.084 11.611 -9.963 1.00 0.00 C ATOM 86 O MET A 2 24.424 12.645 -9.853 1.00 0.00 O ATOM 87 CB MET A 2 25.751 10.646 -12.172 1.00 0.00 C ATOM 88 CG MET A 2 26.981 9.781 -11.951 1.00 0.00 C ATOM 89 SD MET A 2 26.572 8.044 -11.692 1.00 0.00 S ATOM 90 CE MET A 2 28.137 7.413 -11.093 1.00 0.00 C ATOM 0 H MET A 2 23.323 10.855 -12.548 1.00 0.00 H new ATOM 0 HA MET A 2 24.784 9.584 -10.573 1.00 0.00 H new ATOM 0 HB2 MET A 2 25.263 10.340 -13.097 1.00 0.00 H new ATOM 0 HB3 MET A 2 26.064 11.682 -12.305 1.00 0.00 H new ATOM 0 HG2 MET A 2 27.642 9.870 -12.813 1.00 0.00 H new ATOM 0 HG3 MET A 2 27.532 10.153 -11.087 1.00 0.00 H new ATOM 0 HE1 MET A 2 28.045 6.347 -10.887 1.00 0.00 H new ATOM 0 HE2 MET A 2 28.906 7.571 -11.849 1.00 0.00 H new ATOM 0 HE3 MET A 2 28.414 7.936 -10.178 1.00 0.00 H new ATOM 100 N LEU A 3 26.119 11.327 -9.180 1.00 0.00 N ATOM 101 CA LEU A 3 26.551 12.235 -8.124 1.00 0.00 C ATOM 102 C LEU A 3 26.341 13.689 -8.535 1.00 0.00 C ATOM 103 O LEU A 3 26.734 14.099 -9.626 1.00 0.00 O ATOM 104 CB LEU A 3 28.025 11.996 -7.790 1.00 0.00 C ATOM 105 CG LEU A 3 28.441 12.283 -6.346 1.00 0.00 C ATOM 106 CD1 LEU A 3 29.594 11.382 -5.934 1.00 0.00 C ATOM 107 CD2 LEU A 3 28.820 13.747 -6.181 1.00 0.00 C ATOM 0 H LEU A 3 26.674 10.475 -9.257 1.00 0.00 H new ATOM 0 HA LEU A 3 25.947 12.036 -7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 3 28.264 10.957 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 3 28.632 12.614 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 3 27.592 12.073 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 3 29.876 11.600 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 3 29.287 10.339 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 3 30.447 11.560 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 3 29.113 13.933 -5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 3 29.653 13.984 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 3 27.966 14.375 -6.434 1.00 0.00 H new ATOM 119 N GLY A 4 25.719 14.465 -7.652 1.00 0.00 N ATOM 120 CA GLY A 4 25.468 15.865 -7.941 1.00 0.00 C ATOM 121 C GLY A 4 24.238 16.393 -7.230 1.00 0.00 C ATOM 122 O GLY A 4 24.317 16.933 -6.127 1.00 0.00 O ATOM 0 H GLY A 4 25.385 14.149 -6.742 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.336 16.455 -7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.346 15.994 -9.016 1.00 0.00 H new ATOM 126 N PRO A 5 23.069 16.239 -7.869 1.00 0.00 N ATOM 127 CA PRO A 5 21.795 16.699 -7.309 1.00 0.00 C ATOM 128 C PRO A 5 21.358 15.871 -6.106 1.00 0.00 C ATOM 129 O PRO A 5 22.074 14.972 -5.667 1.00 0.00 O ATOM 130 CB PRO A 5 20.812 16.518 -8.469 1.00 0.00 C ATOM 131 CG PRO A 5 21.411 15.442 -9.308 1.00 0.00 C ATOM 132 CD PRO A 5 22.901 15.604 -9.187 1.00 0.00 C ATOM 0 HA PRO A 5 21.857 17.723 -6.941 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.823 16.235 -8.109 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.693 17.442 -9.035 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.096 14.457 -8.963 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.092 15.533 -10.346 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.415 14.644 -9.239 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.304 16.225 -9.987 1.00 0.00 H new ATOM 140 N GLU A 6 20.178 16.181 -5.577 1.00 0.00 N ATOM 141 CA GLU A 6 19.647 15.465 -4.423 1.00 0.00 C ATOM 142 C GLU A 6 18.432 14.629 -4.814 1.00 0.00 C ATOM 143 O GLU A 6 17.290 15.046 -4.624 1.00 0.00 O ATOM 144 CB GLU A 6 19.267 16.448 -3.314 1.00 0.00 C ATOM 145 CG GLU A 6 18.807 15.774 -2.033 1.00 0.00 C ATOM 146 CD GLU A 6 19.964 15.352 -1.148 1.00 0.00 C ATOM 147 OE1 GLU A 6 20.759 16.229 -0.752 1.00 0.00 O ATOM 148 OE2 GLU A 6 20.073 14.143 -0.851 1.00 0.00 O ATOM 0 H GLU A 6 19.572 16.922 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 6 20.424 14.796 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 6 20.126 17.082 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.473 17.101 -3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.161 16.456 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.207 14.899 -2.282 1.00 0.00 H new ATOM 155 N GLY A 7 18.687 13.445 -5.363 1.00 0.00 N ATOM 156 CA GLY A 7 17.605 12.569 -5.773 1.00 0.00 C ATOM 157 C GLY A 7 16.493 12.501 -4.746 1.00 0.00 C ATOM 158 O GLY A 7 15.487 13.200 -4.863 1.00 0.00 O ATOM 0 H GLY A 7 19.623 13.077 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.198 12.919 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.998 11.567 -5.945 1.00 0.00 H new ATOM 162 N GLY A 8 16.672 11.655 -3.736 1.00 0.00 N ATOM 163 CA GLY A 8 15.666 11.512 -2.700 1.00 0.00 C ATOM 164 C GLY A 8 14.946 10.181 -2.770 1.00 0.00 C ATOM 165 O GLY A 8 14.814 9.486 -1.763 1.00 0.00 O ATOM 0 H GLY A 8 17.496 11.066 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 8 16.138 11.615 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.939 12.320 -2.790 1.00 0.00 H new ATOM 169 N GLU A 9 14.477 9.826 -3.962 1.00 0.00 N ATOM 170 CA GLU A 9 13.763 8.569 -4.158 1.00 0.00 C ATOM 171 C GLU A 9 14.526 7.406 -3.530 1.00 0.00 C ATOM 172 O GLU A 9 15.728 7.499 -3.285 1.00 0.00 O ATOM 173 CB GLU A 9 13.549 8.306 -5.650 1.00 0.00 C ATOM 174 CG GLU A 9 12.826 9.433 -6.369 1.00 0.00 C ATOM 175 CD GLU A 9 13.108 9.450 -7.859 1.00 0.00 C ATOM 176 OE1 GLU A 9 14.193 8.979 -8.263 1.00 0.00 O ATOM 177 OE2 GLU A 9 12.246 9.933 -8.622 1.00 0.00 O ATOM 0 H GLU A 9 14.578 10.390 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 9 12.793 8.652 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.517 8.146 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.979 7.385 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.753 9.333 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.126 10.387 -5.935 1.00 0.00 H new ATOM 184 N GLY A 10 13.817 6.312 -3.272 1.00 0.00 N ATOM 185 CA GLY A 10 14.443 5.147 -2.674 1.00 0.00 C ATOM 186 C GLY A 10 13.754 3.854 -3.065 1.00 0.00 C ATOM 187 O GLY A 10 12.857 3.851 -3.908 1.00 0.00 O ATOM 0 H GLY A 10 12.821 6.211 -3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.489 5.104 -2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.430 5.248 -1.589 1.00 0.00 H new ATOM 191 N TYR A 11 14.175 2.753 -2.453 1.00 0.00 N ATOM 192 CA TYR A 11 13.596 1.447 -2.745 1.00 0.00 C ATOM 193 C TYR A 11 12.182 1.340 -2.182 1.00 0.00 C ATOM 194 O TYR A 11 11.992 1.178 -0.977 1.00 0.00 O ATOM 195 CB TYR A 11 14.473 0.336 -2.166 1.00 0.00 C ATOM 196 CG TYR A 11 15.925 0.433 -2.578 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.282 0.521 -3.918 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.939 0.436 -1.629 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.607 0.609 -4.300 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.266 0.525 -2.001 1.00 0.00 C ATOM 201 CZ TYR A 11 18.595 0.611 -3.338 1.00 0.00 C ATOM 202 OH TYR A 11 19.916 0.699 -3.713 1.00 0.00 O ATOM 0 H TYR A 11 14.915 2.739 -1.751 1.00 0.00 H new ATOM 0 HA TYR A 11 13.546 1.334 -3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.410 0.365 -1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 11 14.078 -0.629 -2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.511 0.521 -4.674 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.685 0.368 -0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.867 0.676 -5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 11 19.042 0.527 -1.250 1.00 0.00 H new ATOM 0 HH TYR A 11 20.484 0.689 -2.915 1.00 0.00 H new ATOM 212 N VAL A 12 11.192 1.431 -3.065 1.00 0.00 N ATOM 213 CA VAL A 12 9.795 1.343 -2.658 1.00 0.00 C ATOM 214 C VAL A 12 8.982 0.528 -3.658 1.00 0.00 C ATOM 215 O VAL A 12 9.388 0.350 -4.807 1.00 0.00 O ATOM 216 CB VAL A 12 9.163 2.740 -2.516 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.687 2.625 -2.166 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.905 3.557 -1.470 1.00 0.00 C ATOM 0 H VAL A 12 11.332 1.566 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 12 9.778 0.845 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 12 9.246 3.256 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.257 3.622 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.167 2.080 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.577 2.090 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.445 4.541 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.856 3.047 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.947 3.669 -1.768 1.00 0.00 H new ATOM 228 N VAL A 13 7.830 0.035 -3.214 1.00 0.00 N ATOM 229 CA VAL A 13 6.958 -0.760 -4.071 1.00 0.00 C ATOM 230 C VAL A 13 5.491 -0.517 -3.737 1.00 0.00 C ATOM 231 O VAL A 13 5.134 -0.293 -2.580 1.00 0.00 O ATOM 232 CB VAL A 13 7.262 -2.264 -3.939 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.650 -2.578 -4.476 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.128 -2.709 -2.490 1.00 0.00 C ATOM 0 H VAL A 13 7.479 0.172 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 13 7.150 -0.447 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 13 6.535 -2.817 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.847 -3.645 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.705 -2.298 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.394 -2.016 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.346 -3.774 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.830 -2.150 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.111 -2.522 -2.144 1.00 0.00 H new ATOM 244 N LYS A 14 4.642 -0.564 -4.758 1.00 0.00 N ATOM 245 CA LYS A 14 3.211 -0.351 -4.574 1.00 0.00 C ATOM 246 C LYS A 14 2.432 -1.638 -4.829 1.00 0.00 C ATOM 247 O LYS A 14 2.619 -2.296 -5.854 1.00 0.00 O ATOM 248 CB LYS A 14 2.714 0.752 -5.511 1.00 0.00 C ATOM 249 CG LYS A 14 1.210 0.737 -5.724 1.00 0.00 C ATOM 250 CD LYS A 14 0.799 1.658 -6.861 1.00 0.00 C ATOM 251 CE LYS A 14 0.691 3.102 -6.397 1.00 0.00 C ATOM 252 NZ LYS A 14 0.365 4.023 -7.521 1.00 0.00 N ATOM 0 H LYS A 14 4.920 -0.748 -5.722 1.00 0.00 H new ATOM 0 HA LYS A 14 3.045 -0.045 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.005 1.721 -5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.210 0.648 -6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.882 -0.280 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.708 1.044 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.527 1.588 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.159 1.332 -7.266 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.078 3.180 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.631 3.407 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.300 4.998 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.112 3.968 -8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.545 3.748 -7.943 1.00 0.00 H new ATOM 266 N LEU A 15 1.559 -1.991 -3.893 1.00 0.00 N ATOM 267 CA LEU A 15 0.751 -3.199 -4.017 1.00 0.00 C ATOM 268 C LEU A 15 -0.711 -2.852 -4.280 1.00 0.00 C ATOM 269 O LEU A 15 -1.361 -2.200 -3.462 1.00 0.00 O ATOM 270 CB LEU A 15 0.865 -4.046 -2.748 1.00 0.00 C ATOM 271 CG LEU A 15 2.279 -4.474 -2.352 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.288 -5.042 -0.941 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.825 -5.491 -3.343 1.00 0.00 C ATOM 0 H LEU A 15 1.392 -1.458 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 15 1.128 -3.772 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.432 -3.485 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.258 -4.942 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 15 2.924 -3.596 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.302 -5.341 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.939 -4.283 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.630 -5.909 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.832 -5.784 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.180 -6.369 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.855 -5.049 -4.339 1.00 0.00 H new ATOM 285 N ARG A 16 -1.222 -3.292 -5.424 1.00 0.00 N ATOM 286 CA ARG A 16 -2.607 -3.029 -5.794 1.00 0.00 C ATOM 287 C ARG A 16 -3.413 -4.324 -5.843 1.00 0.00 C ATOM 288 O ARG A 16 -2.929 -5.351 -6.317 1.00 0.00 O ATOM 289 CB ARG A 16 -2.670 -2.326 -7.152 1.00 0.00 C ATOM 290 CG ARG A 16 -3.960 -1.555 -7.380 1.00 0.00 C ATOM 291 CD ARG A 16 -4.048 -1.024 -8.802 1.00 0.00 C ATOM 292 NE ARG A 16 -3.178 0.130 -9.010 1.00 0.00 N ATOM 293 CZ ARG A 16 -3.267 0.937 -10.061 1.00 0.00 C ATOM 294 NH1 ARG A 16 -4.183 0.717 -10.995 1.00 0.00 N ATOM 295 NH2 ARG A 16 -2.439 1.967 -10.181 1.00 0.00 N ATOM 0 H ARG A 16 -0.697 -3.833 -6.112 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.042 -2.379 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.827 -1.640 -7.236 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.556 -3.069 -7.942 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.813 -2.203 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.018 -0.725 -6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.775 -1.814 -9.502 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.079 -0.745 -9.022 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.463 0.327 -8.310 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.821 -0.074 -10.907 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.249 1.339 -11.801 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.733 2.140 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.509 2.586 -10.989 1.00 0.00 H new ATOM 309 N GLY A 17 -4.646 -4.266 -5.348 1.00 0.00 N ATOM 310 CA GLY A 17 -5.499 -5.441 -5.344 1.00 0.00 C ATOM 311 C GLY A 17 -5.606 -6.074 -3.971 1.00 0.00 C ATOM 312 O GLY A 17 -6.120 -7.185 -3.830 1.00 0.00 O ATOM 0 H GLY A 17 -5.069 -3.427 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.494 -5.165 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.106 -6.174 -6.049 1.00 0.00 H new ATOM 316 N LEU A 18 -5.119 -5.369 -2.956 1.00 0.00 N ATOM 317 CA LEU A 18 -5.160 -5.870 -1.587 1.00 0.00 C ATOM 318 C LEU A 18 -6.591 -5.890 -1.058 1.00 0.00 C ATOM 319 O LEU A 18 -7.427 -5.065 -1.426 1.00 0.00 O ATOM 320 CB LEU A 18 -4.281 -5.006 -0.680 1.00 0.00 C ATOM 321 CG LEU A 18 -2.788 -4.996 -1.006 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.110 -3.793 -0.366 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.131 -6.288 -0.543 1.00 0.00 C ATOM 0 H LEU A 18 -4.691 -4.448 -3.055 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.778 -6.891 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.648 -3.981 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.406 -5.349 0.347 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.673 -4.921 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.047 -3.802 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.561 -2.876 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.235 -3.838 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.068 -6.262 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.257 -6.394 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.597 -7.134 -1.048 1.00 0.00 H new ATOM 335 N PRO A 19 -6.880 -6.854 -0.171 1.00 0.00 N ATOM 336 CA PRO A 19 -8.209 -7.004 0.430 1.00 0.00 C ATOM 337 C PRO A 19 -8.536 -5.876 1.402 1.00 0.00 C ATOM 338 O PRO A 19 -7.650 -5.347 2.074 1.00 0.00 O ATOM 339 CB PRO A 19 -8.114 -8.339 1.173 1.00 0.00 C ATOM 340 CG PRO A 19 -6.662 -8.508 1.464 1.00 0.00 C ATOM 341 CD PRO A 19 -5.933 -7.872 0.314 1.00 0.00 C ATOM 0 HA PRO A 19 -9.001 -6.973 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.703 -8.324 2.090 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.494 -9.159 0.564 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.395 -8.031 2.407 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.402 -9.563 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.992 -7.425 0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.694 -8.600 -0.461 1.00 0.00 H new ATOM 349 N TRP A 20 -9.811 -5.513 1.472 1.00 0.00 N ATOM 350 CA TRP A 20 -10.254 -4.446 2.364 1.00 0.00 C ATOM 351 C TRP A 20 -9.867 -4.747 3.807 1.00 0.00 C ATOM 352 O TRP A 20 -9.915 -3.869 4.668 1.00 0.00 O ATOM 353 CB TRP A 20 -11.769 -4.261 2.257 1.00 0.00 C ATOM 354 CG TRP A 20 -12.190 -3.500 1.037 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.475 -3.338 -0.116 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.422 -2.795 0.849 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.189 -2.576 -1.008 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.387 -2.231 -0.441 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.553 -2.588 1.645 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.438 -1.473 -0.950 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.595 -1.835 1.138 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.532 -1.286 -0.150 1.00 0.00 C ATOM 0 H TRP A 20 -10.557 -5.941 0.923 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.760 -3.523 2.060 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.248 -5.240 2.249 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.127 -3.739 3.144 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.493 -3.749 -0.299 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.877 -2.310 -1.942 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.611 -3.009 2.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.391 -1.048 -1.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.473 -1.667 1.744 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.364 -0.704 -0.518 1.00 0.00 H new ATOM 373 N SER A 21 -9.482 -5.993 4.065 1.00 0.00 N ATOM 374 CA SER A 21 -9.090 -6.410 5.406 1.00 0.00 C ATOM 375 C SER A 21 -7.594 -6.707 5.466 1.00 0.00 C ATOM 376 O SER A 21 -7.125 -7.406 6.366 1.00 0.00 O ATOM 377 CB SER A 21 -9.885 -7.646 5.832 1.00 0.00 C ATOM 378 OG SER A 21 -10.058 -7.681 7.238 1.00 0.00 O ATOM 0 H SER A 21 -9.433 -6.731 3.363 1.00 0.00 H new ATOM 0 HA SER A 21 -9.309 -5.593 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.859 -7.642 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.367 -8.547 5.504 1.00 0.00 H new ATOM 0 HG SER A 21 -10.570 -8.479 7.485 1.00 0.00 H new ATOM 384 N CYS A 22 -6.852 -6.172 4.503 1.00 0.00 N ATOM 385 CA CYS A 22 -5.410 -6.380 4.445 1.00 0.00 C ATOM 386 C CYS A 22 -4.715 -5.701 5.621 1.00 0.00 C ATOM 387 O CYS A 22 -4.937 -4.520 5.888 1.00 0.00 O ATOM 388 CB CYS A 22 -4.849 -5.845 3.127 1.00 0.00 C ATOM 389 SG CYS A 22 -3.092 -6.191 2.877 1.00 0.00 S ATOM 0 H CYS A 22 -7.225 -5.591 3.752 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.220 -7.452 4.504 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.414 -6.278 2.302 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.005 -4.767 3.089 1.00 0.00 H new ATOM 0 HG CYS A 22 -2.385 -5.208 3.349 1.00 0.00 H new ATOM 395 N SER A 23 -3.874 -6.455 6.321 1.00 0.00 N ATOM 396 CA SER A 23 -3.150 -5.928 7.472 1.00 0.00 C ATOM 397 C SER A 23 -1.645 -5.951 7.224 1.00 0.00 C ATOM 398 O SER A 23 -1.135 -6.818 6.514 1.00 0.00 O ATOM 399 CB SER A 23 -3.485 -6.737 8.726 1.00 0.00 C ATOM 400 OG SER A 23 -4.781 -6.423 9.205 1.00 0.00 O ATOM 0 H SER A 23 -3.677 -7.434 6.111 1.00 0.00 H new ATOM 0 HA SER A 23 -3.460 -4.894 7.623 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.425 -7.802 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.748 -6.532 9.502 1.00 0.00 H new ATOM 0 HG SER A 23 -4.971 -6.955 10.006 1.00 0.00 H new ATOM 406 N ILE A 24 -0.940 -4.992 7.815 1.00 0.00 N ATOM 407 CA ILE A 24 0.507 -4.903 7.661 1.00 0.00 C ATOM 408 C ILE A 24 1.137 -6.289 7.568 1.00 0.00 C ATOM 409 O ILE A 24 1.960 -6.550 6.692 1.00 0.00 O ATOM 410 CB ILE A 24 1.152 -4.135 8.830 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.683 -2.679 8.832 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.669 -4.209 8.739 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.086 -1.916 10.075 1.00 0.00 C ATOM 0 H ILE A 24 -1.347 -4.266 8.405 1.00 0.00 H new ATOM 0 HA ILE A 24 0.692 -4.360 6.734 1.00 0.00 H new ATOM 0 HB ILE A 24 0.841 -4.598 9.766 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.091 -2.173 7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.403 -2.655 8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.111 -3.662 9.572 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.986 -5.251 8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.999 -3.767 7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.720 -0.891 10.008 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.656 -2.398 10.953 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.173 -1.908 10.161 1.00 0.00 H new ATOM 425 N GLU A 25 0.742 -7.174 8.478 1.00 0.00 N ATOM 426 CA GLU A 25 1.268 -8.534 8.498 1.00 0.00 C ATOM 427 C GLU A 25 1.146 -9.185 7.124 1.00 0.00 C ATOM 428 O GLU A 25 2.131 -9.664 6.562 1.00 0.00 O ATOM 429 CB GLU A 25 0.528 -9.375 9.541 1.00 0.00 C ATOM 430 CG GLU A 25 1.170 -9.341 10.917 1.00 0.00 C ATOM 431 CD GLU A 25 2.680 -9.470 10.861 1.00 0.00 C ATOM 432 OE1 GLU A 25 3.168 -10.486 10.322 1.00 0.00 O ATOM 433 OE2 GLU A 25 3.373 -8.556 11.355 1.00 0.00 O ATOM 0 H GLU A 25 0.060 -6.974 9.210 1.00 0.00 H new ATOM 0 HA GLU A 25 2.324 -8.484 8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.499 -9.019 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.482 -10.408 9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.907 -8.407 11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.762 -10.150 11.524 1.00 0.00 H new ATOM 440 N ASP A 26 -0.069 -9.198 6.588 1.00 0.00 N ATOM 441 CA ASP A 26 -0.322 -9.789 5.279 1.00 0.00 C ATOM 442 C ASP A 26 0.635 -9.223 4.234 1.00 0.00 C ATOM 443 O ASP A 26 1.021 -9.915 3.291 1.00 0.00 O ATOM 444 CB ASP A 26 -1.769 -9.538 4.852 1.00 0.00 C ATOM 445 CG ASP A 26 -2.723 -10.580 5.400 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.924 -11.613 4.727 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.270 -10.364 6.502 1.00 0.00 O ATOM 0 H ASP A 26 -0.895 -8.806 7.040 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.156 -10.864 5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.079 -8.550 5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.828 -9.532 3.764 1.00 0.00 H new ATOM 452 N VAL A 27 1.013 -7.961 4.406 1.00 0.00 N ATOM 453 CA VAL A 27 1.925 -7.302 3.479 1.00 0.00 C ATOM 454 C VAL A 27 3.364 -7.743 3.716 1.00 0.00 C ATOM 455 O VAL A 27 4.082 -8.084 2.777 1.00 0.00 O ATOM 456 CB VAL A 27 1.842 -5.769 3.604 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.748 -5.099 2.582 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.404 -5.299 3.442 1.00 0.00 C ATOM 0 H VAL A 27 0.701 -7.374 5.180 1.00 0.00 H new ATOM 0 HA VAL A 27 1.620 -7.594 2.474 1.00 0.00 H new ATOM 0 HB VAL A 27 2.184 -5.484 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.676 -4.016 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.779 -5.412 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.440 -5.388 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.364 -4.214 3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.033 -5.595 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.216 -5.751 4.216 1.00 0.00 H new ATOM 468 N GLN A 28 3.780 -7.733 4.979 1.00 0.00 N ATOM 469 CA GLN A 28 5.135 -8.132 5.340 1.00 0.00 C ATOM 470 C GLN A 28 5.434 -9.547 4.853 1.00 0.00 C ATOM 471 O GLN A 28 6.459 -9.791 4.219 1.00 0.00 O ATOM 472 CB GLN A 28 5.327 -8.051 6.855 1.00 0.00 C ATOM 473 CG GLN A 28 5.143 -6.650 7.417 1.00 0.00 C ATOM 474 CD GLN A 28 5.223 -6.614 8.931 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.267 -6.962 9.623 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.369 -6.191 9.453 1.00 0.00 N ATOM 0 H GLN A 28 3.198 -7.453 5.769 1.00 0.00 H new ATOM 0 HA GLN A 28 5.830 -7.446 4.856 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.619 -8.724 7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.327 -8.406 7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.906 -5.992 7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.177 -6.259 7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.136 -5.912 8.841 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.482 -6.145 10.466 1.00 0.00 H new ATOM 485 N ASN A 29 4.531 -10.474 5.155 1.00 0.00 N ATOM 486 CA ASN A 29 4.699 -11.865 4.748 1.00 0.00 C ATOM 487 C ASN A 29 4.656 -11.996 3.229 1.00 0.00 C ATOM 488 O ASN A 29 5.352 -12.829 2.648 1.00 0.00 O ATOM 489 CB ASN A 29 3.610 -12.736 5.377 1.00 0.00 C ATOM 490 CG ASN A 29 3.758 -12.849 6.882 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.544 -13.655 7.382 1.00 0.00 O ATOM 492 ND2 ASN A 29 3.000 -12.040 7.613 1.00 0.00 N ATOM 0 H ASN A 29 3.676 -10.288 5.680 1.00 0.00 H new ATOM 0 HA ASN A 29 5.674 -12.205 5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.632 -12.317 5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.645 -13.732 4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.055 -12.071 8.631 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.363 -11.388 7.156 1.00 0.00 H new ATOM 499 N PHE A 30 3.836 -11.168 2.591 1.00 0.00 N ATOM 500 CA PHE A 30 3.702 -11.191 1.139 1.00 0.00 C ATOM 501 C PHE A 30 5.042 -10.909 0.465 1.00 0.00 C ATOM 502 O PHE A 30 5.426 -11.590 -0.487 1.00 0.00 O ATOM 503 CB PHE A 30 2.664 -10.164 0.685 1.00 0.00 C ATOM 504 CG PHE A 30 2.466 -10.129 -0.803 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.323 -9.400 -1.612 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.424 -10.825 -1.394 1.00 0.00 C ATOM 507 CE1 PHE A 30 3.143 -9.366 -2.982 1.00 0.00 C ATOM 508 CE2 PHE A 30 1.239 -10.795 -2.763 1.00 0.00 C ATOM 509 CZ PHE A 30 2.101 -10.065 -3.559 1.00 0.00 C ATOM 0 H PHE A 30 3.254 -10.472 3.057 1.00 0.00 H new ATOM 0 HA PHE A 30 3.370 -12.187 0.845 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.711 -10.386 1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.970 -9.175 1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.141 -8.852 -1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.748 -11.398 -0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.817 -8.793 -3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.422 -11.341 -3.210 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.960 -10.041 -4.630 1.00 0.00 H new ATOM 519 N LEU A 31 5.748 -9.901 0.964 1.00 0.00 N ATOM 520 CA LEU A 31 7.045 -9.527 0.411 1.00 0.00 C ATOM 521 C LEU A 31 8.181 -10.108 1.246 1.00 0.00 C ATOM 522 O LEU A 31 9.170 -9.430 1.524 1.00 0.00 O ATOM 523 CB LEU A 31 7.173 -8.004 0.344 1.00 0.00 C ATOM 524 CG LEU A 31 6.082 -7.273 -0.439 1.00 0.00 C ATOM 525 CD1 LEU A 31 6.254 -5.767 -0.313 1.00 0.00 C ATOM 526 CD2 LEU A 31 6.102 -7.693 -1.901 1.00 0.00 C ATOM 0 H LEU A 31 5.444 -9.328 1.751 1.00 0.00 H new ATOM 0 HA LEU A 31 7.114 -9.936 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.184 -7.615 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.138 -7.760 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 31 5.114 -7.545 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.469 -5.263 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.189 -5.480 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.228 -5.478 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.319 -7.163 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.072 -7.451 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.930 -8.767 -1.973 1.00 0.00 H new ATOM 538 N SER A 32 8.033 -11.369 1.642 1.00 0.00 N ATOM 539 CA SER A 32 9.047 -12.041 2.446 1.00 0.00 C ATOM 540 C SER A 32 10.411 -11.975 1.768 1.00 0.00 C ATOM 541 O SER A 32 11.389 -11.516 2.359 1.00 0.00 O ATOM 542 CB SER A 32 8.653 -13.500 2.685 1.00 0.00 C ATOM 543 OG SER A 32 9.409 -14.066 3.742 1.00 0.00 O ATOM 0 H SER A 32 7.221 -11.945 1.419 1.00 0.00 H new ATOM 0 HA SER A 32 9.114 -11.528 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.591 -13.559 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.809 -14.076 1.773 1.00 0.00 H new ATOM 0 HG SER A 32 9.137 -14.998 3.876 1.00 0.00 H new ATOM 549 N ASP A 33 10.469 -12.437 0.524 1.00 0.00 N ATOM 550 CA ASP A 33 11.713 -12.429 -0.237 1.00 0.00 C ATOM 551 C ASP A 33 12.408 -11.076 -0.130 1.00 0.00 C ATOM 552 O ASP A 33 13.621 -10.973 -0.317 1.00 0.00 O ATOM 553 CB ASP A 33 11.440 -12.762 -1.705 1.00 0.00 C ATOM 554 CG ASP A 33 10.187 -12.088 -2.228 1.00 0.00 C ATOM 555 OD1 ASP A 33 9.098 -12.350 -1.676 1.00 0.00 O ATOM 556 OD2 ASP A 33 10.295 -11.298 -3.189 1.00 0.00 O ATOM 0 H ASP A 33 9.669 -12.822 0.021 1.00 0.00 H new ATOM 0 HA ASP A 33 12.372 -13.189 0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.294 -12.455 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.342 -13.842 -1.818 1.00 0.00 H new ATOM 561 N CYS A 34 11.632 -10.040 0.170 1.00 0.00 N ATOM 562 CA CYS A 34 12.172 -8.692 0.300 1.00 0.00 C ATOM 563 C CYS A 34 12.362 -8.321 1.767 1.00 0.00 C ATOM 564 O CYS A 34 11.720 -8.890 2.651 1.00 0.00 O ATOM 565 CB CYS A 34 11.246 -7.681 -0.379 1.00 0.00 C ATOM 566 SG CYS A 34 10.756 -8.140 -2.058 1.00 0.00 S ATOM 0 H CYS A 34 10.627 -10.108 0.328 1.00 0.00 H new ATOM 0 HA CYS A 34 13.145 -8.669 -0.190 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.350 -7.560 0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.744 -6.712 -0.409 1.00 0.00 H new ATOM 0 HG CYS A 34 11.485 -7.490 -2.916 1.00 0.00 H new ATOM 572 N THR A 35 13.249 -7.364 2.020 1.00 0.00 N ATOM 573 CA THR A 35 13.526 -6.919 3.380 1.00 0.00 C ATOM 574 C THR A 35 12.940 -5.534 3.636 1.00 0.00 C ATOM 575 O THR A 35 13.634 -4.524 3.511 1.00 0.00 O ATOM 576 CB THR A 35 15.040 -6.883 3.663 1.00 0.00 C ATOM 577 OG1 THR A 35 15.603 -8.187 3.477 1.00 0.00 O ATOM 578 CG2 THR A 35 15.315 -6.403 5.080 1.00 0.00 C ATOM 0 H THR A 35 13.788 -6.882 1.301 1.00 0.00 H new ATOM 0 HA THR A 35 13.056 -7.639 4.049 1.00 0.00 H new ATOM 0 HB THR A 35 15.502 -6.185 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.566 -8.156 3.657 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.391 -6.386 5.256 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.910 -5.399 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 35 14.841 -7.079 5.792 1.00 0.00 H new ATOM 586 N ILE A 36 11.662 -5.495 3.994 1.00 0.00 N ATOM 587 CA ILE A 36 10.984 -4.234 4.269 1.00 0.00 C ATOM 588 C ILE A 36 11.745 -3.416 5.307 1.00 0.00 C ATOM 589 O ILE A 36 12.141 -3.934 6.352 1.00 0.00 O ATOM 590 CB ILE A 36 9.545 -4.464 4.767 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.716 -5.166 3.690 1.00 0.00 C ATOM 592 CG2 ILE A 36 8.903 -3.143 5.161 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.460 -5.818 4.223 1.00 0.00 C ATOM 0 H ILE A 36 11.074 -6.322 4.101 1.00 0.00 H new ATOM 0 HA ILE A 36 10.950 -3.683 3.329 1.00 0.00 H new ATOM 0 HB ILE A 36 9.579 -5.105 5.648 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.442 -4.441 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.332 -5.924 3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.886 -3.323 5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.484 -2.679 5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.877 -2.479 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.923 -6.296 3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.727 -6.567 4.968 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.824 -5.061 4.682 1.00 0.00 H new ATOM 605 N HIS A 37 11.944 -2.135 5.014 1.00 0.00 N ATOM 606 CA HIS A 37 12.655 -1.244 5.923 1.00 0.00 C ATOM 607 C HIS A 37 11.774 -0.861 7.108 1.00 0.00 C ATOM 608 O HIS A 37 10.652 -0.385 6.932 1.00 0.00 O ATOM 609 CB HIS A 37 13.112 0.014 5.185 1.00 0.00 C ATOM 610 CG HIS A 37 13.451 1.154 6.096 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.713 1.352 6.616 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.685 2.160 6.578 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.708 2.429 7.380 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.489 2.939 7.373 1.00 0.00 N ATOM 0 H HIS A 37 11.623 -1.691 4.154 1.00 0.00 H new ATOM 0 HA HIS A 37 13.530 -1.773 6.300 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.985 -0.228 4.579 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.325 0.329 4.500 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.636 2.320 6.375 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.556 2.826 7.919 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.193 3.775 7.876 1.00 0.00 H new ATOM 623 N ASP A 38 12.288 -1.071 8.315 1.00 0.00 N ATOM 624 CA ASP A 38 11.548 -0.748 9.529 1.00 0.00 C ATOM 625 C ASP A 38 10.304 -1.622 9.656 1.00 0.00 C ATOM 626 O ASP A 38 9.330 -1.243 10.305 1.00 0.00 O ATOM 627 CB ASP A 38 11.151 0.729 9.531 1.00 0.00 C ATOM 628 CG ASP A 38 12.348 1.651 9.405 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.469 1.142 9.198 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.163 2.881 9.512 1.00 0.00 O ATOM 0 H ASP A 38 13.215 -1.464 8.479 1.00 0.00 H new ATOM 0 HA ASP A 38 12.196 -0.944 10.383 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.462 0.918 8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.616 0.957 10.453 1.00 0.00 H new ATOM 635 N GLY A 39 10.345 -2.795 9.032 1.00 0.00 N ATOM 636 CA GLY A 39 9.215 -3.704 9.087 1.00 0.00 C ATOM 637 C GLY A 39 7.885 -2.977 9.077 1.00 0.00 C ATOM 638 O GLY A 39 7.641 -2.125 8.223 1.00 0.00 O ATOM 0 H GLY A 39 11.140 -3.132 8.489 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.259 -4.386 8.238 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.286 -4.313 9.988 1.00 0.00 H new ATOM 642 N VAL A 40 7.021 -3.316 10.029 1.00 0.00 N ATOM 643 CA VAL A 40 5.707 -2.690 10.126 1.00 0.00 C ATOM 644 C VAL A 40 5.802 -1.181 9.930 1.00 0.00 C ATOM 645 O VAL A 40 4.886 -0.556 9.397 1.00 0.00 O ATOM 646 CB VAL A 40 5.048 -2.979 11.488 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.803 -4.471 11.657 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.908 -2.440 12.621 1.00 0.00 C ATOM 0 H VAL A 40 7.207 -4.020 10.743 1.00 0.00 H new ATOM 0 HA VAL A 40 5.092 -3.118 9.334 1.00 0.00 H new ATOM 0 HB VAL A 40 4.084 -2.471 11.521 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.337 -4.656 12.625 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.144 -4.824 10.864 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.752 -5.004 11.604 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.427 -2.653 13.576 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.887 -2.918 12.593 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.027 -1.362 12.507 1.00 0.00 H new ATOM 658 N ALA A 41 6.917 -0.602 10.364 1.00 0.00 N ATOM 659 CA ALA A 41 7.132 0.834 10.234 1.00 0.00 C ATOM 660 C ALA A 41 7.629 1.190 8.837 1.00 0.00 C ATOM 661 O ALA A 41 8.242 2.236 8.633 1.00 0.00 O ATOM 662 CB ALA A 41 8.120 1.317 11.286 1.00 0.00 C ATOM 0 H ALA A 41 7.685 -1.105 10.808 1.00 0.00 H new ATOM 0 HA ALA A 41 6.177 1.335 10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.271 2.391 11.177 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.726 1.105 12.280 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.072 0.802 11.155 1.00 0.00 H new ATOM 668 N GLY A 42 7.360 0.310 7.876 1.00 0.00 N ATOM 669 CA GLY A 42 7.787 0.550 6.510 1.00 0.00 C ATOM 670 C GLY A 42 6.659 0.385 5.512 1.00 0.00 C ATOM 671 O GLY A 42 6.797 0.742 4.342 1.00 0.00 O ATOM 0 H GLY A 42 6.854 -0.564 8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.193 1.559 6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.594 -0.138 6.259 1.00 0.00 H new ATOM 675 N VAL A 43 5.537 -0.159 5.974 1.00 0.00 N ATOM 676 CA VAL A 43 4.380 -0.371 5.113 1.00 0.00 C ATOM 677 C VAL A 43 3.396 0.789 5.218 1.00 0.00 C ATOM 678 O VAL A 43 3.101 1.270 6.312 1.00 0.00 O ATOM 679 CB VAL A 43 3.650 -1.681 5.466 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.413 -1.854 4.599 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.587 -2.870 5.315 1.00 0.00 C ATOM 0 H VAL A 43 5.405 -0.461 6.939 1.00 0.00 H new ATOM 0 HA VAL A 43 4.754 -0.435 4.091 1.00 0.00 H new ATOM 0 HB VAL A 43 3.330 -1.629 6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.911 -2.785 4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.734 -1.017 4.762 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.706 -1.885 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.055 -3.787 5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.939 -2.927 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.439 -2.749 5.983 1.00 0.00 H new ATOM 691 N HIS A 44 2.891 1.235 4.072 1.00 0.00 N ATOM 692 CA HIS A 44 1.939 2.339 4.035 1.00 0.00 C ATOM 693 C HIS A 44 0.739 1.993 3.159 1.00 0.00 C ATOM 694 O HIS A 44 0.885 1.720 1.967 1.00 0.00 O ATOM 695 CB HIS A 44 2.617 3.607 3.513 1.00 0.00 C ATOM 696 CG HIS A 44 3.945 3.880 4.148 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.144 4.879 5.078 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.146 3.278 3.982 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.410 4.879 5.456 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.039 3.917 4.806 1.00 0.00 N ATOM 0 H HIS A 44 3.125 0.849 3.157 1.00 0.00 H new ATOM 0 HA HIS A 44 1.586 2.516 5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 44 2.750 3.520 2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 44 1.959 4.459 3.686 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.362 2.449 3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.855 5.552 6.175 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.028 3.686 4.901 1.00 0.00 H new ATOM 709 N PHE A 45 -0.447 2.004 3.757 1.00 0.00 N ATOM 710 CA PHE A 45 -1.673 1.689 3.032 1.00 0.00 C ATOM 711 C PHE A 45 -2.291 2.950 2.436 1.00 0.00 C ATOM 712 O PHE A 45 -1.990 4.065 2.865 1.00 0.00 O ATOM 713 CB PHE A 45 -2.678 1.005 3.961 1.00 0.00 C ATOM 714 CG PHE A 45 -2.369 -0.442 4.217 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.856 -1.428 3.374 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.591 -0.817 5.301 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.573 -2.761 3.606 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.304 -2.148 5.538 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.797 -3.121 4.690 1.00 0.00 C ATOM 0 H PHE A 45 -0.586 2.228 4.742 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.420 1.010 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.702 1.537 4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.675 1.084 3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.464 -1.152 2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.205 -0.061 5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.958 -3.520 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.695 -2.427 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.576 -4.162 4.875 1.00 0.00 H new ATOM 729 N ILE A 46 -3.155 2.766 1.444 1.00 0.00 N ATOM 730 CA ILE A 46 -3.816 3.887 0.788 1.00 0.00 C ATOM 731 C ILE A 46 -5.306 3.913 1.112 1.00 0.00 C ATOM 732 O ILE A 46 -5.977 2.881 1.077 1.00 0.00 O ATOM 733 CB ILE A 46 -3.635 3.833 -0.740 1.00 0.00 C ATOM 734 CG1 ILE A 46 -2.155 3.675 -1.095 1.00 0.00 C ATOM 735 CG2 ILE A 46 -4.210 5.084 -1.387 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.289 4.808 -0.591 1.00 0.00 C ATOM 0 H ILE A 46 -3.414 1.850 1.077 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.348 4.795 1.168 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.176 2.968 -1.124 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.788 2.736 -0.680 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.055 3.606 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.074 5.030 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.273 5.156 -1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.695 5.963 -1.000 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.253 4.630 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.630 5.748 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.359 4.864 0.495 1.00 0.00 H new ATOM 748 N TYR A 47 -5.818 5.099 1.424 1.00 0.00 N ATOM 749 CA TYR A 47 -7.229 5.259 1.754 1.00 0.00 C ATOM 750 C TYR A 47 -7.894 6.272 0.827 1.00 0.00 C ATOM 751 O TYR A 47 -7.221 6.984 0.080 1.00 0.00 O ATOM 752 CB TYR A 47 -7.386 5.703 3.210 1.00 0.00 C ATOM 753 CG TYR A 47 -6.904 4.678 4.211 1.00 0.00 C ATOM 754 CD1 TYR A 47 -5.547 4.484 4.437 1.00 0.00 C ATOM 755 CD2 TYR A 47 -7.805 3.904 4.931 1.00 0.00 C ATOM 756 CE1 TYR A 47 -5.102 3.548 5.351 1.00 0.00 C ATOM 757 CE2 TYR A 47 -7.369 2.967 5.847 1.00 0.00 C ATOM 758 CZ TYR A 47 -6.016 2.793 6.054 1.00 0.00 C ATOM 759 OH TYR A 47 -5.578 1.859 6.965 1.00 0.00 O ATOM 0 H TYR A 47 -5.277 5.963 1.455 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.719 4.295 1.620 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.835 6.631 3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.436 5.921 3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.828 5.075 3.889 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.865 4.037 4.772 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.043 3.409 5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.083 2.374 6.398 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.349 1.414 7.374 1.00 0.00 H new ATOM 769 N THR A 48 -9.221 6.331 0.880 1.00 0.00 N ATOM 770 CA THR A 48 -9.979 7.254 0.046 1.00 0.00 C ATOM 771 C THR A 48 -10.271 8.553 0.789 1.00 0.00 C ATOM 772 O THR A 48 -10.085 8.640 2.003 1.00 0.00 O ATOM 773 CB THR A 48 -11.309 6.631 -0.418 1.00 0.00 C ATOM 774 OG1 THR A 48 -12.184 6.454 0.702 1.00 0.00 O ATOM 775 CG2 THR A 48 -11.070 5.291 -1.098 1.00 0.00 C ATOM 0 H THR A 48 -9.793 5.750 1.493 1.00 0.00 H new ATOM 0 HA THR A 48 -9.363 7.468 -0.828 1.00 0.00 H new ATOM 0 HB THR A 48 -11.771 7.308 -1.136 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.078 6.211 0.383 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.023 4.870 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.427 5.433 -1.967 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.588 4.609 -0.398 1.00 0.00 H new ATOM 783 N ARG A 49 -10.730 9.560 0.053 1.00 0.00 N ATOM 784 CA ARG A 49 -11.048 10.855 0.643 1.00 0.00 C ATOM 785 C ARG A 49 -12.119 10.713 1.721 1.00 0.00 C ATOM 786 O ARG A 49 -12.182 11.512 2.655 1.00 0.00 O ATOM 787 CB ARG A 49 -11.523 11.829 -0.437 1.00 0.00 C ATOM 788 CG ARG A 49 -12.101 13.120 0.119 1.00 0.00 C ATOM 789 CD ARG A 49 -11.005 14.114 0.471 1.00 0.00 C ATOM 790 NE ARG A 49 -10.475 14.786 -0.712 1.00 0.00 N ATOM 791 CZ ARG A 49 -9.823 15.943 -0.670 1.00 0.00 C ATOM 792 NH1 ARG A 49 -9.622 16.552 0.491 1.00 0.00 N ATOM 793 NH2 ARG A 49 -9.371 16.492 -1.790 1.00 0.00 N ATOM 0 H ARG A 49 -10.890 9.504 -0.953 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.142 11.248 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.685 12.068 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.278 11.338 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.775 13.564 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.695 12.902 1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.399 14.857 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.197 13.595 0.986 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.613 14.343 -1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.968 16.132 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.121 17.440 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.524 16.026 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.871 17.380 -1.757 1.00 0.00 H new ATOM 807 N GLU A 50 -12.958 9.691 1.584 1.00 0.00 N ATOM 808 CA GLU A 50 -14.026 9.446 2.546 1.00 0.00 C ATOM 809 C GLU A 50 -13.499 8.696 3.766 1.00 0.00 C ATOM 810 O GLU A 50 -13.979 8.889 4.882 1.00 0.00 O ATOM 811 CB GLU A 50 -15.157 8.648 1.893 1.00 0.00 C ATOM 812 CG GLU A 50 -15.738 9.315 0.658 1.00 0.00 C ATOM 813 CD GLU A 50 -16.956 8.589 0.121 1.00 0.00 C ATOM 814 OE1 GLU A 50 -17.886 8.324 0.911 1.00 0.00 O ATOM 815 OE2 GLU A 50 -16.979 8.285 -1.091 1.00 0.00 O ATOM 0 H GLU A 50 -12.919 9.020 0.817 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.413 10.411 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.784 7.661 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.953 8.498 2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.009 10.343 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.975 9.360 -0.119 1.00 0.00 H new ATOM 822 N GLY A 51 -12.506 7.840 3.543 1.00 0.00 N ATOM 823 CA GLY A 51 -11.930 7.074 4.633 1.00 0.00 C ATOM 824 C GLY A 51 -12.086 5.579 4.436 1.00 0.00 C ATOM 825 O GLY A 51 -12.411 4.853 5.376 1.00 0.00 O ATOM 0 H GLY A 51 -12.091 7.664 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.871 7.317 4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.406 7.366 5.569 1.00 0.00 H new ATOM 829 N ARG A 52 -11.856 5.117 3.211 1.00 0.00 N ATOM 830 CA ARG A 52 -11.976 3.699 2.894 1.00 0.00 C ATOM 831 C ARG A 52 -10.615 3.102 2.550 1.00 0.00 C ATOM 832 O ARG A 52 -9.588 3.773 2.654 1.00 0.00 O ATOM 833 CB ARG A 52 -12.944 3.496 1.727 1.00 0.00 C ATOM 834 CG ARG A 52 -14.254 4.251 1.883 1.00 0.00 C ATOM 835 CD ARG A 52 -15.315 3.391 2.552 1.00 0.00 C ATOM 836 NE ARG A 52 -16.667 3.837 2.224 1.00 0.00 N ATOM 837 CZ ARG A 52 -17.741 3.508 2.933 1.00 0.00 C ATOM 838 NH1 ARG A 52 -17.622 2.735 4.004 1.00 0.00 N ATOM 839 NH2 ARG A 52 -18.938 3.954 2.572 1.00 0.00 N ATOM 0 H ARG A 52 -11.586 5.704 2.422 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.366 3.187 3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.459 3.814 0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.158 2.432 1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.088 5.152 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.609 4.573 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.190 2.354 2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -15.176 3.419 3.633 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.793 4.433 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.704 2.391 4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.449 2.484 4.546 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.034 4.550 1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.762 3.701 3.117 1.00 0.00 H new ATOM 853 N GLN A 53 -10.616 1.837 2.141 1.00 0.00 N ATOM 854 CA GLN A 53 -9.381 1.150 1.783 1.00 0.00 C ATOM 855 C GLN A 53 -9.318 0.890 0.281 1.00 0.00 C ATOM 856 O GLN A 53 -9.611 -0.213 -0.180 1.00 0.00 O ATOM 857 CB GLN A 53 -9.267 -0.171 2.546 1.00 0.00 C ATOM 858 CG GLN A 53 -8.583 -0.035 3.897 1.00 0.00 C ATOM 859 CD GLN A 53 -7.915 -1.320 4.344 1.00 0.00 C ATOM 860 OE1 GLN A 53 -8.158 -1.809 5.448 1.00 0.00 O ATOM 861 NE2 GLN A 53 -7.065 -1.875 3.487 1.00 0.00 N ATOM 0 H GLN A 53 -11.458 1.268 2.049 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.545 1.793 2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.265 -0.584 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.713 -0.886 1.938 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.838 0.758 3.844 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.318 0.267 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.893 -1.436 2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.584 -2.740 3.733 1.00 0.00 H new ATOM 870 N SER A 54 -8.934 1.912 -0.476 1.00 0.00 N ATOM 871 CA SER A 54 -8.836 1.795 -1.926 1.00 0.00 C ATOM 872 C SER A 54 -8.156 0.488 -2.322 1.00 0.00 C ATOM 873 O SER A 54 -8.412 -0.059 -3.394 1.00 0.00 O ATOM 874 CB SER A 54 -8.062 2.981 -2.504 1.00 0.00 C ATOM 875 OG SER A 54 -6.704 2.949 -2.100 1.00 0.00 O ATOM 0 H SER A 54 -8.686 2.831 -0.109 1.00 0.00 H new ATOM 0 HA SER A 54 -9.847 1.796 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.122 2.963 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.521 3.914 -2.175 1.00 0.00 H new ATOM 0 HG SER A 54 -6.654 2.933 -1.121 1.00 0.00 H new ATOM 881 N GLY A 55 -7.288 -0.009 -1.446 1.00 0.00 N ATOM 882 CA GLY A 55 -6.583 -1.248 -1.720 1.00 0.00 C ATOM 883 C GLY A 55 -5.094 -1.039 -1.907 1.00 0.00 C ATOM 884 O GLY A 55 -4.284 -1.824 -1.415 1.00 0.00 O ATOM 0 H GLY A 55 -7.060 0.424 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.748 -1.946 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.998 -1.708 -2.617 1.00 0.00 H new ATOM 888 N GLU A 56 -4.732 0.022 -2.622 1.00 0.00 N ATOM 889 CA GLU A 56 -3.329 0.330 -2.874 1.00 0.00 C ATOM 890 C GLU A 56 -2.560 0.479 -1.564 1.00 0.00 C ATOM 891 O GLU A 56 -3.097 0.965 -0.569 1.00 0.00 O ATOM 892 CB GLU A 56 -3.205 1.612 -3.700 1.00 0.00 C ATOM 893 CG GLU A 56 -3.690 1.463 -5.132 1.00 0.00 C ATOM 894 CD GLU A 56 -4.231 2.759 -5.703 1.00 0.00 C ATOM 895 OE1 GLU A 56 -5.279 3.230 -5.213 1.00 0.00 O ATOM 896 OE2 GLU A 56 -3.608 3.301 -6.639 1.00 0.00 O ATOM 0 H GLU A 56 -5.390 0.682 -3.036 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.898 -0.498 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.774 2.404 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.162 1.928 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.868 1.111 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.468 0.701 -5.171 1.00 0.00 H new ATOM 903 N ALA A 57 -1.300 0.057 -1.573 1.00 0.00 N ATOM 904 CA ALA A 57 -0.457 0.145 -0.387 1.00 0.00 C ATOM 905 C ALA A 57 1.019 0.045 -0.755 1.00 0.00 C ATOM 906 O ALA A 57 1.452 -0.929 -1.370 1.00 0.00 O ATOM 907 CB ALA A 57 -0.830 -0.944 0.607 1.00 0.00 C ATOM 0 H ALA A 57 -0.841 -0.349 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.624 1.117 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.193 -0.866 1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.873 -0.826 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.692 -1.921 0.145 1.00 0.00 H new ATOM 913 N PHE A 58 1.789 1.060 -0.375 1.00 0.00 N ATOM 914 CA PHE A 58 3.218 1.087 -0.666 1.00 0.00 C ATOM 915 C PHE A 58 4.006 0.339 0.405 1.00 0.00 C ATOM 916 O PHE A 58 3.490 0.056 1.487 1.00 0.00 O ATOM 917 CB PHE A 58 3.712 2.532 -0.764 1.00 0.00 C ATOM 918 CG PHE A 58 3.121 3.291 -1.917 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.760 3.548 -1.969 1.00 0.00 C ATOM 920 CD2 PHE A 58 3.925 3.749 -2.948 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.213 4.246 -3.029 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.384 4.448 -4.010 1.00 0.00 C ATOM 923 CZ PHE A 58 2.026 4.698 -4.050 1.00 0.00 C ATOM 0 H PHE A 58 1.447 1.874 0.135 1.00 0.00 H new ATOM 0 HA PHE A 58 3.378 0.590 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.474 3.053 0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.798 2.531 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.120 3.199 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.988 3.557 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.151 4.438 -3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.022 4.798 -4.808 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.601 5.246 -4.878 1.00 0.00 H new ATOM 933 N VAL A 59 5.259 0.021 0.096 1.00 0.00 N ATOM 934 CA VAL A 59 6.119 -0.693 1.031 1.00 0.00 C ATOM 935 C VAL A 59 7.582 -0.311 0.834 1.00 0.00 C ATOM 936 O VAL A 59 8.108 -0.385 -0.276 1.00 0.00 O ATOM 937 CB VAL A 59 5.973 -2.219 0.875 1.00 0.00 C ATOM 938 CG1 VAL A 59 6.934 -2.945 1.803 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.537 -2.646 1.141 1.00 0.00 C ATOM 0 H VAL A 59 5.701 0.247 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 59 5.803 -0.406 2.034 1.00 0.00 H new ATOM 0 HB VAL A 59 6.224 -2.488 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.816 -4.021 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.958 -2.661 1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.717 -2.673 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.452 -3.727 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.256 -2.365 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.873 -2.152 0.431 1.00 0.00 H new ATOM 949 N GLU A 60 8.233 0.097 1.919 1.00 0.00 N ATOM 950 CA GLU A 60 9.636 0.491 1.864 1.00 0.00 C ATOM 951 C GLU A 60 10.548 -0.724 2.002 1.00 0.00 C ATOM 952 O GLU A 60 10.262 -1.646 2.768 1.00 0.00 O ATOM 953 CB GLU A 60 9.947 1.504 2.968 1.00 0.00 C ATOM 954 CG GLU A 60 9.337 2.874 2.726 1.00 0.00 C ATOM 955 CD GLU A 60 9.977 3.956 3.574 1.00 0.00 C ATOM 956 OE1 GLU A 60 11.205 3.892 3.789 1.00 0.00 O ATOM 957 OE2 GLU A 60 9.250 4.866 4.023 1.00 0.00 O ATOM 0 H GLU A 60 7.812 0.163 2.846 1.00 0.00 H new ATOM 0 HA GLU A 60 9.820 0.953 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.582 1.116 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.028 1.608 3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.442 3.133 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.269 2.835 2.939 1.00 0.00 H new ATOM 964 N LEU A 61 11.646 -0.720 1.255 1.00 0.00 N ATOM 965 CA LEU A 61 12.602 -1.822 1.293 1.00 0.00 C ATOM 966 C LEU A 61 13.903 -1.391 1.961 1.00 0.00 C ATOM 967 O LEU A 61 14.053 -0.238 2.364 1.00 0.00 O ATOM 968 CB LEU A 61 12.885 -2.326 -0.124 1.00 0.00 C ATOM 969 CG LEU A 61 11.662 -2.716 -0.955 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.073 -3.070 -2.375 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.925 -3.878 -0.305 1.00 0.00 C ATOM 0 H LEU A 61 11.897 0.034 0.615 1.00 0.00 H new ATOM 0 HA LEU A 61 12.165 -2.630 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.432 -1.551 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.544 -3.192 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 61 10.987 -1.861 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.190 -3.345 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.556 -2.210 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.768 -3.909 -2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.057 -4.142 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.592 -4.737 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.597 -3.588 0.693 1.00 0.00 H new ATOM 983 N GLU A 62 14.842 -2.326 2.074 1.00 0.00 N ATOM 984 CA GLU A 62 16.131 -2.042 2.693 1.00 0.00 C ATOM 985 C GLU A 62 17.168 -1.660 1.640 1.00 0.00 C ATOM 986 O GLU A 62 17.861 -0.652 1.774 1.00 0.00 O ATOM 987 CB GLU A 62 16.619 -3.255 3.488 1.00 0.00 C ATOM 988 CG GLU A 62 17.960 -3.039 4.168 1.00 0.00 C ATOM 989 CD GLU A 62 17.835 -2.287 5.479 1.00 0.00 C ATOM 990 OE1 GLU A 62 17.100 -2.763 6.368 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.474 -1.223 5.615 1.00 0.00 O ATOM 0 H GLU A 62 14.734 -3.285 1.745 1.00 0.00 H new ATOM 0 HA GLU A 62 16.001 -1.200 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.875 -3.507 4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.695 -4.111 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.430 -4.005 4.351 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.618 -2.486 3.498 1.00 0.00 H new ATOM 998 N SER A 63 17.267 -2.473 0.594 1.00 0.00 N ATOM 999 CA SER A 63 18.221 -2.224 -0.480 1.00 0.00 C ATOM 1000 C SER A 63 17.554 -2.367 -1.844 1.00 0.00 C ATOM 1001 O SER A 63 16.343 -2.569 -1.936 1.00 0.00 O ATOM 1002 CB SER A 63 19.404 -3.189 -0.375 1.00 0.00 C ATOM 1003 OG SER A 63 20.042 -3.078 0.886 1.00 0.00 O ATOM 0 H SER A 63 16.698 -3.310 0.467 1.00 0.00 H new ATOM 0 HA SER A 63 18.585 -1.202 -0.378 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.057 -4.212 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.121 -2.978 -1.169 1.00 0.00 H new ATOM 0 HG SER A 63 20.793 -3.706 0.929 1.00 0.00 H new ATOM 1009 N GLU A 64 18.353 -2.261 -2.902 1.00 0.00 N ATOM 1010 CA GLU A 64 17.839 -2.378 -4.261 1.00 0.00 C ATOM 1011 C GLU A 64 17.296 -3.781 -4.519 1.00 0.00 C ATOM 1012 O GLU A 64 16.125 -3.952 -4.858 1.00 0.00 O ATOM 1013 CB GLU A 64 18.937 -2.050 -5.275 1.00 0.00 C ATOM 1014 CG GLU A 64 18.425 -1.885 -6.696 1.00 0.00 C ATOM 1015 CD GLU A 64 19.515 -1.471 -7.665 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.405 -0.695 -7.258 1.00 0.00 O ATOM 1017 OE2 GLU A 64 19.477 -1.921 -8.829 1.00 0.00 O ATOM 0 H GLU A 64 19.358 -2.094 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 64 17.023 -1.665 -4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.439 -1.132 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.685 -2.843 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.984 -2.824 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.631 -1.138 -6.708 1.00 0.00 H new ATOM 1024 N ASP A 65 18.156 -4.781 -4.356 1.00 0.00 N ATOM 1025 CA ASP A 65 17.764 -6.169 -4.570 1.00 0.00 C ATOM 1026 C ASP A 65 16.312 -6.393 -4.159 1.00 0.00 C ATOM 1027 O ASP A 65 15.542 -7.025 -4.883 1.00 0.00 O ATOM 1028 CB ASP A 65 18.680 -7.107 -3.783 1.00 0.00 C ATOM 1029 CG ASP A 65 18.417 -7.055 -2.291 1.00 0.00 C ATOM 1030 OD1 ASP A 65 18.387 -5.939 -1.732 1.00 0.00 O ATOM 1031 OD2 ASP A 65 18.244 -8.131 -1.681 1.00 0.00 O ATOM 0 H ASP A 65 19.129 -4.656 -4.076 1.00 0.00 H new ATOM 0 HA ASP A 65 17.860 -6.388 -5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.541 -8.128 -4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 65 19.719 -6.841 -3.975 1.00 0.00 H new ATOM 1036 N ASP A 66 15.945 -5.872 -2.994 1.00 0.00 N ATOM 1037 CA ASP A 66 14.585 -6.015 -2.486 1.00 0.00 C ATOM 1038 C ASP A 66 13.564 -5.653 -3.560 1.00 0.00 C ATOM 1039 O ASP A 66 12.623 -6.405 -3.816 1.00 0.00 O ATOM 1040 CB ASP A 66 14.382 -5.132 -1.254 1.00 0.00 C ATOM 1041 CG ASP A 66 15.174 -5.619 -0.056 1.00 0.00 C ATOM 1042 OD1 ASP A 66 16.226 -6.261 -0.261 1.00 0.00 O ATOM 1043 OD2 ASP A 66 14.741 -5.359 1.086 1.00 0.00 O ATOM 0 H ASP A 66 16.570 -5.346 -2.383 1.00 0.00 H new ATOM 0 HA ASP A 66 14.436 -7.057 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.678 -4.110 -1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.322 -5.106 -0.999 1.00 0.00 H new ATOM 1048 N VAL A 67 13.754 -4.496 -4.185 1.00 0.00 N ATOM 1049 CA VAL A 67 12.850 -4.034 -5.232 1.00 0.00 C ATOM 1050 C VAL A 67 12.683 -5.089 -6.319 1.00 0.00 C ATOM 1051 O VAL A 67 11.577 -5.567 -6.572 1.00 0.00 O ATOM 1052 CB VAL A 67 13.354 -2.727 -5.873 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.376 -2.239 -6.930 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.575 -1.663 -4.808 1.00 0.00 C ATOM 0 H VAL A 67 14.526 -3.861 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 67 11.886 -3.849 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 67 14.309 -2.926 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.749 -1.315 -7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.272 -2.996 -7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.405 -2.055 -6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.931 -0.746 -5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.636 -1.465 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.317 -2.015 -4.091 1.00 0.00 H new ATOM 1064 N LYS A 68 13.789 -5.449 -6.961 1.00 0.00 N ATOM 1065 CA LYS A 68 13.768 -6.450 -8.021 1.00 0.00 C ATOM 1066 C LYS A 68 13.010 -7.697 -7.577 1.00 0.00 C ATOM 1067 O LYS A 68 12.255 -8.286 -8.352 1.00 0.00 O ATOM 1068 CB LYS A 68 15.195 -6.825 -8.425 1.00 0.00 C ATOM 1069 CG LYS A 68 16.055 -5.631 -8.802 1.00 0.00 C ATOM 1070 CD LYS A 68 17.493 -6.041 -9.069 1.00 0.00 C ATOM 1071 CE LYS A 68 18.454 -4.883 -8.843 1.00 0.00 C ATOM 1072 NZ LYS A 68 19.846 -5.232 -9.240 1.00 0.00 N ATOM 0 H LYS A 68 14.712 -5.062 -6.765 1.00 0.00 H new ATOM 0 HA LYS A 68 13.254 -6.021 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.669 -7.357 -7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.155 -7.514 -9.268 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.642 -5.150 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.029 -4.895 -7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.763 -6.872 -8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.586 -6.398 -10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.120 -4.017 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.437 -4.597 -7.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.470 -4.417 -9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.175 -6.043 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.867 -5.480 -10.250 1.00 0.00 H new ATOM 1086 N LEU A 69 13.214 -8.094 -6.326 1.00 0.00 N ATOM 1087 CA LEU A 69 12.548 -9.270 -5.778 1.00 0.00 C ATOM 1088 C LEU A 69 11.042 -9.047 -5.678 1.00 0.00 C ATOM 1089 O LEU A 69 10.251 -9.879 -6.118 1.00 0.00 O ATOM 1090 CB LEU A 69 13.118 -9.608 -4.399 1.00 0.00 C ATOM 1091 CG LEU A 69 14.584 -10.042 -4.366 1.00 0.00 C ATOM 1092 CD1 LEU A 69 15.071 -10.168 -2.931 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.767 -11.356 -5.112 1.00 0.00 C ATOM 0 H LEU A 69 13.836 -7.619 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 69 12.728 -10.106 -6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.004 -8.735 -3.757 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.514 -10.404 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 69 15.181 -9.278 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.116 -10.478 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.976 -9.205 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.470 -10.911 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.816 -11.650 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.158 -12.129 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.458 -11.231 -6.150 1.00 0.00 H new ATOM 1105 N ALA A 70 10.655 -7.916 -5.097 1.00 0.00 N ATOM 1106 CA ALA A 70 9.245 -7.581 -4.943 1.00 0.00 C ATOM 1107 C ALA A 70 8.509 -7.678 -6.275 1.00 0.00 C ATOM 1108 O ALA A 70 7.405 -8.220 -6.348 1.00 0.00 O ATOM 1109 CB ALA A 70 9.095 -6.185 -4.356 1.00 0.00 C ATOM 0 H ALA A 70 11.298 -7.217 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 70 8.799 -8.302 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.037 -5.948 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.578 -6.147 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.563 -5.459 -5.021 1.00 0.00 H new ATOM 1115 N LEU A 71 9.125 -7.149 -7.326 1.00 0.00 N ATOM 1116 CA LEU A 71 8.528 -7.176 -8.657 1.00 0.00 C ATOM 1117 C LEU A 71 8.219 -8.607 -9.087 1.00 0.00 C ATOM 1118 O LEU A 71 7.403 -8.836 -9.979 1.00 0.00 O ATOM 1119 CB LEU A 71 9.464 -6.517 -9.671 1.00 0.00 C ATOM 1120 CG LEU A 71 9.618 -5.000 -9.555 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.754 -4.510 -10.440 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.316 -4.302 -9.919 1.00 0.00 C ATOM 0 H LEU A 71 10.038 -6.696 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 71 7.592 -6.618 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.450 -6.971 -9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 71 9.104 -6.750 -10.673 1.00 0.00 H new ATOM 0 HG LEU A 71 9.860 -4.756 -8.520 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.849 -3.428 -10.345 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.686 -4.985 -10.132 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.543 -4.766 -11.478 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.444 -3.223 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.043 -4.552 -10.944 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.526 -4.630 -9.243 1.00 0.00 H new ATOM 1134 N LYS A 72 8.877 -9.566 -8.444 1.00 0.00 N ATOM 1135 CA LYS A 72 8.671 -10.976 -8.757 1.00 0.00 C ATOM 1136 C LYS A 72 7.359 -11.479 -8.164 1.00 0.00 C ATOM 1137 O LYS A 72 6.830 -12.508 -8.584 1.00 0.00 O ATOM 1138 CB LYS A 72 9.837 -11.812 -8.225 1.00 0.00 C ATOM 1139 CG LYS A 72 11.197 -11.339 -8.710 1.00 0.00 C ATOM 1140 CD LYS A 72 12.296 -12.316 -8.330 1.00 0.00 C ATOM 1141 CE LYS A 72 13.674 -11.757 -8.650 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.068 -12.027 -10.060 1.00 0.00 N ATOM 0 H LYS A 72 9.557 -9.393 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 72 8.622 -11.079 -9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.821 -11.790 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.695 -12.850 -8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.176 -11.217 -9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.416 -10.360 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.232 -12.541 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.150 -13.255 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.680 -10.682 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.410 -12.197 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.013 -11.630 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.087 -13.054 -10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.380 -11.586 -10.703 1.00 0.00 H new ATOM 1156 N LYS A 73 6.837 -10.746 -7.186 1.00 0.00 N ATOM 1157 CA LYS A 73 5.585 -11.115 -6.537 1.00 0.00 C ATOM 1158 C LYS A 73 4.390 -10.544 -7.294 1.00 0.00 C ATOM 1159 O LYS A 73 3.308 -10.379 -6.731 1.00 0.00 O ATOM 1160 CB LYS A 73 5.571 -10.618 -5.090 1.00 0.00 C ATOM 1161 CG LYS A 73 6.902 -10.782 -4.377 1.00 0.00 C ATOM 1162 CD LYS A 73 7.172 -12.236 -4.028 1.00 0.00 C ATOM 1163 CE LYS A 73 6.376 -12.674 -2.809 1.00 0.00 C ATOM 1164 NZ LYS A 73 6.171 -14.148 -2.780 1.00 0.00 N ATOM 0 H LYS A 73 7.263 -9.892 -6.825 1.00 0.00 H new ATOM 0 HA LYS A 73 5.509 -12.202 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.290 -9.565 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.803 -11.158 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.704 -10.404 -5.011 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.905 -10.182 -3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.916 -12.869 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.236 -12.374 -3.838 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.897 -12.362 -1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.408 -12.173 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.624 -14.406 -1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.651 -14.443 -3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.094 -14.626 -2.755 1.00 0.00 H new ATOM 1178 N ASP A 74 4.594 -10.245 -8.572 1.00 0.00 N ATOM 1179 CA ASP A 74 3.532 -9.694 -9.407 1.00 0.00 C ATOM 1180 C ASP A 74 2.428 -10.722 -9.630 1.00 0.00 C ATOM 1181 O ASP A 74 2.617 -11.914 -9.387 1.00 0.00 O ATOM 1182 CB ASP A 74 4.098 -9.235 -10.752 1.00 0.00 C ATOM 1183 CG ASP A 74 4.219 -10.372 -11.747 1.00 0.00 C ATOM 1184 OD1 ASP A 74 5.156 -11.186 -11.608 1.00 0.00 O ATOM 1185 OD2 ASP A 74 3.376 -10.448 -12.665 1.00 0.00 O ATOM 0 H ASP A 74 5.484 -10.375 -9.053 1.00 0.00 H new ATOM 0 HA ASP A 74 3.105 -8.835 -8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.455 -8.459 -11.168 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.079 -8.786 -10.596 1.00 0.00 H new ATOM 1190 N ARG A 75 1.273 -10.252 -10.092 1.00 0.00 N ATOM 1191 CA ARG A 75 0.137 -11.130 -10.345 1.00 0.00 C ATOM 1192 C ARG A 75 0.093 -12.269 -9.329 1.00 0.00 C ATOM 1193 O ARG A 75 -0.322 -13.382 -9.649 1.00 0.00 O ATOM 1194 CB ARG A 75 0.212 -11.700 -11.763 1.00 0.00 C ATOM 1195 CG ARG A 75 0.998 -12.998 -11.857 1.00 0.00 C ATOM 1196 CD ARG A 75 1.662 -13.150 -13.216 1.00 0.00 C ATOM 1197 NE ARG A 75 0.684 -13.301 -14.290 1.00 0.00 N ATOM 1198 CZ ARG A 75 1.002 -13.660 -15.529 1.00 0.00 C ATOM 1199 NH1 ARG A 75 2.265 -13.904 -15.848 1.00 0.00 N ATOM 1200 NH2 ARG A 75 0.055 -13.776 -16.451 1.00 0.00 N ATOM 0 H ARG A 75 1.100 -9.268 -10.298 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.775 -10.541 -10.245 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.800 -11.870 -12.131 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.669 -10.960 -12.419 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.757 -13.022 -11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.331 -13.842 -11.680 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.286 -12.278 -13.414 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.322 -14.018 -13.202 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.297 -13.121 -14.077 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.996 -13.816 -15.142 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.507 -14.179 -16.800 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.918 -13.589 -16.209 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.300 -14.052 -17.402 1.00 0.00 H new ATOM 1214 N GLU A 76 0.525 -11.980 -8.106 1.00 0.00 N ATOM 1215 CA GLU A 76 0.535 -12.980 -7.045 1.00 0.00 C ATOM 1216 C GLU A 76 -0.846 -13.114 -6.409 1.00 0.00 C ATOM 1217 O GLU A 76 -1.811 -12.499 -6.861 1.00 0.00 O ATOM 1218 CB GLU A 76 1.567 -12.612 -5.976 1.00 0.00 C ATOM 1219 CG GLU A 76 2.957 -13.155 -6.260 1.00 0.00 C ATOM 1220 CD GLU A 76 3.021 -14.668 -6.174 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.593 -15.335 -7.140 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.499 -15.185 -5.143 1.00 0.00 O ATOM 0 H GLU A 76 0.872 -11.063 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 76 0.806 -13.938 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.620 -11.526 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.229 -12.990 -5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.271 -12.838 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.663 -12.724 -5.550 1.00 0.00 H new ATOM 1229 N SER A 77 -0.931 -13.923 -5.358 1.00 0.00 N ATOM 1230 CA SER A 77 -2.194 -14.142 -4.662 1.00 0.00 C ATOM 1231 C SER A 77 -1.993 -14.115 -3.150 1.00 0.00 C ATOM 1232 O SER A 77 -1.217 -14.897 -2.602 1.00 0.00 O ATOM 1233 CB SER A 77 -2.807 -15.478 -5.083 1.00 0.00 C ATOM 1234 OG SER A 77 -3.062 -15.507 -6.476 1.00 0.00 O ATOM 0 H SER A 77 -0.141 -14.438 -4.970 1.00 0.00 H new ATOM 0 HA SER A 77 -2.875 -13.336 -4.934 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.132 -16.291 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.736 -15.643 -4.537 1.00 0.00 H new ATOM 0 HG SER A 77 -3.955 -15.143 -6.653 1.00 0.00 H new ATOM 1240 N MET A 78 -2.698 -13.207 -2.482 1.00 0.00 N ATOM 1241 CA MET A 78 -2.598 -13.078 -1.033 1.00 0.00 C ATOM 1242 C MET A 78 -3.899 -13.502 -0.358 1.00 0.00 C ATOM 1243 O MET A 78 -4.931 -12.852 -0.516 1.00 0.00 O ATOM 1244 CB MET A 78 -2.257 -11.637 -0.650 1.00 0.00 C ATOM 1245 CG MET A 78 -2.367 -11.362 0.841 1.00 0.00 C ATOM 1246 SD MET A 78 -2.475 -9.602 1.217 1.00 0.00 S ATOM 1247 CE MET A 78 -0.792 -9.082 0.889 1.00 0.00 C ATOM 0 H MET A 78 -3.344 -12.551 -2.921 1.00 0.00 H new ATOM 0 HA MET A 78 -1.800 -13.736 -0.689 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.242 -11.413 -0.979 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.922 -10.960 -1.186 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.248 -11.869 1.236 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.501 -11.786 1.349 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.492 -8.336 1.625 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.126 -9.943 0.953 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.733 -8.651 -0.110 1.00 0.00 H new ATOM 1257 N GLY A 79 -3.841 -14.597 0.394 1.00 0.00 N ATOM 1258 CA GLY A 79 -5.022 -15.088 1.081 1.00 0.00 C ATOM 1259 C GLY A 79 -6.033 -15.698 0.130 1.00 0.00 C ATOM 1260 O GLY A 79 -5.963 -16.886 -0.184 1.00 0.00 O ATOM 0 H GLY A 79 -2.998 -15.153 0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.726 -15.833 1.819 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.489 -14.268 1.626 1.00 0.00 H new ATOM 1264 N HIS A 80 -6.979 -14.884 -0.328 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.010 -15.350 -1.247 1.00 0.00 C ATOM 1266 C HIS A 80 -8.210 -14.358 -2.389 1.00 0.00 C ATOM 1267 O HIS A 80 -9.238 -14.376 -3.067 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.329 -15.562 -0.503 1.00 0.00 C ATOM 1269 CG HIS A 80 -9.751 -14.380 0.315 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -10.735 -13.500 -0.086 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -9.319 -13.936 1.518 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -10.887 -12.565 0.834 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -10.040 -12.806 1.818 1.00 0.00 N ATOM 0 H HIS A 80 -7.052 -13.898 -0.077 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.683 -16.300 -1.668 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.112 -15.792 -1.226 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.233 -16.430 0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.550 -14.386 2.129 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.586 -11.743 0.789 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.938 -12.244 2.663 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.222 -13.494 -2.595 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.290 -12.493 -3.653 1.00 0.00 C ATOM 1284 C ARG A 81 -5.950 -12.370 -4.372 1.00 0.00 C ATOM 1285 O ARG A 81 -4.950 -12.948 -3.946 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.698 -11.137 -3.076 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.064 -11.144 -2.410 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.601 -9.734 -2.223 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.239 -9.226 -3.435 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.490 -9.510 -3.781 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -12.232 -10.293 -3.011 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -12.000 -9.010 -4.899 1.00 0.00 N ATOM 0 H ARG A 81 -6.365 -13.467 -2.043 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.042 -12.814 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.950 -10.822 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.697 -10.396 -3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.762 -11.723 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.995 -11.639 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.320 -9.726 -1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.785 -9.070 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.694 -8.620 -4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.843 -10.679 -2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.192 -10.510 -3.279 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.432 -8.407 -5.494 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.960 -9.229 -5.164 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.938 -11.614 -5.464 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.722 -11.417 -6.244 1.00 0.00 C ATOM 1308 C TYR A 82 -4.050 -10.096 -5.882 1.00 0.00 C ATOM 1309 O TYR A 82 -4.721 -9.105 -5.590 1.00 0.00 O ATOM 1310 CB TYR A 82 -5.040 -11.447 -7.740 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.876 -12.813 -8.367 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.737 -13.855 -8.045 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.860 -13.062 -9.281 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.591 -15.105 -8.615 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.707 -14.309 -9.857 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.574 -15.327 -9.520 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.426 -16.570 -10.091 1.00 0.00 O ATOM 0 H TYR A 82 -6.757 -11.127 -5.829 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.035 -12.230 -6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.065 -11.108 -7.892 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.390 -10.740 -8.255 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.534 -13.685 -7.337 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.178 -12.268 -9.546 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.269 -15.904 -8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.913 -14.485 -10.567 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.664 -16.559 -10.707 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.721 -10.090 -5.903 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.958 -8.891 -5.579 1.00 0.00 C ATOM 1329 C ILE A 83 -1.048 -8.490 -6.735 1.00 0.00 C ATOM 1330 O ILE A 83 -0.336 -9.323 -7.295 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.104 -9.093 -4.314 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.930 -9.767 -3.217 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.556 -7.760 -3.827 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.137 -8.963 -2.788 1.00 0.00 C ATOM 0 H ILE A 83 -2.151 -10.902 -6.141 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.681 -8.096 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.263 -9.742 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.261 -10.743 -3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.293 -9.942 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.046 -7.919 -2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.063 -7.315 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.383 -7.090 -3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.675 -9.502 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.812 -7.996 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.795 -8.810 -3.643 1.00 0.00 H new ATOM 1346 N GLU A 84 -1.075 -7.208 -7.085 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.251 -6.696 -8.174 1.00 0.00 C ATOM 1348 C GLU A 84 0.845 -5.777 -7.641 1.00 0.00 C ATOM 1349 O GLU A 84 0.569 -4.816 -6.922 1.00 0.00 O ATOM 1350 CB GLU A 84 -1.115 -5.944 -9.188 1.00 0.00 C ATOM 1351 CG GLU A 84 -2.135 -6.825 -9.890 1.00 0.00 C ATOM 1352 CD GLU A 84 -3.132 -6.026 -10.706 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -4.092 -5.490 -10.113 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -2.952 -5.936 -11.939 1.00 0.00 O ATOM 0 H GLU A 84 -1.658 -6.505 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 84 0.220 -7.545 -8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.637 -5.134 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.467 -5.486 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.616 -7.526 -10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.670 -7.417 -9.148 1.00 0.00 H new ATOM 1361 N VAL A 85 2.089 -6.079 -7.999 1.00 0.00 N ATOM 1362 CA VAL A 85 3.226 -5.280 -7.559 1.00 0.00 C ATOM 1363 C VAL A 85 3.566 -4.198 -8.578 1.00 0.00 C ATOM 1364 O VAL A 85 3.462 -4.414 -9.785 1.00 0.00 O ATOM 1365 CB VAL A 85 4.470 -6.157 -7.324 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.625 -5.317 -6.801 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.148 -7.292 -6.363 1.00 0.00 C ATOM 0 H VAL A 85 2.335 -6.871 -8.593 1.00 0.00 H new ATOM 0 HA VAL A 85 2.938 -4.811 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 85 4.771 -6.592 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.495 -5.954 -6.641 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.871 -4.543 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.338 -4.851 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.038 -7.902 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.821 -6.879 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.354 -7.910 -6.782 1.00 0.00 H new ATOM 1377 N PHE A 86 3.972 -3.034 -8.083 1.00 0.00 N ATOM 1378 CA PHE A 86 4.327 -1.917 -8.950 1.00 0.00 C ATOM 1379 C PHE A 86 5.599 -1.231 -8.461 1.00 0.00 C ATOM 1380 O PHE A 86 5.700 -0.841 -7.298 1.00 0.00 O ATOM 1381 CB PHE A 86 3.180 -0.906 -9.011 1.00 0.00 C ATOM 1382 CG PHE A 86 2.016 -1.368 -9.840 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.178 -1.658 -11.185 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.760 -1.514 -9.274 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.110 -2.084 -11.951 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.313 -1.940 -10.035 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.138 -2.224 -11.375 1.00 0.00 C ATOM 0 H PHE A 86 4.063 -2.840 -7.086 1.00 0.00 H new ATOM 0 HA PHE A 86 4.509 -2.310 -9.950 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.835 -0.699 -7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.555 0.033 -9.418 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.151 -1.550 -11.640 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.617 -1.293 -8.227 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.250 -2.307 -12.998 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.287 -2.051 -9.582 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.975 -2.555 -11.972 1.00 0.00 H new ATOM 1397 N LYS A 87 6.569 -1.088 -9.358 1.00 0.00 N ATOM 1398 CA LYS A 87 7.836 -0.449 -9.020 1.00 0.00 C ATOM 1399 C LYS A 87 7.655 1.055 -8.836 1.00 0.00 C ATOM 1400 O LYS A 87 7.272 1.762 -9.768 1.00 0.00 O ATOM 1401 CB LYS A 87 8.874 -0.718 -10.112 1.00 0.00 C ATOM 1402 CG LYS A 87 10.304 -0.725 -9.602 1.00 0.00 C ATOM 1403 CD LYS A 87 10.812 0.685 -9.348 1.00 0.00 C ATOM 1404 CE LYS A 87 12.323 0.710 -9.174 1.00 0.00 C ATOM 1405 NZ LYS A 87 13.028 0.906 -10.471 1.00 0.00 N ATOM 0 H LYS A 87 6.502 -1.406 -10.325 1.00 0.00 H new ATOM 0 HA LYS A 87 8.188 -0.873 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.658 -1.680 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.778 0.041 -10.888 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.360 -1.304 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.948 -1.219 -10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.530 1.330 -10.180 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.335 1.089 -8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.596 1.511 -8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.652 -0.225 -8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.055 0.917 -10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.788 0.128 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.734 1.810 -10.893 1.00 0.00 H new ATOM 1419 N SER A 88 7.933 1.536 -7.629 1.00 0.00 N ATOM 1420 CA SER A 88 7.798 2.956 -7.323 1.00 0.00 C ATOM 1421 C SER A 88 8.864 3.400 -6.326 1.00 0.00 C ATOM 1422 O SER A 88 9.519 2.573 -5.690 1.00 0.00 O ATOM 1423 CB SER A 88 6.405 3.248 -6.761 1.00 0.00 C ATOM 1424 OG SER A 88 5.992 4.565 -7.083 1.00 0.00 O ATOM 0 H SER A 88 8.253 0.964 -6.847 1.00 0.00 H new ATOM 0 HA SER A 88 7.934 3.517 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.689 2.530 -7.163 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.412 3.120 -5.679 1.00 0.00 H new ATOM 0 HG SER A 88 5.098 4.727 -6.715 1.00 0.00 H new ATOM 1430 N HIS A 89 9.033 4.712 -6.194 1.00 0.00 N ATOM 1431 CA HIS A 89 10.019 5.268 -5.275 1.00 0.00 C ATOM 1432 C HIS A 89 9.356 5.729 -3.981 1.00 0.00 C ATOM 1433 O HIS A 89 8.160 5.521 -3.776 1.00 0.00 O ATOM 1434 CB HIS A 89 10.756 6.437 -5.929 1.00 0.00 C ATOM 1435 CG HIS A 89 9.931 7.175 -6.938 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.442 6.785 -8.138 1.00 0.00 N flip ATOM 1437 CD2 HIS A 89 9.520 8.480 -6.764 1.00 0.00 C flip ATOM 1438 CE1 HIS A 89 8.750 7.850 -8.661 1.00 0.00 C flip ATOM 1439 NE2 HIS A 89 8.812 8.860 -7.812 1.00 0.00 N flip ATOM 0 H HIS A 89 8.499 5.410 -6.712 1.00 0.00 H new ATOM 0 HA HIS A 89 10.738 4.484 -5.035 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.076 7.133 -5.154 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.658 6.062 -6.413 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.742 9.095 -5.905 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.238 7.860 -9.612 1.00 0.00 H new ATOM 0 HE2 HIS A 89 8.386 9.777 -7.943 1.00 0.00 H new ATOM 1448 N ARG A 90 10.141 6.355 -3.110 1.00 0.00 N ATOM 1449 CA ARG A 90 9.630 6.844 -1.835 1.00 0.00 C ATOM 1450 C ARG A 90 9.039 8.243 -1.986 1.00 0.00 C ATOM 1451 O ARG A 90 8.033 8.575 -1.358 1.00 0.00 O ATOM 1452 CB ARG A 90 10.744 6.860 -0.787 1.00 0.00 C ATOM 1453 CG ARG A 90 11.543 8.153 -0.768 1.00 0.00 C ATOM 1454 CD ARG A 90 10.900 9.193 0.136 1.00 0.00 C ATOM 1455 NE ARG A 90 11.299 10.551 -0.222 1.00 0.00 N ATOM 1456 CZ ARG A 90 12.390 11.145 0.250 1.00 0.00 C ATOM 1457 NH1 ARG A 90 13.186 10.502 1.093 1.00 0.00 N ATOM 1458 NH2 ARG A 90 12.687 12.383 -0.123 1.00 0.00 N ATOM 0 H ARG A 90 11.133 6.535 -3.264 1.00 0.00 H new ATOM 0 HA ARG A 90 8.840 6.168 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.307 6.698 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.421 6.027 -0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.558 7.950 -0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.621 8.548 -1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.815 9.106 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 90 11.177 8.995 1.171 1.00 0.00 H new ATOM 0 HE ARG A 90 10.708 11.072 -0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.962 9.549 1.380 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.023 10.960 1.454 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.078 12.880 -0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.525 12.838 0.240 1.00 0.00 H new ATOM 1472 N THR A 91 9.671 9.059 -2.824 1.00 0.00 N ATOM 1473 CA THR A 91 9.209 10.422 -3.056 1.00 0.00 C ATOM 1474 C THR A 91 7.768 10.437 -3.552 1.00 0.00 C ATOM 1475 O THR A 91 6.970 11.280 -3.143 1.00 0.00 O ATOM 1476 CB THR A 91 10.100 11.150 -4.081 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.332 11.543 -3.466 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.392 12.375 -4.640 1.00 0.00 C ATOM 0 H THR A 91 10.504 8.800 -3.353 1.00 0.00 H new ATOM 0 HA THR A 91 9.267 10.942 -2.100 1.00 0.00 H new ATOM 0 HB THR A 91 10.307 10.464 -4.902 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.894 12.003 -4.124 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.040 12.872 -5.361 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.469 12.069 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.159 13.063 -3.827 1.00 0.00 H new ATOM 1486 N GLU A 92 7.441 9.499 -4.436 1.00 0.00 N ATOM 1487 CA GLU A 92 6.094 9.406 -4.987 1.00 0.00 C ATOM 1488 C GLU A 92 5.114 8.877 -3.943 1.00 0.00 C ATOM 1489 O GLU A 92 3.936 9.234 -3.946 1.00 0.00 O ATOM 1490 CB GLU A 92 6.084 8.497 -6.218 1.00 0.00 C ATOM 1491 CG GLU A 92 4.699 8.005 -6.600 1.00 0.00 C ATOM 1492 CD GLU A 92 4.598 7.624 -8.064 1.00 0.00 C ATOM 1493 OE1 GLU A 92 5.131 8.373 -8.910 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.987 6.577 -8.364 1.00 0.00 O ATOM 0 H GLU A 92 8.090 8.794 -4.785 1.00 0.00 H new ATOM 0 HA GLU A 92 5.780 10.407 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.514 9.037 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.727 7.637 -6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.442 7.142 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.968 8.783 -6.380 1.00 0.00 H new ATOM 1501 N MET A 93 5.610 8.025 -3.053 1.00 0.00 N ATOM 1502 CA MET A 93 4.779 7.447 -2.003 1.00 0.00 C ATOM 1503 C MET A 93 4.547 8.452 -0.879 1.00 0.00 C ATOM 1504 O MET A 93 3.589 8.333 -0.115 1.00 0.00 O ATOM 1505 CB MET A 93 5.432 6.181 -1.444 1.00 0.00 C ATOM 1506 CG MET A 93 4.742 5.639 -0.203 1.00 0.00 C ATOM 1507 SD MET A 93 5.731 4.400 0.656 1.00 0.00 S ATOM 1508 CE MET A 93 7.084 5.406 1.261 1.00 0.00 C ATOM 0 H MET A 93 6.583 7.719 -3.037 1.00 0.00 H new ATOM 0 HA MET A 93 3.815 7.187 -2.439 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.432 5.411 -2.215 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.474 6.394 -1.207 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.527 6.463 0.478 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.785 5.202 -0.486 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.465 4.983 2.190 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.882 5.428 0.518 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.730 6.421 1.443 1.00 0.00 H new ATOM 1518 N ASP A 94 5.429 9.441 -0.783 1.00 0.00 N ATOM 1519 CA ASP A 94 5.320 10.467 0.247 1.00 0.00 C ATOM 1520 C ASP A 94 4.142 11.395 -0.033 1.00 0.00 C ATOM 1521 O ASP A 94 3.513 11.911 0.890 1.00 0.00 O ATOM 1522 CB ASP A 94 6.615 11.276 0.330 1.00 0.00 C ATOM 1523 CG ASP A 94 7.611 10.677 1.304 1.00 0.00 C ATOM 1524 OD1 ASP A 94 7.688 9.433 1.383 1.00 0.00 O ATOM 1525 OD2 ASP A 94 8.314 11.452 1.985 1.00 0.00 O ATOM 0 H ASP A 94 6.228 9.554 -1.407 1.00 0.00 H new ATOM 0 HA ASP A 94 5.149 9.971 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.068 11.333 -0.660 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.383 12.297 0.634 1.00 0.00 H new ATOM 1530 N TRP A 95 3.851 11.603 -1.312 1.00 0.00 N ATOM 1531 CA TRP A 95 2.749 12.470 -1.714 1.00 0.00 C ATOM 1532 C TRP A 95 1.435 11.698 -1.752 1.00 0.00 C ATOM 1533 O TRP A 95 0.420 12.156 -1.227 1.00 0.00 O ATOM 1534 CB TRP A 95 3.032 13.087 -3.085 1.00 0.00 C ATOM 1535 CG TRP A 95 2.418 12.323 -4.218 1.00 0.00 C ATOM 1536 CD1 TRP A 95 3.077 11.616 -5.183 1.00 0.00 C ATOM 1537 CD2 TRP A 95 1.021 12.191 -4.505 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.174 11.053 -6.053 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.906 11.390 -5.658 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.143 12.671 -3.900 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.326 11.061 -6.216 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.366 12.343 -4.454 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.450 11.544 -5.602 1.00 0.00 C ATOM 0 H TRP A 95 4.362 11.183 -2.088 1.00 0.00 H new ATOM 0 HA TRP A 95 2.659 13.267 -0.976 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.656 14.110 -3.100 1.00 0.00 H new ATOM 0 HB3 TRP A 95 4.110 13.142 -3.235 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.150 11.514 -5.252 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.410 10.478 -6.862 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.088 13.288 -3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.393 10.447 -7.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.272 12.709 -3.994 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.421 11.305 -6.010 1.00 0.00 H new ATOM 1554 N VAL A 96 1.460 10.525 -2.376 1.00 0.00 N ATOM 1555 CA VAL A 96 0.270 9.689 -2.481 1.00 0.00 C ATOM 1556 C VAL A 96 -0.339 9.426 -1.108 1.00 0.00 C ATOM 1557 O VAL A 96 -1.555 9.280 -0.974 1.00 0.00 O ATOM 1558 CB VAL A 96 0.588 8.342 -3.155 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.355 8.561 -4.451 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.370 7.444 -2.209 1.00 0.00 C ATOM 0 H VAL A 96 2.292 10.132 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.447 10.234 -3.096 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.352 7.846 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.571 7.598 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.754 9.164 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.290 9.079 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.586 6.496 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.305 7.932 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.780 7.260 -1.311 1.00 0.00 H new ATOM 1570 N LEU A 97 0.512 9.367 -0.090 1.00 0.00 N ATOM 1571 CA LEU A 97 0.058 9.123 1.274 1.00 0.00 C ATOM 1572 C LEU A 97 -0.563 10.380 1.875 1.00 0.00 C ATOM 1573 O LEU A 97 -1.752 10.406 2.195 1.00 0.00 O ATOM 1574 CB LEU A 97 1.224 8.650 2.144 1.00 0.00 C ATOM 1575 CG LEU A 97 1.683 7.208 1.926 1.00 0.00 C ATOM 1576 CD1 LEU A 97 3.007 6.956 2.631 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.623 6.231 2.413 1.00 0.00 C ATOM 0 H LEU A 97 1.521 9.485 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.703 8.344 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.073 9.311 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.941 8.766 3.190 1.00 0.00 H new ATOM 0 HG LEU A 97 1.829 7.052 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.317 5.924 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.765 7.632 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.889 7.131 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.967 5.210 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.445 6.388 3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.303 6.394 1.862 1.00 0.00 H new ATOM 1589 N LYS A 98 0.249 11.421 2.025 1.00 0.00 N ATOM 1590 CA LYS A 98 -0.220 12.683 2.584 1.00 0.00 C ATOM 1591 C LYS A 98 -1.614 13.022 2.067 1.00 0.00 C ATOM 1592 O LYS A 98 -2.407 13.659 2.762 1.00 0.00 O ATOM 1593 CB LYS A 98 0.753 13.811 2.236 1.00 0.00 C ATOM 1594 CG LYS A 98 2.168 13.569 2.732 1.00 0.00 C ATOM 1595 CD LYS A 98 3.188 14.330 1.902 1.00 0.00 C ATOM 1596 CE LYS A 98 3.374 15.751 2.412 1.00 0.00 C ATOM 1597 NZ LYS A 98 4.344 15.813 3.540 1.00 0.00 N ATOM 0 H LYS A 98 1.236 11.415 1.767 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.270 12.576 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.774 13.941 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.382 14.743 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.246 13.875 3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.390 12.503 2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.143 13.805 1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.866 14.355 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.723 16.386 1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.413 16.149 2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.443 16.798 3.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.999 15.227 4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.268 15.457 3.223 1.00 0.00 H new ATOM 1611 N HIS A 99 -1.908 12.592 0.845 1.00 0.00 N ATOM 1612 CA HIS A 99 -3.209 12.849 0.236 1.00 0.00 C ATOM 1613 C HIS A 99 -3.960 11.544 -0.011 1.00 0.00 C ATOM 1614 O HIS A 99 -4.486 11.316 -1.101 1.00 0.00 O ATOM 1615 CB HIS A 99 -3.038 13.610 -1.079 1.00 0.00 C ATOM 1616 CG HIS A 99 -1.978 14.666 -1.027 1.00 0.00 C ATOM 1617 ND1 HIS A 99 -1.609 15.305 0.138 1.00 0.00 N ATOM 1618 CD2 HIS A 99 -1.206 15.195 -2.005 1.00 0.00 C ATOM 1619 CE1 HIS A 99 -0.657 16.182 -0.126 1.00 0.00 C ATOM 1620 NE2 HIS A 99 -0.393 16.134 -1.419 1.00 0.00 N ATOM 0 H HIS A 99 -1.264 12.064 0.256 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.793 13.458 0.926 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.794 12.901 -1.870 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.988 14.073 -1.347 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.226 14.928 -3.051 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.176 16.828 0.593 1.00 0.00 H new ATOM 0 HE2 HIS A 99 0.302 16.702 -1.904 1.00 0.00 H new ATOM 1629 N SER A 100 -4.006 10.691 1.007 1.00 0.00 N ATOM 1630 CA SER A 100 -4.689 9.408 0.899 1.00 0.00 C ATOM 1631 C SER A 100 -5.806 9.298 1.933 1.00 0.00 C ATOM 1632 O SER A 100 -6.941 8.956 1.603 1.00 0.00 O ATOM 1633 CB SER A 100 -3.695 8.260 1.083 1.00 0.00 C ATOM 1634 OG SER A 100 -3.602 7.877 2.444 1.00 0.00 O ATOM 0 H SER A 100 -3.578 10.866 1.916 1.00 0.00 H new ATOM 0 HA SER A 100 -5.130 9.342 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.007 7.406 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.713 8.564 0.720 1.00 0.00 H new ATOM 0 HG SER A 100 -2.961 7.141 2.534 1.00 0.00 H new ATOM 1640 N GLY A 101 -5.474 9.590 3.187 1.00 0.00 N ATOM 1641 CA GLY A 101 -6.459 9.518 4.251 1.00 0.00 C ATOM 1642 C GLY A 101 -7.532 10.581 4.120 1.00 0.00 C ATOM 1643 O GLY A 101 -7.336 11.617 3.484 1.00 0.00 O ATOM 0 H GLY A 101 -4.541 9.875 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.925 8.533 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.959 9.628 5.213 1.00 0.00 H new ATOM 1647 N PRO A 102 -8.699 10.327 4.731 1.00 0.00 N ATOM 1648 CA PRO A 102 -9.831 11.257 4.693 1.00 0.00 C ATOM 1649 C PRO A 102 -9.569 12.522 5.504 1.00 0.00 C ATOM 1650 O PRO A 102 -10.393 13.435 5.530 1.00 0.00 O ATOM 1651 CB PRO A 102 -10.974 10.451 5.314 1.00 0.00 C ATOM 1652 CG PRO A 102 -10.300 9.450 6.188 1.00 0.00 C ATOM 1653 CD PRO A 102 -9.003 9.112 5.506 1.00 0.00 C ATOM 0 HA PRO A 102 -10.038 11.606 3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.643 11.091 5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.578 9.965 4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.123 9.857 7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.919 8.561 6.313 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.217 8.888 6.227 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.103 8.239 4.861 1.00 0.00 H new ATOM 1661 N ASN A 103 -8.417 12.568 6.164 1.00 0.00 N ATOM 1662 CA ASN A 103 -8.047 13.722 6.976 1.00 0.00 C ATOM 1663 C ASN A 103 -6.606 14.141 6.700 1.00 0.00 C ATOM 1664 O ASN A 103 -5.744 13.303 6.435 1.00 0.00 O ATOM 1665 CB ASN A 103 -8.221 13.403 8.462 1.00 0.00 C ATOM 1666 CG ASN A 103 -7.415 12.193 8.892 1.00 0.00 C ATOM 1667 OD1 ASN A 103 -6.310 12.324 9.420 1.00 0.00 O ATOM 1668 ND2 ASN A 103 -7.965 11.005 8.667 1.00 0.00 N ATOM 0 H ASN A 103 -7.723 11.820 6.153 1.00 0.00 H new ATOM 0 HA ASN A 103 -8.705 14.549 6.709 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -7.918 14.267 9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.276 13.227 8.672 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.469 10.155 8.934 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.883 10.943 8.227 1.00 0.00 H new ATOM 1675 N SER A 104 -6.352 15.445 6.765 1.00 0.00 N ATOM 1676 CA SER A 104 -5.017 15.976 6.520 1.00 0.00 C ATOM 1677 C SER A 104 -3.961 15.150 7.247 1.00 0.00 C ATOM 1678 O SER A 104 -3.844 15.211 8.471 1.00 0.00 O ATOM 1679 CB SER A 104 -4.936 17.437 6.968 1.00 0.00 C ATOM 1680 OG SER A 104 -4.977 17.539 8.381 1.00 0.00 O ATOM 0 H SER A 104 -7.053 16.152 6.985 1.00 0.00 H new ATOM 0 HA SER A 104 -4.822 15.920 5.449 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.015 17.885 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.763 18.000 6.535 1.00 0.00 H new ATOM 0 HG SER A 104 -4.845 16.652 8.777 1.00 0.00 H new ATOM 1686 N ALA A 105 -3.194 14.378 6.484 1.00 0.00 N ATOM 1687 CA ALA A 105 -2.146 13.540 7.055 1.00 0.00 C ATOM 1688 C ALA A 105 -0.788 14.230 6.975 1.00 0.00 C ATOM 1689 O ALA A 105 -0.038 14.036 6.019 1.00 0.00 O ATOM 1690 CB ALA A 105 -2.100 12.196 6.344 1.00 0.00 C ATOM 0 H ALA A 105 -3.278 14.315 5.469 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.379 13.374 8.107 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -1.313 11.580 6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.060 11.692 6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -1.894 12.351 5.285 1.00 0.00 H new ATOM 1696 N SER A 106 -0.479 15.036 7.986 1.00 0.00 N ATOM 1697 CA SER A 106 0.787 15.758 8.028 1.00 0.00 C ATOM 1698 C SER A 106 1.230 15.995 9.468 1.00 0.00 C ATOM 1699 O SER A 106 0.516 16.613 10.256 1.00 0.00 O ATOM 1700 CB SER A 106 0.661 17.095 7.295 1.00 0.00 C ATOM 1701 OG SER A 106 0.128 16.915 5.994 1.00 0.00 O ATOM 0 H SER A 106 -1.088 15.205 8.787 1.00 0.00 H new ATOM 0 HA SER A 106 1.541 15.148 7.530 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.019 17.767 7.865 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.640 17.570 7.228 1.00 0.00 H new ATOM 0 HG SER A 106 0.056 17.784 5.547 1.00 0.00 H new ATOM 1707 N GLY A 107 2.416 15.497 9.806 1.00 0.00 N ATOM 1708 CA GLY A 107 2.935 15.664 11.151 1.00 0.00 C ATOM 1709 C GLY A 107 2.227 14.781 12.159 1.00 0.00 C ATOM 1710 O GLY A 107 1.009 14.843 12.323 1.00 0.00 O ATOM 0 H GLY A 107 3.026 14.981 9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.001 15.435 11.157 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.832 16.707 11.450 1.00 0.00 H new ATOM 1714 N PRO A 108 3.000 13.934 12.855 1.00 0.00 N ATOM 1715 CA PRO A 108 2.461 13.017 13.864 1.00 0.00 C ATOM 1716 C PRO A 108 1.971 13.748 15.109 1.00 0.00 C ATOM 1717 O PRO A 108 1.368 13.146 15.997 1.00 0.00 O ATOM 1718 CB PRO A 108 3.655 12.122 14.204 1.00 0.00 C ATOM 1719 CG PRO A 108 4.852 12.948 13.883 1.00 0.00 C ATOM 1720 CD PRO A 108 4.460 13.806 12.712 1.00 0.00 C ATOM 0 HA PRO A 108 1.593 12.471 13.496 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.645 11.831 15.254 1.00 0.00 H new ATOM 0 HB3 PRO A 108 3.640 11.203 13.618 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.143 13.561 14.736 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.707 12.318 13.637 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.953 14.778 12.743 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.732 13.341 11.764 1.00 0.00 H new ATOM 1728 N SER A 109 2.234 15.050 15.167 1.00 0.00 N ATOM 1729 CA SER A 109 1.823 15.863 16.306 1.00 0.00 C ATOM 1730 C SER A 109 0.366 15.593 16.668 1.00 0.00 C ATOM 1731 O SER A 109 0.055 15.219 17.799 1.00 0.00 O ATOM 1732 CB SER A 109 2.015 17.349 15.995 1.00 0.00 C ATOM 1733 OG SER A 109 3.377 17.722 16.113 1.00 0.00 O ATOM 0 H SER A 109 2.730 15.564 14.439 1.00 0.00 H new ATOM 0 HA SER A 109 2.448 15.593 17.158 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.663 17.561 14.986 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.410 17.948 16.676 1.00 0.00 H new ATOM 0 HG SER A 109 3.474 18.675 15.908 1.00 0.00 H new ATOM 1739 N SER A 110 -0.524 15.784 15.699 1.00 0.00 N ATOM 1740 CA SER A 110 -1.949 15.565 15.916 1.00 0.00 C ATOM 1741 C SER A 110 -2.614 15.023 14.654 1.00 0.00 C ATOM 1742 O SER A 110 -2.067 15.129 13.557 1.00 0.00 O ATOM 1743 CB SER A 110 -2.628 16.868 16.344 1.00 0.00 C ATOM 1744 OG SER A 110 -2.181 17.278 17.625 1.00 0.00 O ATOM 0 H SER A 110 -0.283 16.090 14.756 1.00 0.00 H new ATOM 0 HA SER A 110 -2.061 14.827 16.711 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.416 17.649 15.614 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.709 16.731 16.359 1.00 0.00 H new ATOM 0 HG SER A 110 -2.628 18.113 17.875 1.00 0.00 H new ATOM 1750 N GLY A 111 -3.798 14.442 14.819 1.00 0.00 N ATOM 1751 CA GLY A 111 -4.519 13.892 13.686 1.00 0.00 C ATOM 1752 C GLY A 111 -5.989 14.261 13.698 1.00 0.00 C ATOM 1753 O GLY A 111 -6.765 13.720 14.485 1.00 0.00 O ATOM 0 H GLY A 111 -4.271 14.342 15.717 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -4.065 14.251 12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.420 12.806 13.689 1.00 0.00 H new TER 1757 GLY A 111