USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc= -2.59 K(o=-2.9,f=-3.6!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -0.314 X(o=-2.9,f=-2.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= -0.506 (180deg=-2.36!) USER MOD Single : A 3 HIS : no HD1:sc= -0.423 K(o=-0.42,f=-0.93) USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= -0.0299 (180deg=-0.494) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-2.7!) USER MOD Single : A 10 GLN : amide:sc=-0.00781 K(o=-0.0078,f=-1.7!) USER MOD Single : A 12 MET CE :methyl 140:sc= -0.502 (180deg=-1.86) USER MOD Single : A 14 THR OG1 : rot 94:sc= 0.878 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -18:sc= 0.716 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0849 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -160:sc= -0.0497 (180deg=-0.556) USER MOD Single : A 39 ASN : amide:sc= -1.36! K(o=-1.4!,f=-2.1) USER MOD Single : A 42 SER OG : rot -4:sc= 0.977 USER MOD Single : A 47 ASN : amide:sc= -0.0394 K(o=-0.039,f=-2!) USER MOD Single : A 50 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=-0.087) USER MOD Single : A 54 SER OG : rot -74:sc= 1.26 USER MOD Single : A 55 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.13) USER MOD Single : A 56 MET CE :methyl -168:sc= 0 (180deg=-0.201) USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= -0.0831 (180deg=-0.635) USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= -0.0184 (180deg=-0.378) USER MOD Single : A 64 THR OG1 : rot 180:sc= -3.95! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= -0.0755 (180deg=-0.681) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.6!) USER MOD Single : A 88 HIS : no HD1:sc= -0.451 K(o=-0.45,f=-1.4) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 91 HIS : no HD1:sc=-0.00353 X(o=-0.0035,f=-0.0035) USER MOD Single : A 92 HIS : no HD1:sc=-0.00518 X(o=-0.0052,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.665 -12.710 18.578 1.00 0.00 N ATOM 2 CA MET A 1 -0.950 -12.885 17.283 1.00 0.00 C ATOM 3 C MET A 1 -1.969 -12.899 16.133 1.00 0.00 C ATOM 4 O MET A 1 -2.250 -13.935 15.566 1.00 0.00 O ATOM 5 CB MET A 1 -0.181 -14.210 17.313 1.00 0.00 C ATOM 6 CG MET A 1 0.854 -14.169 18.442 1.00 0.00 C ATOM 7 SD MET A 1 1.869 -15.667 18.394 1.00 0.00 S ATOM 8 CE MET A 1 2.995 -15.214 19.738 1.00 0.00 C ATOM 0 H1 MET A 1 -1.149 -12.028 19.170 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.626 -12.355 18.399 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.720 -13.624 19.070 1.00 0.00 H new ATOM 0 HA MET A 1 -0.252 -12.062 17.130 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.870 -15.040 17.466 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.314 -14.378 16.356 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.486 -13.287 18.338 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.352 -14.089 19.406 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.723 -16.011 19.887 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.515 -14.291 19.482 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.426 -15.067 20.656 1.00 0.00 H new ATOM 20 N PRO A 2 -2.520 -11.755 15.789 1.00 0.00 N ATOM 21 CA PRO A 2 -3.527 -11.649 14.686 1.00 0.00 C ATOM 22 C PRO A 2 -2.949 -12.088 13.327 1.00 0.00 C ATOM 23 O PRO A 2 -1.785 -11.889 13.044 1.00 0.00 O ATOM 24 CB PRO A 2 -3.917 -10.142 14.672 1.00 0.00 C ATOM 25 CG PRO A 2 -3.481 -9.613 16.010 1.00 0.00 C ATOM 26 CD PRO A 2 -2.255 -10.441 16.410 1.00 0.00 C ATOM 0 HA PRO A 2 -4.381 -12.305 14.851 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -3.420 -9.614 13.858 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.990 -10.014 14.528 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.234 -8.553 15.949 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.277 -9.713 16.748 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.331 -9.998 16.038 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.157 -10.519 17.493 1.00 0.00 H new ATOM 34 N HIS A 3 -3.764 -12.677 12.484 1.00 0.00 N ATOM 35 CA HIS A 3 -3.279 -13.120 11.138 1.00 0.00 C ATOM 36 C HIS A 3 -4.474 -13.229 10.188 1.00 0.00 C ATOM 37 O HIS A 3 -4.339 -13.626 9.049 1.00 0.00 O ATOM 38 CB HIS A 3 -2.591 -14.484 11.254 1.00 0.00 C ATOM 39 CG HIS A 3 -1.943 -14.838 9.939 1.00 0.00 C ATOM 40 ND1 HIS A 3 -2.505 -15.748 9.056 1.00 0.00 N ATOM 41 CD2 HIS A 3 -0.786 -14.402 9.342 1.00 0.00 C ATOM 42 CE1 HIS A 3 -1.691 -15.830 7.986 1.00 0.00 C ATOM 43 NE2 HIS A 3 -0.629 -15.030 8.110 1.00 0.00 N ATOM 0 H HIS A 3 -4.748 -12.871 12.671 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.564 -12.394 10.752 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.841 -14.458 12.045 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.319 -15.247 11.529 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.102 -13.681 9.764 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.875 -16.465 7.132 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.134 -14.906 7.444 1.00 0.00 H new ATOM 51 N LYS A 4 -5.642 -12.875 10.654 1.00 0.00 N ATOM 52 CA LYS A 4 -6.862 -12.947 9.794 1.00 0.00 C ATOM 53 C LYS A 4 -6.970 -14.332 9.147 1.00 0.00 C ATOM 54 O LYS A 4 -6.355 -14.610 8.136 1.00 0.00 O ATOM 55 CB LYS A 4 -6.783 -11.872 8.708 1.00 0.00 C ATOM 56 CG LYS A 4 -6.870 -10.488 9.356 1.00 0.00 C ATOM 57 CD LYS A 4 -6.822 -9.413 8.271 1.00 0.00 C ATOM 58 CE LYS A 4 -6.956 -8.033 8.914 1.00 0.00 C ATOM 59 NZ LYS A 4 -5.798 -7.792 9.819 1.00 0.00 N ATOM 0 H LYS A 4 -5.806 -12.536 11.602 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.745 -12.778 10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.850 -11.968 8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.595 -12.002 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.793 -10.400 9.929 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.046 -10.350 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.884 -9.479 7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.626 -9.571 7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.995 -7.263 8.143 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.889 -7.970 9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.696 -6.771 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.958 -8.279 10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.930 -8.158 9.377 1.00 0.00 H new ATOM 73 N GLU A 5 -7.751 -15.204 9.726 1.00 0.00 N ATOM 74 CA GLU A 5 -7.904 -16.568 9.152 1.00 0.00 C ATOM 75 C GLU A 5 -8.599 -16.481 7.794 1.00 0.00 C ATOM 76 O GLU A 5 -8.283 -17.211 6.876 1.00 0.00 O ATOM 77 CB GLU A 5 -8.739 -17.423 10.109 1.00 0.00 C ATOM 78 CG GLU A 5 -10.130 -16.795 10.290 1.00 0.00 C ATOM 79 CD GLU A 5 -10.874 -17.508 11.419 1.00 0.00 C ATOM 80 OE1 GLU A 5 -10.656 -18.696 11.589 1.00 0.00 O ATOM 81 OE2 GLU A 5 -11.653 -16.854 12.092 1.00 0.00 O ATOM 0 H GLU A 5 -8.290 -15.028 10.574 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.922 -17.022 9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.835 -18.435 9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.237 -17.501 11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.034 -15.734 10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.698 -16.871 9.363 1.00 0.00 H new ATOM 88 N LYS A 6 -9.550 -15.588 7.658 1.00 0.00 N ATOM 89 CA LYS A 6 -10.283 -15.439 6.359 1.00 0.00 C ATOM 90 C LYS A 6 -9.579 -14.383 5.500 1.00 0.00 C ATOM 91 O LYS A 6 -9.058 -13.408 6.002 1.00 0.00 O ATOM 92 CB LYS A 6 -11.730 -15.004 6.649 1.00 0.00 C ATOM 93 CG LYS A 6 -11.737 -13.843 7.654 1.00 0.00 C ATOM 94 CD LYS A 6 -13.150 -13.241 7.766 1.00 0.00 C ATOM 95 CE LYS A 6 -14.139 -14.271 8.345 1.00 0.00 C ATOM 96 NZ LYS A 6 -15.365 -13.565 8.807 1.00 0.00 N ATOM 0 H LYS A 6 -9.852 -14.952 8.396 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.292 -16.387 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.219 -14.698 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.298 -15.844 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.407 -14.197 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.031 -13.075 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.124 -12.357 8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.491 -12.916 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.395 -15.013 7.588 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.679 -14.808 9.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.036 -14.256 9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.111 -12.873 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.805 -13.072 8.004 1.00 0.00 H new ATOM 110 N HIS A 7 -9.548 -14.578 4.203 1.00 0.00 N ATOM 111 CA HIS A 7 -8.868 -13.592 3.309 1.00 0.00 C ATOM 112 C HIS A 7 -7.432 -13.342 3.830 1.00 0.00 C ATOM 113 O HIS A 7 -7.221 -12.451 4.627 1.00 0.00 O ATOM 114 CB HIS A 7 -9.668 -12.271 3.315 1.00 0.00 C ATOM 115 CG HIS A 7 -9.242 -11.411 2.152 1.00 0.00 C ATOM 116 ND1 HIS A 7 -8.153 -11.739 1.362 1.00 0.00 N ATOM 117 CD2 HIS A 7 -9.751 -10.248 1.624 1.00 0.00 C ATOM 118 CE1 HIS A 7 -8.042 -10.797 0.410 1.00 0.00 C ATOM 119 NE2 HIS A 7 -8.990 -9.864 0.522 1.00 0.00 N ATOM 0 H HIS A 7 -9.965 -15.378 3.726 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.819 -13.979 2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.736 -12.481 3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.503 -11.739 4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.609 -9.714 2.005 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.278 -10.795 -0.353 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.128 -9.046 -0.072 1.00 0.00 H new ATOM 127 N PRO A 8 -6.454 -14.113 3.402 1.00 0.00 N ATOM 128 CA PRO A 8 -5.044 -13.935 3.878 1.00 0.00 C ATOM 129 C PRO A 8 -4.537 -12.497 3.665 1.00 0.00 C ATOM 130 O PRO A 8 -4.899 -11.835 2.714 1.00 0.00 O ATOM 131 CB PRO A 8 -4.230 -14.946 3.030 1.00 0.00 C ATOM 132 CG PRO A 8 -5.231 -15.972 2.578 1.00 0.00 C ATOM 133 CD PRO A 8 -6.569 -15.228 2.437 1.00 0.00 C ATOM 0 HA PRO A 8 -4.952 -14.109 4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.756 -14.456 2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.434 -15.404 3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.931 -16.418 1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.311 -16.784 3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.719 -14.864 1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.414 -15.875 2.672 1.00 0.00 H new ATOM 141 N LEU A 9 -3.701 -12.014 4.552 1.00 0.00 N ATOM 142 CA LEU A 9 -3.166 -10.627 4.410 1.00 0.00 C ATOM 143 C LEU A 9 -2.359 -10.535 3.112 1.00 0.00 C ATOM 144 O LEU A 9 -2.440 -9.569 2.382 1.00 0.00 O ATOM 145 CB LEU A 9 -2.262 -10.317 5.612 1.00 0.00 C ATOM 146 CG LEU A 9 -1.689 -8.889 5.530 1.00 0.00 C ATOM 147 CD1 LEU A 9 -2.826 -7.837 5.544 1.00 0.00 C ATOM 148 CD2 LEU A 9 -0.767 -8.676 6.737 1.00 0.00 C ATOM 0 H LEU A 9 -3.366 -12.523 5.370 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.984 -9.907 4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.830 -10.430 6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.445 -11.037 5.650 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.135 -8.770 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.397 -6.837 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.484 -8.001 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.399 -7.933 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.348 -7.670 6.702 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.338 -8.799 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.041 -9.407 6.711 1.00 0.00 H new ATOM 160 N GLN A 10 -1.574 -11.536 2.822 1.00 0.00 N ATOM 161 CA GLN A 10 -0.756 -11.511 1.576 1.00 0.00 C ATOM 162 C GLN A 10 -1.687 -11.395 0.369 1.00 0.00 C ATOM 163 O GLN A 10 -1.399 -10.695 -0.582 1.00 0.00 O ATOM 164 CB GLN A 10 0.063 -12.798 1.482 1.00 0.00 C ATOM 165 CG GLN A 10 1.015 -12.715 0.288 1.00 0.00 C ATOM 166 CD GLN A 10 1.920 -13.947 0.271 1.00 0.00 C ATOM 167 OE1 GLN A 10 2.036 -14.639 1.261 1.00 0.00 O ATOM 168 NE2 GLN A 10 2.574 -14.247 -0.817 1.00 0.00 N ATOM 0 H GLN A 10 -1.463 -12.372 3.395 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.078 -10.658 1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.629 -12.949 2.401 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.600 -13.656 1.372 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.447 -12.655 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.617 -11.809 0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.475 -13.664 -1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.184 -15.064 -0.836 1.00 0.00 H new ATOM 177 N ASP A 11 -2.801 -12.081 0.391 1.00 0.00 N ATOM 178 CA ASP A 11 -3.739 -12.016 -0.766 1.00 0.00 C ATOM 179 C ASP A 11 -4.272 -10.574 -0.890 1.00 0.00 C ATOM 180 O ASP A 11 -4.465 -10.077 -1.984 1.00 0.00 O ATOM 181 CB ASP A 11 -4.913 -12.990 -0.508 1.00 0.00 C ATOM 182 CG ASP A 11 -4.525 -14.408 -0.959 1.00 0.00 C ATOM 183 OD1 ASP A 11 -3.335 -14.679 -1.017 1.00 0.00 O ATOM 184 OD2 ASP A 11 -5.416 -15.192 -1.230 1.00 0.00 O ATOM 0 H ASP A 11 -3.100 -12.682 1.159 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.231 -12.296 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.168 -12.993 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.799 -12.657 -1.048 1.00 0.00 H new ATOM 189 N MET A 12 -4.512 -9.911 0.211 1.00 0.00 N ATOM 190 CA MET A 12 -5.034 -8.515 0.144 1.00 0.00 C ATOM 191 C MET A 12 -4.027 -7.618 -0.580 1.00 0.00 C ATOM 192 O MET A 12 -4.380 -6.872 -1.474 1.00 0.00 O ATOM 193 CB MET A 12 -5.243 -8.000 1.576 1.00 0.00 C ATOM 194 CG MET A 12 -6.374 -8.788 2.243 1.00 0.00 C ATOM 195 SD MET A 12 -6.460 -8.356 4.001 1.00 0.00 S ATOM 196 CE MET A 12 -6.891 -6.608 3.811 1.00 0.00 C ATOM 0 H MET A 12 -4.369 -10.276 1.153 1.00 0.00 H new ATOM 0 HA MET A 12 -5.977 -8.499 -0.402 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.323 -8.108 2.150 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.486 -6.938 1.560 1.00 0.00 H new ATOM 0 HG2 MET A 12 -7.323 -8.564 1.756 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.202 -9.858 2.129 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.630 -6.332 4.563 1.00 0.00 H new ATOM 0 HE2 MET A 12 -5.997 -5.997 3.939 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.305 -6.441 2.817 1.00 0.00 H new ATOM 206 N PHE A 13 -2.774 -7.690 -0.212 1.00 0.00 N ATOM 207 CA PHE A 13 -1.747 -6.847 -0.891 1.00 0.00 C ATOM 208 C PHE A 13 -1.546 -7.329 -2.334 1.00 0.00 C ATOM 209 O PHE A 13 -1.415 -6.539 -3.246 1.00 0.00 O ATOM 210 CB PHE A 13 -0.410 -6.941 -0.131 1.00 0.00 C ATOM 211 CG PHE A 13 -0.486 -6.135 1.154 1.00 0.00 C ATOM 212 CD1 PHE A 13 -0.559 -4.739 1.081 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.476 -6.767 2.407 1.00 0.00 C ATOM 214 CE1 PHE A 13 -0.623 -3.975 2.251 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.536 -6.000 3.576 1.00 0.00 C ATOM 216 CZ PHE A 13 -0.609 -4.607 3.497 1.00 0.00 C ATOM 0 H PHE A 13 -2.419 -8.295 0.528 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.089 -5.812 -0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.184 -7.983 0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.401 -6.568 -0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.566 -4.250 0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.422 -7.844 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.683 -2.898 2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.526 -6.486 4.541 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.655 -4.018 4.401 1.00 0.00 H new ATOM 226 N THR A 14 -1.499 -8.616 -2.547 1.00 0.00 N ATOM 227 CA THR A 14 -1.280 -9.136 -3.926 1.00 0.00 C ATOM 228 C THR A 14 -2.436 -8.711 -4.836 1.00 0.00 C ATOM 229 O THR A 14 -2.232 -8.184 -5.912 1.00 0.00 O ATOM 230 CB THR A 14 -1.210 -10.669 -3.869 1.00 0.00 C ATOM 231 OG1 THR A 14 -0.306 -11.057 -2.846 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.731 -11.223 -5.213 1.00 0.00 C ATOM 0 H THR A 14 -1.603 -9.329 -1.825 1.00 0.00 H new ATOM 0 HA THR A 14 -0.350 -8.732 -4.326 1.00 0.00 H new ATOM 0 HB THR A 14 -2.202 -11.067 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.800 -11.209 -2.013 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.685 -12.311 -5.162 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.426 -10.926 -5.998 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.260 -10.828 -5.437 1.00 0.00 H new ATOM 240 N SER A 15 -3.647 -8.937 -4.411 1.00 0.00 N ATOM 241 CA SER A 15 -4.816 -8.550 -5.245 1.00 0.00 C ATOM 242 C SER A 15 -4.896 -7.023 -5.372 1.00 0.00 C ATOM 243 O SER A 15 -5.176 -6.499 -6.432 1.00 0.00 O ATOM 244 CB SER A 15 -6.101 -9.079 -4.601 1.00 0.00 C ATOM 245 OG SER A 15 -7.223 -8.435 -5.190 1.00 0.00 O ATOM 0 H SER A 15 -3.877 -9.375 -3.519 1.00 0.00 H new ATOM 0 HA SER A 15 -4.700 -8.981 -6.239 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.173 -10.158 -4.739 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.085 -8.896 -3.527 1.00 0.00 H new ATOM 0 HG SER A 15 -8.047 -8.773 -4.780 1.00 0.00 H new ATOM 251 N ALA A 16 -4.679 -6.305 -4.297 1.00 0.00 N ATOM 252 CA ALA A 16 -4.773 -4.814 -4.354 1.00 0.00 C ATOM 253 C ALA A 16 -3.637 -4.210 -5.189 1.00 0.00 C ATOM 254 O ALA A 16 -3.863 -3.370 -6.031 1.00 0.00 O ATOM 255 CB ALA A 16 -4.700 -4.257 -2.932 1.00 0.00 C ATOM 0 H ALA A 16 -4.441 -6.688 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.719 -4.548 -4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.768 -3.170 -2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.526 -4.655 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.754 -4.549 -2.475 1.00 0.00 H new ATOM 261 N ILE A 17 -2.415 -4.614 -4.956 1.00 0.00 N ATOM 262 CA ILE A 17 -1.278 -4.031 -5.729 1.00 0.00 C ATOM 263 C ILE A 17 -1.442 -4.366 -7.215 1.00 0.00 C ATOM 264 O ILE A 17 -1.272 -3.522 -8.071 1.00 0.00 O ATOM 265 CB ILE A 17 0.036 -4.630 -5.186 1.00 0.00 C ATOM 266 CG1 ILE A 17 0.250 -4.146 -3.735 1.00 0.00 C ATOM 267 CG2 ILE A 17 1.230 -4.179 -6.050 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.351 -4.979 -3.070 1.00 0.00 C ATOM 0 H ILE A 17 -2.156 -5.320 -4.267 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.260 -2.947 -5.620 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.031 -5.718 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.525 -3.091 -3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.678 -4.236 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.149 -4.610 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.084 -4.516 -7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.302 -3.092 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.499 -4.635 -2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.058 -6.029 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.280 -4.867 -3.629 1.00 0.00 H new ATOM 280 N GLU A 18 -1.779 -5.586 -7.528 1.00 0.00 N ATOM 281 CA GLU A 18 -1.951 -5.971 -8.960 1.00 0.00 C ATOM 282 C GLU A 18 -3.159 -5.223 -9.551 1.00 0.00 C ATOM 283 O GLU A 18 -3.195 -4.932 -10.732 1.00 0.00 O ATOM 284 CB GLU A 18 -2.161 -7.501 -9.060 1.00 0.00 C ATOM 285 CG GLU A 18 -0.809 -8.239 -8.978 1.00 0.00 C ATOM 286 CD GLU A 18 -0.149 -7.984 -7.618 1.00 0.00 C ATOM 287 OE1 GLU A 18 0.309 -6.873 -7.405 1.00 0.00 O ATOM 288 OE2 GLU A 18 -0.103 -8.906 -6.821 1.00 0.00 O ATOM 0 H GLU A 18 -1.943 -6.335 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.059 -5.700 -9.525 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.815 -7.837 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.659 -7.745 -9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.961 -9.309 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.152 -7.900 -9.779 1.00 0.00 H new ATOM 295 N ALA A 19 -4.146 -4.916 -8.748 1.00 0.00 N ATOM 296 CA ALA A 19 -5.347 -4.194 -9.274 1.00 0.00 C ATOM 297 C ALA A 19 -4.964 -2.793 -9.771 1.00 0.00 C ATOM 298 O ALA A 19 -5.337 -2.399 -10.858 1.00 0.00 O ATOM 299 CB ALA A 19 -6.394 -4.062 -8.163 1.00 0.00 C ATOM 0 H ALA A 19 -4.173 -5.133 -7.752 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.755 -4.766 -10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.268 -3.536 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.689 -5.054 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.971 -3.502 -7.329 1.00 0.00 H new ATOM 305 N VAL A 20 -4.227 -2.034 -8.981 1.00 0.00 N ATOM 306 CA VAL A 20 -3.820 -0.642 -9.396 1.00 0.00 C ATOM 307 C VAL A 20 -2.339 -0.629 -9.791 1.00 0.00 C ATOM 308 O VAL A 20 -1.713 0.414 -9.840 1.00 0.00 O ATOM 309 CB VAL A 20 -4.048 0.333 -8.225 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.552 0.509 -7.992 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.400 -0.215 -6.945 1.00 0.00 C ATOM 0 H VAL A 20 -3.889 -2.321 -8.062 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.422 -0.333 -10.250 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.596 1.293 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.714 1.199 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.015 0.910 -8.894 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.999 -0.456 -7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.568 0.483 -6.125 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.843 -1.180 -6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.329 -0.338 -7.103 1.00 0.00 H new ATOM 321 N ALA A 21 -1.770 -1.772 -10.067 1.00 0.00 N ATOM 322 CA ALA A 21 -0.330 -1.824 -10.452 1.00 0.00 C ATOM 323 C ALA A 21 -0.113 -1.002 -11.723 1.00 0.00 C ATOM 324 O ALA A 21 0.882 -0.322 -11.864 1.00 0.00 O ATOM 325 CB ALA A 21 0.066 -3.294 -10.697 1.00 0.00 C ATOM 0 H ALA A 21 -2.243 -2.675 -10.042 1.00 0.00 H new ATOM 0 HA ALA A 21 0.287 -1.409 -9.655 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.118 -3.345 -10.979 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.094 -3.871 -9.786 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.546 -3.707 -11.499 1.00 0.00 H new ATOM 331 N ARG A 22 -1.033 -1.056 -12.644 1.00 0.00 N ATOM 332 CA ARG A 22 -0.884 -0.270 -13.899 1.00 0.00 C ATOM 333 C ARG A 22 0.482 -0.520 -14.536 1.00 0.00 C ATOM 334 O ARG A 22 1.336 0.349 -14.531 1.00 0.00 O ATOM 335 CB ARG A 22 -1.003 1.217 -13.572 1.00 0.00 C ATOM 336 CG ARG A 22 -2.442 1.539 -13.152 1.00 0.00 C ATOM 337 CD ARG A 22 -2.560 3.022 -12.741 1.00 0.00 C ATOM 338 NE ARG A 22 -2.473 3.204 -11.232 1.00 0.00 N ATOM 339 CZ ARG A 22 -2.093 4.383 -10.777 1.00 0.00 C ATOM 340 NH1 ARG A 22 -1.234 5.065 -11.483 1.00 0.00 N ATOM 341 NH2 ARG A 22 -2.494 4.835 -9.598 1.00 0.00 N ATOM 0 H ARG A 22 -1.885 -1.613 -12.581 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.664 -0.577 -14.596 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.312 1.480 -12.771 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.725 1.814 -14.441 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.124 1.327 -13.975 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.737 0.899 -12.320 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.768 3.596 -13.222 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.507 3.424 -13.101 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.701 2.441 -10.595 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.876 4.683 -12.359 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.920 5.980 -11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.112 4.268 -9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.185 5.750 -9.271 1.00 0.00 H new ATOM 355 N ASP A 23 0.692 -1.675 -15.099 1.00 0.00 N ATOM 356 CA ASP A 23 1.995 -1.947 -15.762 1.00 0.00 C ATOM 357 C ASP A 23 3.155 -1.626 -14.805 1.00 0.00 C ATOM 358 O ASP A 23 4.183 -1.134 -15.218 1.00 0.00 O ATOM 359 CB ASP A 23 2.105 -1.072 -17.022 1.00 0.00 C ATOM 360 CG ASP A 23 1.094 -1.539 -18.075 1.00 0.00 C ATOM 361 OD1 ASP A 23 0.557 -2.623 -17.920 1.00 0.00 O ATOM 362 OD2 ASP A 23 0.872 -0.796 -19.018 1.00 0.00 O ATOM 0 H ASP A 23 0.019 -2.441 -15.129 1.00 0.00 H new ATOM 0 HA ASP A 23 2.050 -3.001 -16.035 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.921 -0.028 -16.767 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.116 -1.128 -17.426 1.00 0.00 H new ATOM 367 N SER A 24 2.998 -1.896 -13.533 1.00 0.00 N ATOM 368 CA SER A 24 4.101 -1.607 -12.559 1.00 0.00 C ATOM 369 C SER A 24 3.844 -2.393 -11.276 1.00 0.00 C ATOM 370 O SER A 24 2.822 -2.243 -10.643 1.00 0.00 O ATOM 371 CB SER A 24 4.150 -0.112 -12.239 1.00 0.00 C ATOM 372 OG SER A 24 4.332 0.623 -13.441 1.00 0.00 O ATOM 0 H SER A 24 2.156 -2.303 -13.125 1.00 0.00 H new ATOM 0 HA SER A 24 5.055 -1.902 -12.997 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.227 0.196 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.965 0.096 -11.546 1.00 0.00 H new ATOM 0 HG SER A 24 4.669 0.026 -14.141 1.00 0.00 H new ATOM 378 N GLY A 25 4.761 -3.239 -10.886 1.00 0.00 N ATOM 379 CA GLY A 25 4.550 -4.043 -9.650 1.00 0.00 C ATOM 380 C GLY A 25 4.485 -3.119 -8.436 1.00 0.00 C ATOM 381 O GLY A 25 4.323 -3.565 -7.319 1.00 0.00 O ATOM 0 H GLY A 25 5.644 -3.407 -11.369 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.627 -4.617 -9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.361 -4.761 -9.529 1.00 0.00 H new ATOM 385 N TRP A 26 4.603 -1.830 -8.649 1.00 0.00 N ATOM 386 CA TRP A 26 4.541 -0.849 -7.520 1.00 0.00 C ATOM 387 C TRP A 26 3.141 -0.239 -7.469 1.00 0.00 C ATOM 388 O TRP A 26 2.504 -0.043 -8.484 1.00 0.00 O ATOM 389 CB TRP A 26 5.563 0.264 -7.768 1.00 0.00 C ATOM 390 CG TRP A 26 6.945 -0.299 -7.669 1.00 0.00 C ATOM 391 CD1 TRP A 26 7.771 -0.546 -8.713 1.00 0.00 C ATOM 392 CD2 TRP A 26 7.668 -0.696 -6.471 1.00 0.00 C ATOM 393 NE1 TRP A 26 8.959 -1.064 -8.226 1.00 0.00 N ATOM 394 CE2 TRP A 26 8.941 -1.178 -6.850 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.339 -0.687 -5.105 1.00 0.00 C ATOM 396 CZ2 TRP A 26 9.864 -1.626 -5.902 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.261 -1.138 -4.151 1.00 0.00 C ATOM 398 CH2 TRP A 26 9.520 -1.611 -4.547 1.00 0.00 C ATOM 0 H TRP A 26 4.741 -1.411 -9.569 1.00 0.00 H new ATOM 0 HA TRP A 26 4.762 -1.351 -6.578 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.407 0.703 -8.753 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.431 1.063 -7.039 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.541 -0.368 -9.753 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.751 -1.329 -8.812 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.370 -0.330 -4.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.835 -1.981 -6.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.000 -1.121 -3.103 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.223 -1.963 -3.807 1.00 0.00 H new ATOM 409 N ALA A 27 2.655 0.063 -6.290 1.00 0.00 N ATOM 410 CA ALA A 27 1.290 0.668 -6.147 1.00 0.00 C ATOM 411 C ALA A 27 1.318 1.675 -4.996 1.00 0.00 C ATOM 412 O ALA A 27 1.991 1.480 -4.002 1.00 0.00 O ATOM 413 CB ALA A 27 0.272 -0.436 -5.838 1.00 0.00 C ATOM 0 H ALA A 27 3.150 -0.085 -5.410 1.00 0.00 H new ATOM 0 HA ALA A 27 1.005 1.169 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.720 0.003 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.264 -1.162 -6.651 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.547 -0.935 -4.909 1.00 0.00 H new ATOM 419 N GLU A 28 0.600 2.758 -5.120 1.00 0.00 N ATOM 420 CA GLU A 28 0.594 3.778 -4.031 1.00 0.00 C ATOM 421 C GLU A 28 -0.120 3.204 -2.800 1.00 0.00 C ATOM 422 O GLU A 28 -1.185 2.634 -2.908 1.00 0.00 O ATOM 423 CB GLU A 28 -0.138 5.037 -4.515 1.00 0.00 C ATOM 424 CG GLU A 28 0.642 5.694 -5.665 1.00 0.00 C ATOM 425 CD GLU A 28 0.546 4.827 -6.927 1.00 0.00 C ATOM 426 OE1 GLU A 28 -0.419 4.091 -7.046 1.00 0.00 O ATOM 427 OE2 GLU A 28 1.442 4.913 -7.750 1.00 0.00 O ATOM 0 H GLU A 28 0.018 2.981 -5.927 1.00 0.00 H new ATOM 0 HA GLU A 28 1.619 4.037 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.143 4.777 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.248 5.742 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.242 6.688 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.686 5.822 -5.380 1.00 0.00 H new ATOM 434 N LEU A 29 0.463 3.337 -1.631 1.00 0.00 N ATOM 435 CA LEU A 29 -0.174 2.781 -0.397 1.00 0.00 C ATOM 436 C LEU A 29 -1.591 3.339 -0.265 1.00 0.00 C ATOM 437 O LEU A 29 -2.514 2.634 0.094 1.00 0.00 O ATOM 438 CB LEU A 29 0.662 3.204 0.821 1.00 0.00 C ATOM 439 CG LEU A 29 0.061 2.673 2.137 1.00 0.00 C ATOM 440 CD1 LEU A 29 -0.007 1.129 2.124 1.00 0.00 C ATOM 441 CD2 LEU A 29 0.956 3.147 3.289 1.00 0.00 C ATOM 0 H LEU A 29 1.355 3.808 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.220 1.694 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.681 2.832 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.722 4.292 0.861 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.954 3.050 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.434 0.776 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.632 0.799 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.997 0.722 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.554 2.785 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.964 2.757 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.987 4.236 3.301 1.00 0.00 H new ATOM 453 N SER A 30 -1.774 4.599 -0.555 1.00 0.00 N ATOM 454 CA SER A 30 -3.135 5.190 -0.448 1.00 0.00 C ATOM 455 C SER A 30 -4.087 4.414 -1.365 1.00 0.00 C ATOM 456 O SER A 30 -5.193 4.087 -0.989 1.00 0.00 O ATOM 457 CB SER A 30 -3.093 6.659 -0.880 1.00 0.00 C ATOM 458 OG SER A 30 -2.623 6.740 -2.219 1.00 0.00 O ATOM 0 H SER A 30 -1.042 5.241 -0.860 1.00 0.00 H new ATOM 0 HA SER A 30 -3.483 5.130 0.583 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.086 7.101 -0.803 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.439 7.227 -0.218 1.00 0.00 H new ATOM 0 HG SER A 30 -2.596 7.678 -2.500 1.00 0.00 H new ATOM 464 N ALA A 31 -3.659 4.113 -2.565 1.00 0.00 N ATOM 465 CA ALA A 31 -4.538 3.355 -3.501 1.00 0.00 C ATOM 466 C ALA A 31 -4.816 1.956 -2.935 1.00 0.00 C ATOM 467 O ALA A 31 -5.903 1.432 -3.068 1.00 0.00 O ATOM 468 CB ALA A 31 -3.849 3.226 -4.863 1.00 0.00 C ATOM 0 H ALA A 31 -2.741 4.359 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.480 3.890 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.493 2.672 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.658 4.219 -5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.904 2.695 -4.744 1.00 0.00 H new ATOM 474 N VAL A 32 -3.842 1.347 -2.312 1.00 0.00 N ATOM 475 CA VAL A 32 -4.059 -0.018 -1.751 1.00 0.00 C ATOM 476 C VAL A 32 -5.155 0.036 -0.682 1.00 0.00 C ATOM 477 O VAL A 32 -6.081 -0.752 -0.685 1.00 0.00 O ATOM 478 CB VAL A 32 -2.745 -0.507 -1.126 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.950 -1.865 -0.439 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.691 -0.645 -2.230 1.00 0.00 C ATOM 0 H VAL A 32 -2.909 1.734 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.369 -0.702 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.413 0.214 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.009 -2.197 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.700 -1.766 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.287 -2.597 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.753 -0.992 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.035 -1.364 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.534 0.323 -2.706 1.00 0.00 H new ATOM 490 N GLY A 33 -5.049 0.954 0.239 1.00 0.00 N ATOM 491 CA GLY A 33 -6.074 1.052 1.313 1.00 0.00 C ATOM 492 C GLY A 33 -7.441 1.365 0.704 1.00 0.00 C ATOM 493 O GLY A 33 -8.442 0.787 1.078 1.00 0.00 O ATOM 0 H GLY A 33 -4.296 1.640 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.120 0.116 1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.796 1.831 2.023 1.00 0.00 H new ATOM 497 N SER A 34 -7.500 2.279 -0.230 1.00 0.00 N ATOM 498 CA SER A 34 -8.812 2.621 -0.850 1.00 0.00 C ATOM 499 C SER A 34 -9.383 1.397 -1.572 1.00 0.00 C ATOM 500 O SER A 34 -10.553 1.090 -1.458 1.00 0.00 O ATOM 501 CB SER A 34 -8.622 3.757 -1.858 1.00 0.00 C ATOM 502 OG SER A 34 -9.882 4.096 -2.421 1.00 0.00 O ATOM 0 H SER A 34 -6.700 2.800 -0.588 1.00 0.00 H new ATOM 0 HA SER A 34 -9.503 2.935 -0.068 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.184 4.626 -1.367 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.930 3.451 -2.643 1.00 0.00 H new ATOM 0 HG SER A 34 -9.767 4.824 -3.066 1.00 0.00 H new ATOM 508 N TYR A 35 -8.569 0.705 -2.325 1.00 0.00 N ATOM 509 CA TYR A 35 -9.066 -0.491 -3.066 1.00 0.00 C ATOM 510 C TYR A 35 -9.586 -1.529 -2.070 1.00 0.00 C ATOM 511 O TYR A 35 -10.671 -2.057 -2.216 1.00 0.00 O ATOM 512 CB TYR A 35 -7.913 -1.091 -3.880 1.00 0.00 C ATOM 513 CG TYR A 35 -8.390 -2.329 -4.614 1.00 0.00 C ATOM 514 CD1 TYR A 35 -9.057 -2.194 -5.838 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.165 -3.605 -4.078 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.498 -3.330 -6.525 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.605 -4.742 -4.766 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.272 -4.603 -5.990 1.00 0.00 C ATOM 519 OH TYR A 35 -9.705 -5.723 -6.669 1.00 0.00 O ATOM 0 H TYR A 35 -7.580 0.917 -2.459 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.875 -0.200 -3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.539 -0.356 -4.593 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.084 -1.346 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.231 -1.212 -6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.652 -3.711 -3.134 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.013 -3.224 -7.468 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.430 -5.725 -4.354 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.467 -6.526 -6.160 1.00 0.00 H new ATOM 529 N LEU A 36 -8.820 -1.820 -1.058 1.00 0.00 N ATOM 530 CA LEU A 36 -9.263 -2.815 -0.046 1.00 0.00 C ATOM 531 C LEU A 36 -10.497 -2.275 0.681 1.00 0.00 C ATOM 532 O LEU A 36 -11.421 -3.005 0.976 1.00 0.00 O ATOM 533 CB LEU A 36 -8.134 -3.058 0.958 1.00 0.00 C ATOM 534 CG LEU A 36 -6.925 -3.723 0.258 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.719 -3.699 1.210 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.241 -5.189 -0.129 1.00 0.00 C ATOM 0 H LEU A 36 -7.902 -1.409 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.513 -3.756 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.828 -2.113 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.489 -3.695 1.768 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.703 -3.168 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.862 -4.166 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.475 -2.667 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.963 -4.247 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.374 -5.631 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.480 -5.759 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.092 -5.210 -0.810 1.00 0.00 H new ATOM 548 N ALA A 37 -10.519 -0.998 0.971 1.00 0.00 N ATOM 549 CA ALA A 37 -11.695 -0.413 1.679 1.00 0.00 C ATOM 550 C ALA A 37 -12.959 -0.695 0.864 1.00 0.00 C ATOM 551 O ALA A 37 -13.976 -1.084 1.399 1.00 0.00 O ATOM 552 CB ALA A 37 -11.509 1.101 1.828 1.00 0.00 C ATOM 0 H ALA A 37 -9.774 -0.338 0.748 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.786 -0.861 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.370 1.524 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.605 1.302 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.419 1.555 0.841 1.00 0.00 H new ATOM 558 N LYS A 38 -12.903 -0.505 -0.427 1.00 0.00 N ATOM 559 CA LYS A 38 -14.104 -0.771 -1.267 1.00 0.00 C ATOM 560 C LYS A 38 -14.449 -2.265 -1.215 1.00 0.00 C ATOM 561 O LYS A 38 -15.597 -2.639 -1.088 1.00 0.00 O ATOM 562 CB LYS A 38 -13.803 -0.373 -2.714 1.00 0.00 C ATOM 563 CG LYS A 38 -13.630 1.143 -2.798 1.00 0.00 C ATOM 564 CD LYS A 38 -13.247 1.533 -4.225 1.00 0.00 C ATOM 565 CE LYS A 38 -12.999 3.038 -4.287 1.00 0.00 C ATOM 566 NZ LYS A 38 -14.246 3.760 -3.912 1.00 0.00 N ATOM 0 H LYS A 38 -12.080 -0.178 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.947 -0.191 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.898 -0.873 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.614 -0.694 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.555 1.642 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.859 1.471 -2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.353 0.992 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.043 1.255 -4.916 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.189 3.313 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.687 3.325 -5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.202 4.736 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.066 3.276 -4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.342 3.773 -2.877 1.00 0.00 H new ATOM 580 N ASN A 39 -13.465 -3.119 -1.325 1.00 0.00 N ATOM 581 CA ASN A 39 -13.744 -4.586 -1.300 1.00 0.00 C ATOM 582 C ASN A 39 -14.307 -5.000 0.068 1.00 0.00 C ATOM 583 O ASN A 39 -15.202 -5.816 0.157 1.00 0.00 O ATOM 584 CB ASN A 39 -12.439 -5.352 -1.561 1.00 0.00 C ATOM 585 CG ASN A 39 -11.974 -5.118 -3.001 1.00 0.00 C ATOM 586 OD1 ASN A 39 -12.567 -5.623 -3.934 1.00 0.00 O ATOM 587 ND2 ASN A 39 -10.929 -4.363 -3.220 1.00 0.00 N ATOM 0 H ASN A 39 -12.483 -2.865 -1.431 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.478 -4.820 -2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.669 -5.023 -0.863 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.592 -6.417 -1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.611 -4.197 -4.175 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.432 -3.940 -2.436 1.00 0.00 H new ATOM 594 N ASP A 40 -13.776 -4.453 1.138 1.00 0.00 N ATOM 595 CA ASP A 40 -14.256 -4.820 2.516 1.00 0.00 C ATOM 596 C ASP A 40 -15.359 -3.828 2.958 1.00 0.00 C ATOM 597 O ASP A 40 -15.370 -2.699 2.516 1.00 0.00 O ATOM 598 CB ASP A 40 -13.053 -4.712 3.476 1.00 0.00 C ATOM 599 CG ASP A 40 -12.148 -5.943 3.344 1.00 0.00 C ATOM 600 OD1 ASP A 40 -11.313 -5.950 2.455 1.00 0.00 O ATOM 601 OD2 ASP A 40 -12.304 -6.857 4.138 1.00 0.00 O ATOM 0 H ASP A 40 -13.025 -3.763 1.118 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.665 -5.830 2.525 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.484 -3.809 3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.407 -4.622 4.503 1.00 0.00 H new ATOM 606 N PRO A 41 -16.276 -4.217 3.832 1.00 0.00 N ATOM 607 CA PRO A 41 -17.343 -3.283 4.301 1.00 0.00 C ATOM 608 C PRO A 41 -16.764 -1.918 4.715 1.00 0.00 C ATOM 609 O PRO A 41 -17.302 -0.878 4.391 1.00 0.00 O ATOM 610 CB PRO A 41 -17.964 -3.995 5.530 1.00 0.00 C ATOM 611 CG PRO A 41 -17.636 -5.458 5.377 1.00 0.00 C ATOM 612 CD PRO A 41 -16.404 -5.561 4.443 1.00 0.00 C ATOM 0 HA PRO A 41 -18.069 -3.075 3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.553 -3.599 6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -19.042 -3.839 5.567 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.421 -5.907 6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -18.483 -5.999 4.956 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -15.507 -5.829 5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.548 -6.329 3.683 1.00 0.00 H new ATOM 620 N SER A 42 -15.672 -1.924 5.433 1.00 0.00 N ATOM 621 CA SER A 42 -15.048 -0.645 5.879 1.00 0.00 C ATOM 622 C SER A 42 -13.660 -0.956 6.450 1.00 0.00 C ATOM 623 O SER A 42 -13.470 -1.008 7.649 1.00 0.00 O ATOM 624 CB SER A 42 -15.917 -0.004 6.969 1.00 0.00 C ATOM 625 OG SER A 42 -17.120 0.477 6.386 1.00 0.00 O ATOM 0 H SER A 42 -15.182 -2.767 5.732 1.00 0.00 H new ATOM 0 HA SER A 42 -14.963 0.044 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 42 -16.142 -0.734 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.378 0.814 7.446 1.00 0.00 H new ATOM 0 HG SER A 42 -17.090 0.343 5.416 1.00 0.00 H new ATOM 631 N PHE A 43 -12.694 -1.181 5.603 1.00 0.00 N ATOM 632 CA PHE A 43 -11.327 -1.507 6.102 1.00 0.00 C ATOM 633 C PHE A 43 -10.806 -0.355 6.955 1.00 0.00 C ATOM 634 O PHE A 43 -11.500 0.610 7.209 1.00 0.00 O ATOM 635 CB PHE A 43 -10.370 -1.749 4.925 1.00 0.00 C ATOM 636 CG PHE A 43 -9.068 -2.349 5.437 1.00 0.00 C ATOM 637 CD1 PHE A 43 -9.061 -3.661 5.933 1.00 0.00 C ATOM 638 CD2 PHE A 43 -7.873 -1.607 5.420 1.00 0.00 C ATOM 639 CE1 PHE A 43 -7.869 -4.228 6.406 1.00 0.00 C ATOM 640 CE2 PHE A 43 -6.685 -2.178 5.893 1.00 0.00 C ATOM 641 CZ PHE A 43 -6.684 -3.486 6.387 1.00 0.00 C ATOM 0 H PHE A 43 -12.791 -1.153 4.588 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.380 -2.414 6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.831 -2.421 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.170 -0.811 4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.975 -4.236 5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.872 -0.595 5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.866 -5.239 6.785 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.768 -1.607 5.876 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.767 -3.924 6.754 1.00 0.00 H new ATOM 651 N ASP A 44 -9.585 -0.457 7.404 1.00 0.00 N ATOM 652 CA ASP A 44 -8.983 0.611 8.248 1.00 0.00 C ATOM 653 C ASP A 44 -7.484 0.696 7.914 1.00 0.00 C ATOM 654 O ASP A 44 -6.681 0.045 8.540 1.00 0.00 O ATOM 655 CB ASP A 44 -9.154 0.212 9.720 1.00 0.00 C ATOM 656 CG ASP A 44 -10.632 0.304 10.121 1.00 0.00 C ATOM 657 OD1 ASP A 44 -11.379 -0.599 9.782 1.00 0.00 O ATOM 658 OD2 ASP A 44 -10.990 1.280 10.762 1.00 0.00 O ATOM 0 H ASP A 44 -8.970 -1.249 7.218 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.462 1.573 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.789 -0.804 9.875 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.555 0.866 10.354 1.00 0.00 H new ATOM 663 N PRO A 45 -7.092 1.477 6.928 1.00 0.00 N ATOM 664 CA PRO A 45 -5.658 1.598 6.551 1.00 0.00 C ATOM 665 C PRO A 45 -4.916 2.567 7.486 1.00 0.00 C ATOM 666 O PRO A 45 -4.426 2.168 8.527 1.00 0.00 O ATOM 667 CB PRO A 45 -5.703 2.103 5.090 1.00 0.00 C ATOM 668 CG PRO A 45 -7.014 2.846 4.960 1.00 0.00 C ATOM 669 CD PRO A 45 -7.955 2.321 6.077 1.00 0.00 C ATOM 0 HA PRO A 45 -5.111 0.660 6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.858 2.757 4.875 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.651 1.273 4.386 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.859 3.920 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.454 2.679 3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.391 3.142 6.646 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.783 1.747 5.660 1.00 0.00 H new ATOM 677 N ARG A 46 -4.836 3.818 7.145 1.00 0.00 N ATOM 678 CA ARG A 46 -4.128 4.789 8.033 1.00 0.00 C ATOM 679 C ARG A 46 -4.901 4.957 9.341 1.00 0.00 C ATOM 680 O ARG A 46 -4.348 5.354 10.347 1.00 0.00 O ATOM 681 CB ARG A 46 -4.012 6.137 7.322 1.00 0.00 C ATOM 682 CG ARG A 46 -5.413 6.618 6.899 1.00 0.00 C ATOM 683 CD ARG A 46 -5.321 7.874 6.024 1.00 0.00 C ATOM 684 NE ARG A 46 -5.331 9.096 6.891 1.00 0.00 N ATOM 685 CZ ARG A 46 -4.921 10.239 6.395 1.00 0.00 C ATOM 686 NH1 ARG A 46 -4.234 10.245 5.285 1.00 0.00 N ATOM 687 NH2 ARG A 46 -5.154 11.367 7.028 1.00 0.00 N ATOM 0 H ARG A 46 -5.228 4.215 6.291 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.131 4.411 8.258 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.549 6.870 7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.368 6.044 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.924 5.826 6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.011 6.830 7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.409 7.847 5.427 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.158 7.905 5.326 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.653 9.040 7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.021 9.367 4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.910 11.128 4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.658 11.360 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.830 12.250 6.633 1.00 0.00 H new ATOM 701 N ASN A 47 -6.176 4.657 9.344 1.00 0.00 N ATOM 702 CA ASN A 47 -6.986 4.796 10.595 1.00 0.00 C ATOM 703 C ASN A 47 -6.281 4.073 11.755 1.00 0.00 C ATOM 704 O ASN A 47 -6.658 4.212 12.902 1.00 0.00 O ATOM 705 CB ASN A 47 -8.376 4.167 10.371 1.00 0.00 C ATOM 706 CG ASN A 47 -9.220 5.071 9.467 1.00 0.00 C ATOM 707 OD1 ASN A 47 -8.905 6.228 9.285 1.00 0.00 O ATOM 708 ND2 ASN A 47 -10.289 4.586 8.895 1.00 0.00 N ATOM 0 H ASN A 47 -6.693 4.321 8.532 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.093 5.852 10.842 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -8.270 3.182 9.917 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.878 4.024 11.328 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.860 5.180 8.294 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -10.553 3.613 9.049 1.00 0.00 H new ATOM 715 N TRP A 48 -5.260 3.306 11.465 1.00 0.00 N ATOM 716 CA TRP A 48 -4.533 2.578 12.548 1.00 0.00 C ATOM 717 C TRP A 48 -3.627 3.569 13.294 1.00 0.00 C ATOM 718 O TRP A 48 -3.306 3.374 14.450 1.00 0.00 O ATOM 719 CB TRP A 48 -3.676 1.456 11.920 1.00 0.00 C ATOM 720 CG TRP A 48 -4.526 0.270 11.572 1.00 0.00 C ATOM 721 CD1 TRP A 48 -5.742 0.323 10.988 1.00 0.00 C ATOM 722 CD2 TRP A 48 -4.235 -1.142 11.786 1.00 0.00 C ATOM 723 NE1 TRP A 48 -6.214 -0.968 10.816 1.00 0.00 N ATOM 724 CE2 TRP A 48 -5.322 -1.906 11.299 1.00 0.00 C ATOM 725 CE3 TRP A 48 -3.141 -1.825 12.347 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -5.325 -3.300 11.371 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -3.142 -3.227 12.422 1.00 0.00 C ATOM 728 CH2 TRP A 48 -4.230 -3.964 11.933 1.00 0.00 C ATOM 0 H TRP A 48 -4.899 3.153 10.524 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.245 2.138 13.247 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.180 1.829 11.024 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.893 1.156 12.617 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.262 1.225 10.702 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.110 -1.198 10.386 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.295 -1.268 12.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.167 -3.862 10.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.299 -3.741 12.859 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.222 -5.042 11.990 1.00 0.00 H new ATOM 739 N GLY A 49 -3.212 4.629 12.647 1.00 0.00 N ATOM 740 CA GLY A 49 -2.329 5.622 13.324 1.00 0.00 C ATOM 741 C GLY A 49 -1.757 6.584 12.282 1.00 0.00 C ATOM 742 O GLY A 49 -2.192 6.619 11.148 1.00 0.00 O ATOM 0 H GLY A 49 -3.448 4.848 11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.893 6.175 14.075 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.520 5.110 13.846 1.00 0.00 H new ATOM 746 N HIS A 50 -0.784 7.366 12.661 1.00 0.00 N ATOM 747 CA HIS A 50 -0.178 8.334 11.704 1.00 0.00 C ATOM 748 C HIS A 50 0.716 7.587 10.706 1.00 0.00 C ATOM 749 O HIS A 50 1.924 7.612 10.811 1.00 0.00 O ATOM 750 CB HIS A 50 0.673 9.335 12.489 1.00 0.00 C ATOM 751 CG HIS A 50 1.249 10.358 11.552 1.00 0.00 C ATOM 752 ND1 HIS A 50 0.461 11.295 10.903 1.00 0.00 N ATOM 753 CD2 HIS A 50 2.538 10.608 11.149 1.00 0.00 C ATOM 754 CE1 HIS A 50 1.276 12.058 10.151 1.00 0.00 C ATOM 755 NE2 HIS A 50 2.552 11.682 10.265 1.00 0.00 N ATOM 0 H HIS A 50 -0.381 7.376 13.598 1.00 0.00 H new ATOM 0 HA HIS A 50 -0.967 8.854 11.160 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.065 9.826 13.249 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.476 8.814 13.011 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.408 10.055 11.470 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.939 12.875 9.531 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.363 12.094 9.803 1.00 0.00 H new ATOM 763 N GLY A 51 0.134 6.928 9.735 1.00 0.00 N ATOM 764 CA GLY A 51 0.960 6.187 8.728 1.00 0.00 C ATOM 765 C GLY A 51 1.475 4.872 9.331 1.00 0.00 C ATOM 766 O GLY A 51 2.409 4.274 8.834 1.00 0.00 O ATOM 0 H GLY A 51 -0.875 6.870 9.595 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.364 5.979 7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.801 6.804 8.411 1.00 0.00 H new ATOM 770 N ARG A 52 0.872 4.421 10.400 1.00 0.00 N ATOM 771 CA ARG A 52 1.319 3.148 11.047 1.00 0.00 C ATOM 772 C ARG A 52 1.128 1.993 10.057 1.00 0.00 C ATOM 773 O ARG A 52 1.731 0.947 10.188 1.00 0.00 O ATOM 774 CB ARG A 52 0.471 2.919 12.306 1.00 0.00 C ATOM 775 CG ARG A 52 0.922 1.671 13.093 1.00 0.00 C ATOM 776 CD ARG A 52 -0.027 1.522 14.305 1.00 0.00 C ATOM 777 NE ARG A 52 0.355 0.417 15.258 1.00 0.00 N ATOM 778 CZ ARG A 52 0.079 -0.843 14.985 1.00 0.00 C ATOM 779 NH1 ARG A 52 -0.016 -1.259 13.754 1.00 0.00 N ATOM 780 NH2 ARG A 52 -0.027 -1.715 15.962 1.00 0.00 N ATOM 0 H ARG A 52 0.084 4.881 10.856 1.00 0.00 H new ATOM 0 HA ARG A 52 2.371 3.204 11.325 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.536 3.796 12.950 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.576 2.809 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.881 0.783 12.462 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.955 1.779 13.425 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.051 2.465 14.851 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.038 1.339 13.940 1.00 0.00 H new ATOM 0 HE ARG A 52 0.835 0.648 16.128 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.124 -0.606 12.983 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.230 -2.237 13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.104 -1.416 16.928 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.240 -2.690 15.754 1.00 0.00 H new ATOM 794 N LEU A 53 0.310 2.181 9.053 1.00 0.00 N ATOM 795 CA LEU A 53 0.108 1.099 8.047 1.00 0.00 C ATOM 796 C LEU A 53 1.449 0.829 7.356 1.00 0.00 C ATOM 797 O LEU A 53 1.842 -0.304 7.159 1.00 0.00 O ATOM 798 CB LEU A 53 -0.932 1.561 7.014 1.00 0.00 C ATOM 799 CG LEU A 53 -1.159 0.491 5.928 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.685 -0.823 6.545 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.179 1.038 4.921 1.00 0.00 C ATOM 0 H LEU A 53 -0.224 3.034 8.888 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.250 0.188 8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.875 1.778 7.516 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.598 2.489 6.549 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.213 0.271 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.836 -1.560 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.959 -1.204 7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.632 -0.634 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.355 0.296 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.116 1.255 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.792 1.952 4.471 1.00 0.00 H new ATOM 813 N SER A 54 2.153 1.870 6.994 1.00 0.00 N ATOM 814 CA SER A 54 3.466 1.686 6.320 1.00 0.00 C ATOM 815 C SER A 54 4.428 0.973 7.276 1.00 0.00 C ATOM 816 O SER A 54 5.251 0.183 6.861 1.00 0.00 O ATOM 817 CB SER A 54 4.045 3.050 5.937 1.00 0.00 C ATOM 818 OG SER A 54 4.198 3.844 7.107 1.00 0.00 O ATOM 0 H SER A 54 1.872 2.840 7.138 1.00 0.00 H new ATOM 0 HA SER A 54 3.332 1.087 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.008 2.923 5.442 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.386 3.551 5.228 1.00 0.00 H new ATOM 0 HG SER A 54 3.319 4.158 7.407 1.00 0.00 H new ATOM 824 N GLN A 55 4.333 1.249 8.552 1.00 0.00 N ATOM 825 CA GLN A 55 5.243 0.587 9.533 1.00 0.00 C ATOM 826 C GLN A 55 4.761 -0.843 9.793 1.00 0.00 C ATOM 827 O GLN A 55 5.539 -1.724 10.104 1.00 0.00 O ATOM 828 CB GLN A 55 5.223 1.377 10.845 1.00 0.00 C ATOM 829 CG GLN A 55 5.725 2.805 10.594 1.00 0.00 C ATOM 830 CD GLN A 55 7.219 2.778 10.256 1.00 0.00 C ATOM 831 OE1 GLN A 55 7.656 3.442 9.337 1.00 0.00 O ATOM 832 NE2 GLN A 55 8.022 2.032 10.965 1.00 0.00 N ATOM 0 H GLN A 55 3.664 1.904 8.956 1.00 0.00 H new ATOM 0 HA GLN A 55 6.257 0.560 9.134 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.212 1.402 11.250 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.852 0.885 11.587 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.166 3.258 9.776 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.554 3.421 11.477 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.653 1.475 11.736 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.018 2.006 10.748 1.00 0.00 H new ATOM 841 N MET A 56 3.481 -1.079 9.676 1.00 0.00 N ATOM 842 CA MET A 56 2.951 -2.450 9.924 1.00 0.00 C ATOM 843 C MET A 56 3.548 -3.417 8.896 1.00 0.00 C ATOM 844 O MET A 56 4.005 -4.490 9.235 1.00 0.00 O ATOM 845 CB MET A 56 1.421 -2.435 9.799 1.00 0.00 C ATOM 846 CG MET A 56 0.856 -3.824 10.122 1.00 0.00 C ATOM 847 SD MET A 56 -0.956 -3.757 10.131 1.00 0.00 S ATOM 848 CE MET A 56 -1.234 -4.092 8.373 1.00 0.00 C ATOM 0 H MET A 56 2.781 -0.382 9.420 1.00 0.00 H new ATOM 0 HA MET A 56 3.226 -2.776 10.927 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.999 -1.695 10.479 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.133 -2.142 8.790 1.00 0.00 H new ATOM 0 HG2 MET A 56 1.199 -4.548 9.383 1.00 0.00 H new ATOM 0 HG3 MET A 56 1.222 -4.160 11.092 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.275 -3.886 8.123 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.584 -3.454 7.774 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.011 -5.138 8.162 1.00 0.00 H new ATOM 858 N VAL A 57 3.553 -3.044 7.642 1.00 0.00 N ATOM 859 CA VAL A 57 4.125 -3.943 6.598 1.00 0.00 C ATOM 860 C VAL A 57 5.634 -4.101 6.827 1.00 0.00 C ATOM 861 O VAL A 57 6.216 -5.117 6.501 1.00 0.00 O ATOM 862 CB VAL A 57 3.863 -3.350 5.204 1.00 0.00 C ATOM 863 CG1 VAL A 57 2.368 -3.430 4.877 1.00 0.00 C ATOM 864 CG2 VAL A 57 4.305 -1.882 5.173 1.00 0.00 C ATOM 0 H VAL A 57 3.186 -2.157 7.297 1.00 0.00 H new ATOM 0 HA VAL A 57 3.650 -4.922 6.662 1.00 0.00 H new ATOM 0 HB VAL A 57 4.429 -3.919 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.189 -3.008 3.888 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.048 -4.472 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.803 -2.867 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.117 -1.466 4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.743 -1.317 5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.370 -1.818 5.398 1.00 0.00 H new ATOM 874 N LYS A 58 6.273 -3.101 7.374 1.00 0.00 N ATOM 875 CA LYS A 58 7.743 -3.187 7.614 1.00 0.00 C ATOM 876 C LYS A 58 8.045 -4.341 8.571 1.00 0.00 C ATOM 877 O LYS A 58 9.047 -5.019 8.445 1.00 0.00 O ATOM 878 CB LYS A 58 8.222 -1.868 8.229 1.00 0.00 C ATOM 879 CG LYS A 58 9.746 -1.869 8.350 1.00 0.00 C ATOM 880 CD LYS A 58 10.202 -0.523 8.909 1.00 0.00 C ATOM 881 CE LYS A 58 11.727 -0.501 9.017 1.00 0.00 C ATOM 882 NZ LYS A 58 12.315 -0.611 7.654 1.00 0.00 N ATOM 0 H LYS A 58 5.838 -2.226 7.666 1.00 0.00 H new ATOM 0 HA LYS A 58 8.260 -3.365 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.899 -1.031 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.771 -1.731 9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.071 -2.678 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.201 -2.045 7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.862 0.285 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.756 -0.355 9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.057 0.421 9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.071 -1.325 9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.296 -0.265 7.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.304 -1.606 7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.757 -0.039 6.988 1.00 0.00 H new ATOM 896 N LYS A 59 7.188 -4.571 9.528 1.00 0.00 N ATOM 897 CA LYS A 59 7.419 -5.683 10.494 1.00 0.00 C ATOM 898 C LYS A 59 7.375 -7.016 9.736 1.00 0.00 C ATOM 899 O LYS A 59 8.087 -7.948 10.052 1.00 0.00 O ATOM 900 CB LYS A 59 6.314 -5.656 11.569 1.00 0.00 C ATOM 901 CG LYS A 59 6.655 -6.613 12.747 1.00 0.00 C ATOM 902 CD LYS A 59 7.554 -5.912 13.782 1.00 0.00 C ATOM 903 CE LYS A 59 7.960 -6.910 14.869 1.00 0.00 C ATOM 904 NZ LYS A 59 6.750 -7.396 15.591 1.00 0.00 N ATOM 0 H LYS A 59 6.334 -4.035 9.683 1.00 0.00 H new ATOM 0 HA LYS A 59 8.391 -5.569 10.974 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.193 -4.640 11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.362 -5.947 11.124 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.735 -6.948 13.226 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.158 -7.502 12.365 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.442 -5.509 13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.025 -5.069 14.227 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.490 -7.751 14.422 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.647 -6.437 15.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.036 -7.849 16.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.122 -6.593 15.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.246 -8.086 14.998 1.00 0.00 H new ATOM 918 N LEU A 60 6.526 -7.105 8.742 1.00 0.00 N ATOM 919 CA LEU A 60 6.404 -8.368 7.950 1.00 0.00 C ATOM 920 C LEU A 60 7.607 -8.491 7.003 1.00 0.00 C ATOM 921 O LEU A 60 8.047 -7.522 6.417 1.00 0.00 O ATOM 922 CB LEU A 60 5.101 -8.329 7.142 1.00 0.00 C ATOM 923 CG LEU A 60 3.911 -8.025 8.076 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.622 -7.952 7.249 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.773 -9.128 9.151 1.00 0.00 C ATOM 0 H LEU A 60 5.908 -6.351 8.443 1.00 0.00 H new ATOM 0 HA LEU A 60 6.387 -9.228 8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.168 -7.568 6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.946 -9.284 6.640 1.00 0.00 H new ATOM 0 HG LEU A 60 4.087 -7.071 8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.780 -7.737 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.712 -7.161 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.457 -8.906 6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.929 -8.898 9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.606 -10.090 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.686 -9.174 9.744 1.00 0.00 H new ATOM 937 N ASP A 61 8.154 -9.680 6.869 1.00 0.00 N ATOM 938 CA ASP A 61 9.351 -9.890 5.986 1.00 0.00 C ATOM 939 C ASP A 61 8.932 -10.182 4.537 1.00 0.00 C ATOM 940 O ASP A 61 9.632 -9.839 3.606 1.00 0.00 O ATOM 941 CB ASP A 61 10.156 -11.082 6.515 1.00 0.00 C ATOM 942 CG ASP A 61 10.470 -10.870 7.996 1.00 0.00 C ATOM 943 OD1 ASP A 61 11.016 -9.829 8.322 1.00 0.00 O ATOM 944 OD2 ASP A 61 10.158 -11.750 8.781 1.00 0.00 O ATOM 0 H ASP A 61 7.819 -10.521 7.338 1.00 0.00 H new ATOM 0 HA ASP A 61 9.950 -8.979 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.591 -12.004 6.381 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.081 -11.190 5.948 1.00 0.00 H new ATOM 949 N PHE A 62 7.815 -10.837 4.334 1.00 0.00 N ATOM 950 CA PHE A 62 7.386 -11.172 2.938 1.00 0.00 C ATOM 951 C PHE A 62 6.816 -9.937 2.234 1.00 0.00 C ATOM 952 O PHE A 62 6.135 -10.051 1.235 1.00 0.00 O ATOM 953 CB PHE A 62 6.332 -12.288 2.977 1.00 0.00 C ATOM 954 CG PHE A 62 5.037 -11.794 3.602 1.00 0.00 C ATOM 955 CD1 PHE A 62 4.872 -11.821 4.993 1.00 0.00 C ATOM 956 CD2 PHE A 62 3.999 -11.319 2.787 1.00 0.00 C ATOM 957 CE1 PHE A 62 3.674 -11.375 5.566 1.00 0.00 C ATOM 958 CE2 PHE A 62 2.803 -10.876 3.361 1.00 0.00 C ATOM 959 CZ PHE A 62 2.640 -10.903 4.750 1.00 0.00 C ATOM 0 H PHE A 62 7.184 -11.153 5.070 1.00 0.00 H new ATOM 0 HA PHE A 62 8.256 -11.514 2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.138 -12.646 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.715 -13.135 3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.669 -12.186 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.123 -11.295 1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.548 -11.395 6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.004 -10.513 2.731 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.717 -10.560 5.192 1.00 0.00 H new ATOM 969 N LEU A 63 7.099 -8.762 2.741 1.00 0.00 N ATOM 970 CA LEU A 63 6.594 -7.496 2.103 1.00 0.00 C ATOM 971 C LEU A 63 7.745 -6.480 2.024 1.00 0.00 C ATOM 972 O LEU A 63 8.399 -6.186 3.006 1.00 0.00 O ATOM 973 CB LEU A 63 5.431 -6.928 2.952 1.00 0.00 C ATOM 974 CG LEU A 63 4.088 -7.653 2.618 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.137 -7.562 3.814 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.404 -6.994 1.403 1.00 0.00 C ATOM 0 H LEU A 63 7.664 -8.620 3.578 1.00 0.00 H new ATOM 0 HA LEU A 63 6.230 -7.700 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.658 -7.046 4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.328 -5.859 2.765 1.00 0.00 H new ATOM 0 HG LEU A 63 4.313 -8.695 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.202 -8.069 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.596 -8.037 4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.934 -6.515 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.470 -7.513 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.195 -5.948 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.063 -7.055 0.537 1.00 0.00 H new ATOM 988 N THR A 64 7.984 -5.938 0.853 1.00 0.00 N ATOM 989 CA THR A 64 9.075 -4.925 0.665 1.00 0.00 C ATOM 990 C THR A 64 8.477 -3.532 0.855 1.00 0.00 C ATOM 991 O THR A 64 7.412 -3.239 0.344 1.00 0.00 O ATOM 992 CB THR A 64 9.632 -5.045 -0.762 1.00 0.00 C ATOM 993 OG1 THR A 64 10.124 -6.359 -0.964 1.00 0.00 O ATOM 994 CG2 THR A 64 10.771 -4.041 -0.981 1.00 0.00 C ATOM 0 H THR A 64 7.461 -6.158 0.005 1.00 0.00 H new ATOM 0 HA THR A 64 9.876 -5.093 1.385 1.00 0.00 H new ATOM 0 HB THR A 64 8.832 -4.831 -1.470 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.478 -6.439 -1.874 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.153 -4.140 -1.997 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.397 -3.028 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.573 -4.240 -0.270 1.00 0.00 H new ATOM 1002 N VAL A 65 9.148 -2.670 1.585 1.00 0.00 N ATOM 1003 CA VAL A 65 8.629 -1.281 1.827 1.00 0.00 C ATOM 1004 C VAL A 65 9.499 -0.283 1.070 1.00 0.00 C ATOM 1005 O VAL A 65 10.710 -0.308 1.152 1.00 0.00 O ATOM 1006 CB VAL A 65 8.704 -0.976 3.331 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.237 0.463 3.606 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.806 -1.958 4.094 1.00 0.00 C ATOM 0 H VAL A 65 10.044 -2.871 2.029 1.00 0.00 H new ATOM 0 HA VAL A 65 7.597 -1.204 1.483 1.00 0.00 H new ATOM 0 HB VAL A 65 9.736 -1.083 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.295 0.666 4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.877 1.162 3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.207 0.582 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.857 -1.744 5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.777 -1.851 3.752 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.145 -2.978 3.912 1.00 0.00 H new ATOM 1018 N GLN A 66 8.888 0.603 0.337 1.00 0.00 N ATOM 1019 CA GLN A 66 9.666 1.621 -0.425 1.00 0.00 C ATOM 1020 C GLN A 66 8.780 2.850 -0.615 1.00 0.00 C ATOM 1021 O GLN A 66 7.572 2.769 -0.549 1.00 0.00 O ATOM 1022 CB GLN A 66 10.079 1.042 -1.784 1.00 0.00 C ATOM 1023 CG GLN A 66 10.927 2.065 -2.550 1.00 0.00 C ATOM 1024 CD GLN A 66 11.519 1.411 -3.804 1.00 0.00 C ATOM 1025 OE1 GLN A 66 12.489 0.684 -3.723 1.00 0.00 O ATOM 1026 NE2 GLN A 66 10.964 1.631 -4.968 1.00 0.00 N ATOM 0 H GLN A 66 7.876 0.667 0.231 1.00 0.00 H new ATOM 0 HA GLN A 66 10.570 1.898 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.645 0.122 -1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.193 0.784 -2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.315 2.922 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.727 2.439 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.150 2.241 -5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.346 1.192 -5.806 1.00 0.00 H new ATOM 1035 N GLU A 67 9.367 3.995 -0.834 1.00 0.00 N ATOM 1036 CA GLU A 67 8.559 5.240 -1.016 1.00 0.00 C ATOM 1037 C GLU A 67 9.272 6.139 -2.022 1.00 0.00 C ATOM 1038 O GLU A 67 10.468 6.038 -2.210 1.00 0.00 O ATOM 1039 CB GLU A 67 8.397 5.960 0.337 1.00 0.00 C ATOM 1040 CG GLU A 67 9.761 6.202 1.006 1.00 0.00 C ATOM 1041 CD GLU A 67 10.341 4.882 1.527 1.00 0.00 C ATOM 1042 OE1 GLU A 67 9.569 4.065 2.000 1.00 0.00 O ATOM 1043 OE2 GLU A 67 11.545 4.711 1.440 1.00 0.00 O ATOM 0 H GLU A 67 10.377 4.125 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 67 7.565 4.994 -1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.889 6.913 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.767 5.363 0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.449 6.652 0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.650 6.908 1.829 1.00 0.00 H new ATOM 1050 N SER A 68 8.543 7.012 -2.680 1.00 0.00 N ATOM 1051 CA SER A 68 9.159 7.935 -3.694 1.00 0.00 C ATOM 1052 C SER A 68 8.665 9.350 -3.436 1.00 0.00 C ATOM 1053 O SER A 68 7.558 9.567 -2.988 1.00 0.00 O ATOM 1054 CB SER A 68 8.754 7.518 -5.110 1.00 0.00 C ATOM 1055 OG SER A 68 9.272 6.224 -5.383 1.00 0.00 O ATOM 0 H SER A 68 7.537 7.126 -2.557 1.00 0.00 H new ATOM 0 HA SER A 68 10.244 7.887 -3.606 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.668 7.515 -5.204 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.135 8.236 -5.836 1.00 0.00 H new ATOM 0 HG SER A 68 9.013 5.952 -6.288 1.00 0.00 H new ATOM 1061 N ARG A 69 9.497 10.318 -3.714 1.00 0.00 N ATOM 1062 CA ARG A 69 9.112 11.735 -3.487 1.00 0.00 C ATOM 1063 C ARG A 69 8.168 12.196 -4.590 1.00 0.00 C ATOM 1064 O ARG A 69 8.329 11.855 -5.743 1.00 0.00 O ATOM 1065 CB ARG A 69 10.381 12.599 -3.483 1.00 0.00 C ATOM 1066 CG ARG A 69 11.270 12.171 -2.299 1.00 0.00 C ATOM 1067 CD ARG A 69 12.425 13.183 -2.028 1.00 0.00 C ATOM 1068 NE ARG A 69 13.714 12.952 -2.816 1.00 0.00 N ATOM 1069 CZ ARG A 69 14.242 11.744 -2.897 1.00 0.00 C ATOM 1070 NH1 ARG A 69 13.542 10.745 -3.356 1.00 0.00 N ATOM 1071 NH2 ARG A 69 15.542 11.596 -2.740 1.00 0.00 N ATOM 0 H ARG A 69 10.435 10.183 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 69 8.601 11.832 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.921 12.481 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.119 13.654 -3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.656 12.075 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.693 11.187 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.062 14.187 -2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.663 13.157 -0.965 1.00 0.00 H new ATOM 0 HE ARG A 69 14.170 13.736 -3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.578 10.893 -3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.958 9.815 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.130 12.410 -2.558 1.00 0.00 H new ATOM 0 HH22 ARG A 69 15.961 10.668 -2.800 1.00 0.00 H new ATOM 1085 N ASN A 70 7.177 12.973 -4.241 1.00 0.00 N ATOM 1086 CA ASN A 70 6.209 13.468 -5.264 1.00 0.00 C ATOM 1087 C ASN A 70 5.649 14.824 -4.830 1.00 0.00 C ATOM 1088 O ASN A 70 4.759 14.907 -4.006 1.00 0.00 O ATOM 1089 CB ASN A 70 5.071 12.458 -5.413 1.00 0.00 C ATOM 1090 CG ASN A 70 5.629 11.157 -5.995 1.00 0.00 C ATOM 1091 OD1 ASN A 70 6.324 11.173 -6.992 1.00 0.00 O ATOM 1092 ND2 ASN A 70 5.360 10.022 -5.406 1.00 0.00 N ATOM 0 H ASN A 70 6.995 13.287 -3.288 1.00 0.00 H new ATOM 0 HA ASN A 70 6.717 13.584 -6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.607 12.268 -4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.295 12.859 -6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.733 9.151 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.777 10.007 -4.569 1.00 0.00 H new ATOM 1099 N GLY A 71 6.158 15.887 -5.387 1.00 0.00 N ATOM 1100 CA GLY A 71 5.651 17.240 -5.023 1.00 0.00 C ATOM 1101 C GLY A 71 5.953 17.540 -3.551 1.00 0.00 C ATOM 1102 O GLY A 71 7.020 17.242 -3.051 1.00 0.00 O ATOM 0 H GLY A 71 6.906 15.877 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.116 17.994 -5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.577 17.293 -5.200 1.00 0.00 H new ATOM 1106 N SER A 72 5.018 18.141 -2.857 1.00 0.00 N ATOM 1107 CA SER A 72 5.231 18.485 -1.414 1.00 0.00 C ATOM 1108 C SER A 72 4.785 17.320 -0.531 1.00 0.00 C ATOM 1109 O SER A 72 4.780 17.419 0.681 1.00 0.00 O ATOM 1110 CB SER A 72 4.404 19.722 -1.065 1.00 0.00 C ATOM 1111 OG SER A 72 3.021 19.399 -1.132 1.00 0.00 O ATOM 0 H SER A 72 4.108 18.411 -3.231 1.00 0.00 H new ATOM 0 HA SER A 72 6.289 18.683 -1.244 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.659 20.073 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.633 20.533 -1.756 1.00 0.00 H new ATOM 0 HG SER A 72 2.489 20.191 -0.907 1.00 0.00 H new ATOM 1117 N LYS A 73 4.396 16.217 -1.131 1.00 0.00 N ATOM 1118 CA LYS A 73 3.932 15.026 -0.339 1.00 0.00 C ATOM 1119 C LYS A 73 4.481 13.742 -0.974 1.00 0.00 C ATOM 1120 O LYS A 73 4.127 13.383 -2.080 1.00 0.00 O ATOM 1121 CB LYS A 73 2.401 14.988 -0.349 1.00 0.00 C ATOM 1122 CG LYS A 73 1.901 13.851 0.547 1.00 0.00 C ATOM 1123 CD LYS A 73 0.375 13.889 0.618 1.00 0.00 C ATOM 1124 CE LYS A 73 -0.118 12.772 1.539 1.00 0.00 C ATOM 1125 NZ LYS A 73 0.322 11.459 0.995 1.00 0.00 N ATOM 0 H LYS A 73 4.380 16.089 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 73 4.293 15.102 0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.003 15.940 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.039 14.846 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.233 12.891 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.324 13.949 1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.041 14.857 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.050 13.768 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.277 12.913 2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.205 12.801 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.279 10.704 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.242 11.468 -0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.312 11.286 1.264 1.00 0.00 H new ATOM 1139 N LEU A 74 5.339 13.042 -0.273 1.00 0.00 N ATOM 1140 CA LEU A 74 5.904 11.773 -0.826 1.00 0.00 C ATOM 1141 C LEU A 74 4.835 10.686 -0.718 1.00 0.00 C ATOM 1142 O LEU A 74 4.108 10.627 0.253 1.00 0.00 O ATOM 1143 CB LEU A 74 7.153 11.365 -0.022 1.00 0.00 C ATOM 1144 CG LEU A 74 6.820 11.207 1.505 1.00 0.00 C ATOM 1145 CD1 LEU A 74 6.672 9.720 1.873 1.00 0.00 C ATOM 1146 CD2 LEU A 74 7.942 11.810 2.368 1.00 0.00 C ATOM 0 H LEU A 74 5.672 13.295 0.657 1.00 0.00 H new ATOM 0 HA LEU A 74 6.193 11.911 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.547 10.426 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.933 12.116 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 74 5.884 11.732 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.441 9.629 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.865 9.279 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.604 9.197 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.694 11.691 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.880 11.297 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.048 12.870 2.138 1.00 0.00 H new ATOM 1158 N HIS A 75 4.729 9.829 -1.710 1.00 0.00 N ATOM 1159 CA HIS A 75 3.695 8.735 -1.681 1.00 0.00 C ATOM 1160 C HIS A 75 4.365 7.413 -1.322 1.00 0.00 C ATOM 1161 O HIS A 75 5.292 6.973 -1.977 1.00 0.00 O ATOM 1162 CB HIS A 75 3.038 8.625 -3.063 1.00 0.00 C ATOM 1163 CG HIS A 75 2.266 9.887 -3.340 1.00 0.00 C ATOM 1164 ND1 HIS A 75 1.305 10.366 -2.463 1.00 0.00 N ATOM 1165 CD2 HIS A 75 2.307 10.786 -4.379 1.00 0.00 C ATOM 1166 CE1 HIS A 75 0.813 11.505 -2.981 1.00 0.00 C ATOM 1167 NE2 HIS A 75 1.387 11.807 -4.149 1.00 0.00 N ATOM 0 H HIS A 75 5.317 9.839 -2.544 1.00 0.00 H new ATOM 0 HA HIS A 75 2.935 8.966 -0.935 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.797 8.472 -3.830 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.373 7.762 -3.096 1.00 0.00 H new ATOM 0 HD2 HIS A 75 2.953 10.712 -5.241 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.047 12.103 -2.510 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.193 12.612 -4.745 1.00 0.00 H new ATOM 1175 N SER A 76 3.906 6.777 -0.275 1.00 0.00 N ATOM 1176 CA SER A 76 4.513 5.484 0.140 1.00 0.00 C ATOM 1177 C SER A 76 4.130 4.404 -0.874 1.00 0.00 C ATOM 1178 O SER A 76 3.081 4.463 -1.482 1.00 0.00 O ATOM 1179 CB SER A 76 3.998 5.096 1.530 1.00 0.00 C ATOM 1180 OG SER A 76 4.430 6.065 2.478 1.00 0.00 O ATOM 0 H SER A 76 3.135 7.101 0.309 1.00 0.00 H new ATOM 0 HA SER A 76 5.598 5.582 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.910 5.036 1.524 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.370 4.109 1.806 1.00 0.00 H new ATOM 0 HG SER A 76 4.101 5.821 3.368 1.00 0.00 H new ATOM 1186 N GLU A 77 4.979 3.421 -1.061 1.00 0.00 N ATOM 1187 CA GLU A 77 4.686 2.319 -2.040 1.00 0.00 C ATOM 1188 C GLU A 77 5.133 0.988 -1.433 1.00 0.00 C ATOM 1189 O GLU A 77 6.024 0.936 -0.610 1.00 0.00 O ATOM 1190 CB GLU A 77 5.464 2.564 -3.344 1.00 0.00 C ATOM 1191 CG GLU A 77 4.918 3.809 -4.057 1.00 0.00 C ATOM 1192 CD GLU A 77 5.730 4.089 -5.329 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.637 3.323 -5.617 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.428 5.065 -5.996 1.00 0.00 O ATOM 0 H GLU A 77 5.871 3.332 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 77 3.618 2.295 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.524 2.696 -3.125 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.379 1.695 -3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.869 3.660 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.965 4.670 -3.390 1.00 0.00 H new ATOM 1201 N ILE A 78 4.519 -0.095 -1.840 1.00 0.00 N ATOM 1202 CA ILE A 78 4.893 -1.447 -1.311 1.00 0.00 C ATOM 1203 C ILE A 78 4.826 -2.455 -2.464 1.00 0.00 C ATOM 1204 O ILE A 78 4.130 -2.247 -3.439 1.00 0.00 O ATOM 1205 CB ILE A 78 3.903 -1.852 -0.205 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.466 -1.667 -0.716 1.00 0.00 C ATOM 1207 CG2 ILE A 78 4.125 -0.972 1.029 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.472 -2.242 0.296 1.00 0.00 C ATOM 0 H ILE A 78 3.764 -0.102 -2.526 1.00 0.00 H new ATOM 0 HA ILE A 78 5.901 -1.427 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 78 4.063 -2.896 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.262 -0.608 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.347 -2.165 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.423 -1.260 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.145 -1.102 1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.965 0.073 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.456 -2.106 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.669 -3.305 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.583 -1.725 1.249 1.00 0.00 H new ATOM 1220 N ARG A 79 5.540 -3.550 -2.359 1.00 0.00 N ATOM 1221 CA ARG A 79 5.533 -4.601 -3.437 1.00 0.00 C ATOM 1222 C ARG A 79 5.474 -5.960 -2.755 1.00 0.00 C ATOM 1223 O ARG A 79 5.971 -6.136 -1.659 1.00 0.00 O ATOM 1224 CB ARG A 79 6.822 -4.491 -4.266 1.00 0.00 C ATOM 1225 CG ARG A 79 6.837 -5.486 -5.449 1.00 0.00 C ATOM 1226 CD ARG A 79 8.173 -5.307 -6.195 1.00 0.00 C ATOM 1227 NE ARG A 79 8.248 -6.122 -7.456 1.00 0.00 N ATOM 1228 CZ ARG A 79 8.548 -7.402 -7.418 1.00 0.00 C ATOM 1229 NH1 ARG A 79 8.439 -8.081 -6.309 1.00 0.00 N ATOM 1230 NH2 ARG A 79 8.929 -8.008 -8.510 1.00 0.00 N ATOM 0 H ARG A 79 6.138 -3.767 -1.561 1.00 0.00 H new ATOM 0 HA ARG A 79 4.678 -4.470 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.923 -3.474 -4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.683 -4.678 -3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.734 -6.510 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.997 -5.298 -6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.309 -4.254 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.993 -5.590 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 79 8.063 -5.676 -8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.118 -7.620 -5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.675 -9.073 -6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.993 -7.489 -9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.163 -9.001 -8.487 1.00 0.00 H new ATOM 1244 N LEU A 80 4.848 -6.915 -3.372 1.00 0.00 N ATOM 1245 CA LEU A 80 4.726 -8.263 -2.755 1.00 0.00 C ATOM 1246 C LEU A 80 5.932 -9.114 -3.197 1.00 0.00 C ATOM 1247 O LEU A 80 6.126 -9.366 -4.368 1.00 0.00 O ATOM 1248 CB LEU A 80 3.394 -8.867 -3.251 1.00 0.00 C ATOM 1249 CG LEU A 80 2.835 -9.901 -2.251 1.00 0.00 C ATOM 1250 CD1 LEU A 80 3.876 -10.995 -1.982 1.00 0.00 C ATOM 1251 CD2 LEU A 80 2.421 -9.216 -0.914 1.00 0.00 C ATOM 0 H LEU A 80 4.410 -6.821 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 80 4.724 -8.223 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.665 -8.071 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.547 -9.342 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 80 1.948 -10.355 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.469 -11.718 -1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.123 -11.500 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.776 -10.545 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.030 -9.966 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.291 -8.733 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.652 -8.469 -1.111 1.00 0.00 H new ATOM 1263 N ARG A 81 6.743 -9.539 -2.261 1.00 0.00 N ATOM 1264 CA ARG A 81 7.951 -10.351 -2.610 1.00 0.00 C ATOM 1265 C ARG A 81 7.532 -11.678 -3.223 1.00 0.00 C ATOM 1266 O ARG A 81 8.131 -12.140 -4.171 1.00 0.00 O ATOM 1267 CB ARG A 81 8.757 -10.599 -1.325 1.00 0.00 C ATOM 1268 CG ARG A 81 9.400 -9.279 -0.906 1.00 0.00 C ATOM 1269 CD ARG A 81 10.149 -9.411 0.417 1.00 0.00 C ATOM 1270 NE ARG A 81 10.804 -8.091 0.669 1.00 0.00 N ATOM 1271 CZ ARG A 81 12.040 -7.859 0.282 1.00 0.00 C ATOM 1272 NH1 ARG A 81 12.861 -8.843 0.018 1.00 0.00 N ATOM 1273 NH2 ARG A 81 12.472 -6.628 0.213 1.00 0.00 N ATOM 0 H ARG A 81 6.620 -9.358 -1.265 1.00 0.00 H new ATOM 0 HA ARG A 81 8.560 -9.814 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.107 -10.974 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.521 -11.357 -1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.089 -8.947 -1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.631 -8.513 -0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.464 -9.665 1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.891 -10.208 0.365 1.00 0.00 H new ATOM 0 HE ARG A 81 10.283 -7.357 1.150 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.546 -9.809 0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.816 -8.644 -0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.853 -5.856 0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.429 -6.439 -0.086 1.00 0.00 H new ATOM 1287 N HIS A 82 6.516 -12.286 -2.682 1.00 0.00 N ATOM 1288 CA HIS A 82 6.037 -13.596 -3.207 1.00 0.00 C ATOM 1289 C HIS A 82 7.150 -14.640 -3.066 1.00 0.00 C ATOM 1290 O HIS A 82 7.086 -15.516 -2.226 1.00 0.00 O ATOM 1291 CB HIS A 82 5.621 -13.456 -4.690 1.00 0.00 C ATOM 1292 CG HIS A 82 4.800 -14.647 -5.110 1.00 0.00 C ATOM 1293 ND1 HIS A 82 5.351 -15.721 -5.789 1.00 0.00 N ATOM 1294 CD2 HIS A 82 3.468 -14.942 -4.958 1.00 0.00 C ATOM 1295 CE1 HIS A 82 4.364 -16.605 -6.019 1.00 0.00 C ATOM 1296 NE2 HIS A 82 3.194 -16.179 -5.533 1.00 0.00 N ATOM 0 H HIS A 82 5.988 -11.927 -1.886 1.00 0.00 H new ATOM 0 HA HIS A 82 5.168 -13.918 -2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 82 5.046 -12.540 -4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.508 -13.375 -5.319 1.00 0.00 H new ATOM 0 HD2 HIS A 82 2.743 -14.310 -4.467 1.00 0.00 H new ATOM 0 HE1 HIS A 82 4.500 -17.545 -6.534 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.294 -16.658 -5.575 1.00 0.00 H new ATOM 1304 N ASP A 83 8.169 -14.551 -3.877 1.00 0.00 N ATOM 1305 CA ASP A 83 9.291 -15.533 -3.802 1.00 0.00 C ATOM 1306 C ASP A 83 9.841 -15.599 -2.370 1.00 0.00 C ATOM 1307 O ASP A 83 9.384 -16.380 -1.559 1.00 0.00 O ATOM 1308 CB ASP A 83 10.405 -15.091 -4.756 1.00 0.00 C ATOM 1309 CG ASP A 83 9.915 -15.193 -6.206 1.00 0.00 C ATOM 1310 OD1 ASP A 83 8.915 -15.859 -6.429 1.00 0.00 O ATOM 1311 OD2 ASP A 83 10.544 -14.601 -7.066 1.00 0.00 O ATOM 0 H ASP A 83 8.274 -13.834 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 83 8.926 -16.520 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.702 -14.066 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.287 -15.716 -4.615 1.00 0.00 H new ATOM 1316 N GLY A 84 10.818 -14.785 -2.055 1.00 0.00 N ATOM 1317 CA GLY A 84 11.401 -14.799 -0.677 1.00 0.00 C ATOM 1318 C GLY A 84 12.397 -15.957 -0.543 1.00 0.00 C ATOM 1319 O GLY A 84 12.760 -16.349 0.549 1.00 0.00 O ATOM 0 H GLY A 84 11.238 -14.110 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.902 -13.852 -0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.607 -14.904 0.062 1.00 0.00 H new ATOM 1323 N LEU A 85 12.849 -16.501 -1.649 1.00 0.00 N ATOM 1324 CA LEU A 85 13.840 -17.629 -1.603 1.00 0.00 C ATOM 1325 C LEU A 85 15.257 -17.039 -1.514 1.00 0.00 C ATOM 1326 O LEU A 85 16.235 -17.761 -1.448 1.00 0.00 O ATOM 1327 CB LEU A 85 13.728 -18.472 -2.896 1.00 0.00 C ATOM 1328 CG LEU A 85 12.526 -19.444 -2.835 1.00 0.00 C ATOM 1329 CD1 LEU A 85 12.742 -20.546 -1.762 1.00 0.00 C ATOM 1330 CD2 LEU A 85 11.234 -18.666 -2.529 1.00 0.00 C ATOM 0 H LEU A 85 12.573 -16.212 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 85 13.637 -18.260 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.619 -17.810 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.648 -19.038 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 85 12.439 -19.929 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.879 -21.212 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.637 -21.119 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.861 -20.082 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.393 -19.359 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.333 -18.159 -1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.059 -17.929 -3.313 1.00 0.00 H new ATOM 1342 N GLU A 86 15.373 -15.736 -1.532 1.00 0.00 N ATOM 1343 CA GLU A 86 16.723 -15.100 -1.469 1.00 0.00 C ATOM 1344 C GLU A 86 17.408 -15.487 -0.160 1.00 0.00 C ATOM 1345 O GLU A 86 16.856 -15.340 0.910 1.00 0.00 O ATOM 1346 CB GLU A 86 16.568 -13.576 -1.548 1.00 0.00 C ATOM 1347 CG GLU A 86 16.057 -13.187 -2.939 1.00 0.00 C ATOM 1348 CD GLU A 86 15.794 -11.676 -3.001 1.00 0.00 C ATOM 1349 OE1 GLU A 86 15.988 -11.013 -1.995 1.00 0.00 O ATOM 1350 OE2 GLU A 86 15.398 -11.210 -4.057 1.00 0.00 O ATOM 0 H GLU A 86 14.590 -15.084 -1.588 1.00 0.00 H new ATOM 0 HA GLU A 86 17.332 -15.444 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.872 -13.230 -0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.524 -13.092 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.790 -13.468 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.141 -13.733 -3.164 1.00 0.00 H new ATOM 1357 N HIS A 87 18.614 -15.989 -0.242 1.00 0.00 N ATOM 1358 CA HIS A 87 19.353 -16.401 0.989 1.00 0.00 C ATOM 1359 C HIS A 87 19.969 -15.167 1.651 1.00 0.00 C ATOM 1360 O HIS A 87 20.081 -14.119 1.048 1.00 0.00 O ATOM 1361 CB HIS A 87 20.463 -17.379 0.596 1.00 0.00 C ATOM 1362 CG HIS A 87 21.136 -17.919 1.829 1.00 0.00 C ATOM 1363 ND1 HIS A 87 22.244 -17.307 2.393 1.00 0.00 N ATOM 1364 CD2 HIS A 87 20.882 -19.023 2.607 1.00 0.00 C ATOM 1365 CE1 HIS A 87 22.614 -18.038 3.462 1.00 0.00 C ATOM 1366 NE2 HIS A 87 21.816 -19.096 3.638 1.00 0.00 N ATOM 0 H HIS A 87 19.121 -16.132 -1.115 1.00 0.00 H new ATOM 0 HA HIS A 87 18.669 -16.880 1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 87 20.046 -18.199 0.011 1.00 0.00 H new ATOM 0 HB3 HIS A 87 21.195 -16.876 -0.037 1.00 0.00 H new ATOM 0 HD2 HIS A 87 20.080 -19.727 2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 87 23.453 -17.799 4.099 1.00 0.00 H new ATOM 0 HE2 HIS A 87 21.878 -19.804 4.370 1.00 0.00 H new ATOM 1374 N HIS A 88 20.375 -15.282 2.891 1.00 0.00 N ATOM 1375 CA HIS A 88 20.994 -14.116 3.599 1.00 0.00 C ATOM 1376 C HIS A 88 21.986 -14.636 4.641 1.00 0.00 C ATOM 1377 O HIS A 88 21.788 -15.677 5.235 1.00 0.00 O ATOM 1378 CB HIS A 88 19.900 -13.300 4.292 1.00 0.00 C ATOM 1379 CG HIS A 88 19.109 -14.198 5.198 1.00 0.00 C ATOM 1380 ND1 HIS A 88 18.186 -15.108 4.710 1.00 0.00 N ATOM 1381 CD2 HIS A 88 19.094 -14.345 6.563 1.00 0.00 C ATOM 1382 CE1 HIS A 88 17.658 -15.757 5.763 1.00 0.00 C ATOM 1383 NE2 HIS A 88 18.176 -15.328 6.919 1.00 0.00 N ATOM 0 H HIS A 88 20.305 -16.135 3.446 1.00 0.00 H new ATOM 0 HA HIS A 88 21.514 -13.481 2.882 1.00 0.00 H new ATOM 0 HB2 HIS A 88 20.345 -12.487 4.865 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.244 -12.845 3.550 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.703 -13.783 7.256 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.908 -16.530 5.685 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.947 -15.652 7.859 1.00 0.00 H new ATOM 1391 N HIS A 89 23.064 -13.923 4.865 1.00 0.00 N ATOM 1392 CA HIS A 89 24.083 -14.375 5.865 1.00 0.00 C ATOM 1393 C HIS A 89 23.710 -13.854 7.252 1.00 0.00 C ATOM 1394 O HIS A 89 23.402 -12.693 7.430 1.00 0.00 O ATOM 1395 CB HIS A 89 25.457 -13.831 5.467 1.00 0.00 C ATOM 1396 CG HIS A 89 25.849 -14.412 4.138 1.00 0.00 C ATOM 1397 ND1 HIS A 89 26.200 -15.746 3.991 1.00 0.00 N ATOM 1398 CD2 HIS A 89 25.941 -13.860 2.886 1.00 0.00 C ATOM 1399 CE1 HIS A 89 26.481 -15.949 2.691 1.00 0.00 C ATOM 1400 NE2 HIS A 89 26.339 -14.833 1.973 1.00 0.00 N ATOM 0 H HIS A 89 23.283 -13.044 4.396 1.00 0.00 H new ATOM 0 HA HIS A 89 24.112 -15.464 5.887 1.00 0.00 H new ATOM 0 HB2 HIS A 89 25.428 -12.743 5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 89 26.198 -14.090 6.224 1.00 0.00 H new ATOM 0 HD2 HIS A 89 25.736 -12.827 2.645 1.00 0.00 H new ATOM 0 HE1 HIS A 89 26.785 -16.900 2.278 1.00 0.00 H new ATOM 0 HE2 HIS A 89 26.490 -14.718 0.971 1.00 0.00 H new ATOM 1408 N HIS A 90 23.739 -14.710 8.237 1.00 0.00 N ATOM 1409 CA HIS A 90 23.386 -14.278 9.618 1.00 0.00 C ATOM 1410 C HIS A 90 24.440 -13.291 10.130 1.00 0.00 C ATOM 1411 O HIS A 90 24.130 -12.345 10.826 1.00 0.00 O ATOM 1412 CB HIS A 90 23.345 -15.506 10.537 1.00 0.00 C ATOM 1413 CG HIS A 90 22.177 -16.379 10.164 1.00 0.00 C ATOM 1414 ND1 HIS A 90 22.244 -17.308 9.138 1.00 0.00 N ATOM 1415 CD2 HIS A 90 20.906 -16.472 10.672 1.00 0.00 C ATOM 1416 CE1 HIS A 90 21.045 -17.916 9.064 1.00 0.00 C ATOM 1417 NE2 HIS A 90 20.193 -17.443 9.977 1.00 0.00 N ATOM 0 H HIS A 90 23.993 -15.693 8.144 1.00 0.00 H new ATOM 0 HA HIS A 90 22.410 -13.793 9.612 1.00 0.00 H new ATOM 0 HB2 HIS A 90 24.274 -16.069 10.450 1.00 0.00 H new ATOM 0 HB3 HIS A 90 23.259 -15.191 11.577 1.00 0.00 H new ATOM 0 HD2 HIS A 90 20.518 -15.881 11.488 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.802 -18.692 8.353 1.00 0.00 H new ATOM 0 HE2 HIS A 90 19.227 -17.732 10.131 1.00 0.00 H new ATOM 1425 N HIS A 91 25.683 -13.515 9.801 1.00 0.00 N ATOM 1426 CA HIS A 91 26.759 -12.600 10.276 1.00 0.00 C ATOM 1427 C HIS A 91 26.535 -11.195 9.715 1.00 0.00 C ATOM 1428 O HIS A 91 26.725 -10.208 10.394 1.00 0.00 O ATOM 1429 CB HIS A 91 28.114 -13.125 9.798 1.00 0.00 C ATOM 1430 CG HIS A 91 28.384 -14.463 10.428 1.00 0.00 C ATOM 1431 ND1 HIS A 91 28.767 -14.595 11.753 1.00 0.00 N ATOM 1432 CD2 HIS A 91 28.330 -15.738 9.925 1.00 0.00 C ATOM 1433 CE1 HIS A 91 28.927 -15.909 11.999 1.00 0.00 C ATOM 1434 NE2 HIS A 91 28.673 -16.649 10.918 1.00 0.00 N ATOM 0 H HIS A 91 26.000 -14.293 9.223 1.00 0.00 H new ATOM 0 HA HIS A 91 26.740 -12.558 11.365 1.00 0.00 H new ATOM 0 HB2 HIS A 91 28.118 -13.215 8.712 1.00 0.00 H new ATOM 0 HB3 HIS A 91 28.903 -12.421 10.063 1.00 0.00 H new ATOM 0 HD2 HIS A 91 28.062 -15.995 8.911 1.00 0.00 H new ATOM 0 HE1 HIS A 91 29.225 -16.315 12.955 1.00 0.00 H new ATOM 0 HE2 HIS A 91 28.720 -17.665 10.837 1.00 0.00 H new ATOM 1442 N HIS A 92 26.139 -11.103 8.477 1.00 0.00 N ATOM 1443 CA HIS A 92 25.910 -9.764 7.863 1.00 0.00 C ATOM 1444 C HIS A 92 24.710 -9.092 8.535 1.00 0.00 C ATOM 1445 O HIS A 92 24.909 -8.463 9.562 1.00 0.00 O ATOM 1446 CB HIS A 92 25.636 -9.935 6.367 1.00 0.00 C ATOM 1447 CG HIS A 92 25.439 -8.589 5.725 1.00 0.00 C ATOM 1448 ND1 HIS A 92 26.497 -7.731 5.467 1.00 0.00 N ATOM 1449 CD2 HIS A 92 24.315 -7.944 5.270 1.00 0.00 C ATOM 1450 CE1 HIS A 92 25.994 -6.630 4.879 1.00 0.00 C ATOM 1451 NE2 HIS A 92 24.668 -6.709 4.735 1.00 0.00 N ATOM 1452 OXT HIS A 92 23.614 -9.216 8.014 1.00 0.00 O ATOM 0 H HIS A 92 25.963 -11.898 7.862 1.00 0.00 H new ATOM 0 HA HIS A 92 26.794 -9.141 8.001 1.00 0.00 H new ATOM 0 HB2 HIS A 92 26.468 -10.455 5.893 1.00 0.00 H new ATOM 0 HB3 HIS A 92 24.749 -10.551 6.219 1.00 0.00 H new ATOM 0 HD2 HIS A 92 23.310 -8.336 5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 92 26.589 -5.786 4.562 1.00 0.00 H new ATOM 0 HE2 HIS A 92 24.047 -6.013 4.321 1.00 0.00 H new TER 1460 HIS A 92