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= -1.14 K(o=-2.2,f=-7!) USER MOD Set 1.2: A 75 HIS : no HD1:sc= -1.08 K(o=-2.2,f=-3.5!) USER MOD Set 2.1: A 35 TYR OH : rot 180:sc= 0.0276 USER MOD Set 2.2: A 39 ASN :FLIP amide:sc= -1.48 F(o=-2,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= -0.648 (180deg=-2.65!) USER MOD Single : A 3 HIS : no HE2:sc= -0.233 K(o=-0.23,f=-1.3) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.484 X(o=-0.48,f=-0.96) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 12 MET CE :methyl 167:sc= -0.0475 (180deg=-0.389) USER MOD Single : A 14 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 15 SER OG : rot -39:sc= 0.827 USER MOD Single : A 24 SER OG : rot -58:sc= 1.04 USER MOD Single : A 30 SER OG : rot -168:sc= -0.335 USER MOD Single : A 34 SER OG : rot -23:sc= 0.477 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.781 K(o=-0.78,f=-4.3!) USER MOD Single : A 56 MET CE :methyl -162:sc= 0 (180deg=-0.523) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0707 (180deg=-0.616) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -3.29! C(o=-3.3!,f=-4.3!) USER MOD Single : A 68 SER OG : rot 180:sc= -0.275 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 135:sc= -0.108 (180deg=-0.639) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-1.7) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 88 HIS : no HD1:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 89 HIS : no HD1:sc= 0.657 K(o=0.66,f=-2.8!) USER MOD Single : A 90 HIS : no HE2:sc= -0.678 K(o=-0.68,f=-4.4!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.137 -11.730 0.528 1.00 0.00 N ATOM 2 CA MET A 1 -23.384 -10.489 0.871 1.00 0.00 C ATOM 3 C MET A 1 -21.941 -10.856 1.243 1.00 0.00 C ATOM 4 O MET A 1 -21.570 -10.823 2.400 1.00 0.00 O ATOM 5 CB MET A 1 -24.055 -9.793 2.059 1.00 0.00 C ATOM 6 CG MET A 1 -25.526 -9.512 1.734 1.00 0.00 C ATOM 7 SD MET A 1 -25.631 -8.290 0.396 1.00 0.00 S ATOM 8 CE MET A 1 -25.689 -6.798 1.422 1.00 0.00 C ATOM 0 H1 MET A 1 -24.781 -11.537 -0.266 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.468 -12.478 0.257 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.688 -12.041 1.353 1.00 0.00 H new ATOM 0 HA MET A 1 -23.381 -9.817 0.013 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.983 -10.420 2.948 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.538 -8.860 2.285 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.026 -10.434 1.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.040 -9.141 2.620 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.756 -5.918 0.782 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.561 -6.839 2.075 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.785 -6.738 2.028 1.00 0.00 H new ATOM 20 N PRO A 2 -21.131 -11.210 0.272 1.00 0.00 N ATOM 21 CA PRO A 2 -19.703 -11.595 0.515 1.00 0.00 C ATOM 22 C PRO A 2 -18.881 -10.448 1.128 1.00 0.00 C ATOM 23 O PRO A 2 -19.096 -9.288 0.831 1.00 0.00 O ATOM 24 CB PRO A 2 -19.172 -11.979 -0.894 1.00 0.00 C ATOM 25 CG PRO A 2 -20.404 -12.240 -1.712 1.00 0.00 C ATOM 26 CD PRO A 2 -21.472 -11.293 -1.161 1.00 0.00 C ATOM 0 HA PRO A 2 -19.620 -12.408 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -18.575 -11.175 -1.324 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -18.533 -12.861 -0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -20.220 -12.050 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -20.719 -13.280 -1.625 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -21.433 -10.316 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -22.478 -11.685 -1.315 1.00 0.00 H new ATOM 34 N HIS A 3 -17.935 -10.771 1.968 1.00 0.00 N ATOM 35 CA HIS A 3 -17.086 -9.714 2.589 1.00 0.00 C ATOM 36 C HIS A 3 -15.887 -10.373 3.273 1.00 0.00 C ATOM 37 O HIS A 3 -16.037 -11.256 4.096 1.00 0.00 O ATOM 38 CB HIS A 3 -17.898 -8.935 3.622 1.00 0.00 C ATOM 39 CG HIS A 3 -17.057 -7.819 4.179 1.00 0.00 C ATOM 40 ND1 HIS A 3 -16.277 -7.976 5.314 1.00 0.00 N ATOM 41 CD2 HIS A 3 -16.861 -6.526 3.765 1.00 0.00 C ATOM 42 CE1 HIS A 3 -15.655 -6.806 5.543 1.00 0.00 C ATOM 43 NE2 HIS A 3 -15.976 -5.887 4.629 1.00 0.00 N ATOM 0 H HIS A 3 -17.713 -11.725 2.252 1.00 0.00 H new ATOM 0 HA HIS A 3 -16.740 -9.027 1.817 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -18.800 -8.531 3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -18.219 -9.599 4.425 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -16.191 -8.824 5.874 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -17.323 -6.073 2.900 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -14.978 -6.631 6.366 1.00 0.00 H new ATOM 51 N LYS A 4 -14.694 -9.954 2.942 1.00 0.00 N ATOM 52 CA LYS A 4 -13.479 -10.558 3.570 1.00 0.00 C ATOM 53 C LYS A 4 -13.237 -9.916 4.937 1.00 0.00 C ATOM 54 O LYS A 4 -12.950 -8.739 5.038 1.00 0.00 O ATOM 55 CB LYS A 4 -12.269 -10.310 2.665 1.00 0.00 C ATOM 56 CG LYS A 4 -12.434 -11.098 1.363 1.00 0.00 C ATOM 57 CD LYS A 4 -11.232 -10.842 0.450 1.00 0.00 C ATOM 58 CE LYS A 4 -11.396 -11.640 -0.845 1.00 0.00 C ATOM 59 NZ LYS A 4 -10.231 -11.387 -1.736 1.00 0.00 N ATOM 0 H LYS A 4 -14.507 -9.217 2.262 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.627 -11.630 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.175 -9.246 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.354 -10.614 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.519 -12.163 1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.355 -10.801 0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.152 -9.778 0.226 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.310 -11.132 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.472 -12.704 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.320 -11.353 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.343 -11.930 -2.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.178 -10.373 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.357 -11.682 -1.256 1.00 0.00 H new ATOM 73 N GLU A 5 -13.348 -10.682 5.990 1.00 0.00 N ATOM 74 CA GLU A 5 -13.123 -10.120 7.352 1.00 0.00 C ATOM 75 C GLU A 5 -11.640 -9.783 7.520 1.00 0.00 C ATOM 76 O GLU A 5 -11.281 -8.795 8.127 1.00 0.00 O ATOM 77 CB GLU A 5 -13.542 -11.158 8.399 1.00 0.00 C ATOM 78 CG GLU A 5 -13.430 -10.558 9.805 1.00 0.00 C ATOM 79 CD GLU A 5 -13.934 -11.570 10.840 1.00 0.00 C ATOM 80 OE1 GLU A 5 -14.117 -12.722 10.479 1.00 0.00 O ATOM 81 OE2 GLU A 5 -14.129 -11.176 11.978 1.00 0.00 O ATOM 0 H GLU A 5 -13.585 -11.674 5.965 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.715 -9.214 7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.566 -11.481 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.909 -12.042 8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.394 -10.293 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.013 -9.639 9.866 1.00 0.00 H new ATOM 88 N LYS A 6 -10.772 -10.603 6.983 1.00 0.00 N ATOM 89 CA LYS A 6 -9.303 -10.344 7.098 1.00 0.00 C ATOM 90 C LYS A 6 -8.579 -11.105 5.984 1.00 0.00 C ATOM 91 O LYS A 6 -7.763 -10.558 5.270 1.00 0.00 O ATOM 92 CB LYS A 6 -8.812 -10.831 8.467 1.00 0.00 C ATOM 93 CG LYS A 6 -7.342 -10.441 8.658 1.00 0.00 C ATOM 94 CD LYS A 6 -6.877 -10.868 10.051 1.00 0.00 C ATOM 95 CE LYS A 6 -5.416 -10.461 10.250 1.00 0.00 C ATOM 96 NZ LYS A 6 -4.965 -10.863 11.612 1.00 0.00 N ATOM 0 H LYS A 6 -11.019 -11.447 6.466 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.099 -9.277 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.420 -10.393 9.259 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.924 -11.913 8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.726 -10.918 7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.222 -9.364 8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.502 -10.402 10.813 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.984 -11.947 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.790 -10.935 9.494 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.308 -9.384 10.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.972 -10.585 11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.555 -10.391 12.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.053 -11.894 11.717 1.00 0.00 H new ATOM 110 N HIS A 7 -8.889 -12.361 5.822 1.00 0.00 N ATOM 111 CA HIS A 7 -8.242 -13.178 4.747 1.00 0.00 C ATOM 112 C HIS A 7 -6.707 -13.160 4.940 1.00 0.00 C ATOM 113 O HIS A 7 -6.197 -12.430 5.767 1.00 0.00 O ATOM 114 CB HIS A 7 -8.634 -12.591 3.347 1.00 0.00 C ATOM 115 CG HIS A 7 -9.398 -13.602 2.525 1.00 0.00 C ATOM 116 ND1 HIS A 7 -9.079 -13.876 1.206 1.00 0.00 N ATOM 117 CD2 HIS A 7 -10.475 -14.396 2.824 1.00 0.00 C ATOM 118 CE1 HIS A 7 -9.948 -14.802 0.762 1.00 0.00 C ATOM 119 NE2 HIS A 7 -10.822 -15.155 1.709 1.00 0.00 N ATOM 0 H HIS A 7 -9.569 -12.865 6.392 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.586 -14.211 4.803 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.240 -11.695 3.482 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.734 -12.289 2.812 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.978 -14.428 3.779 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.940 -15.210 -0.238 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -11.580 -15.834 1.632 1.00 0.00 H new ATOM 127 N PRO A 8 -5.971 -13.954 4.177 1.00 0.00 N ATOM 128 CA PRO A 8 -4.473 -13.995 4.284 1.00 0.00 C ATOM 129 C PRO A 8 -3.841 -12.615 4.031 1.00 0.00 C ATOM 130 O PRO A 8 -4.302 -11.853 3.204 1.00 0.00 O ATOM 131 CB PRO A 8 -4.043 -15.010 3.189 1.00 0.00 C ATOM 132 CG PRO A 8 -5.268 -15.836 2.925 1.00 0.00 C ATOM 133 CD PRO A 8 -6.463 -14.897 3.147 1.00 0.00 C ATOM 0 HA PRO A 8 -4.144 -14.283 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.709 -14.499 2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.214 -15.631 3.529 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.263 -16.229 1.908 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.314 -16.693 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.743 -14.380 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.344 -15.441 3.488 1.00 0.00 H new ATOM 141 N LEU A 9 -2.793 -12.290 4.741 1.00 0.00 N ATOM 142 CA LEU A 9 -2.137 -10.967 4.541 1.00 0.00 C ATOM 143 C LEU A 9 -1.580 -10.892 3.112 1.00 0.00 C ATOM 144 O LEU A 9 -1.721 -9.895 2.434 1.00 0.00 O ATOM 145 CB LEU A 9 -0.982 -10.816 5.555 1.00 0.00 C ATOM 146 CG LEU A 9 -1.526 -10.420 6.937 1.00 0.00 C ATOM 147 CD1 LEU A 9 -2.506 -11.492 7.447 1.00 0.00 C ATOM 148 CD2 LEU A 9 -0.351 -10.285 7.913 1.00 0.00 C ATOM 0 H LEU A 9 -2.364 -12.884 5.450 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.861 -10.166 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.431 -11.754 5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.279 -10.060 5.204 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.056 -9.471 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.885 -11.202 8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.338 -11.586 6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.990 -12.449 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.726 -10.004 8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.175 -11.237 7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.334 -9.518 7.553 1.00 0.00 H new ATOM 160 N GLN A 10 -0.947 -11.939 2.654 1.00 0.00 N ATOM 161 CA GLN A 10 -0.374 -11.920 1.277 1.00 0.00 C ATOM 162 C GLN A 10 -1.498 -11.786 0.250 1.00 0.00 C ATOM 163 O GLN A 10 -1.430 -10.979 -0.654 1.00 0.00 O ATOM 164 CB GLN A 10 0.396 -13.223 1.030 1.00 0.00 C ATOM 165 CG GLN A 10 1.082 -13.167 -0.338 1.00 0.00 C ATOM 166 CD GLN A 10 1.939 -14.419 -0.531 1.00 0.00 C ATOM 167 OE1 GLN A 10 1.502 -15.517 -0.251 1.00 0.00 O ATOM 168 NE2 GLN A 10 3.150 -14.301 -1.002 1.00 0.00 N ATOM 0 H GLN A 10 -0.802 -12.805 3.173 1.00 0.00 H new ATOM 0 HA GLN A 10 0.303 -11.071 1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.139 -13.372 1.814 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.286 -14.073 1.071 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.335 -13.099 -1.129 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.703 -12.274 -0.409 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.518 -13.379 -1.238 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.729 -15.130 -1.135 1.00 0.00 H new ATOM 177 N ASP A 11 -2.531 -12.568 0.380 1.00 0.00 N ATOM 178 CA ASP A 11 -3.657 -12.481 -0.592 1.00 0.00 C ATOM 179 C ASP A 11 -4.310 -11.103 -0.489 1.00 0.00 C ATOM 180 O ASP A 11 -4.755 -10.540 -1.468 1.00 0.00 O ATOM 181 CB ASP A 11 -4.689 -13.563 -0.274 1.00 0.00 C ATOM 182 CG ASP A 11 -5.784 -13.572 -1.348 1.00 0.00 C ATOM 183 OD1 ASP A 11 -5.786 -12.680 -2.182 1.00 0.00 O ATOM 184 OD2 ASP A 11 -6.604 -14.477 -1.318 1.00 0.00 O ATOM 0 H ASP A 11 -2.646 -13.264 1.117 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.279 -12.629 -1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.204 -14.538 -0.229 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.130 -13.380 0.706 1.00 0.00 H new ATOM 189 N MET A 12 -4.378 -10.561 0.697 1.00 0.00 N ATOM 190 CA MET A 12 -5.010 -9.223 0.874 1.00 0.00 C ATOM 191 C MET A 12 -4.201 -8.157 0.126 1.00 0.00 C ATOM 192 O MET A 12 -4.699 -7.506 -0.770 1.00 0.00 O ATOM 193 CB MET A 12 -5.045 -8.888 2.367 1.00 0.00 C ATOM 194 CG MET A 12 -5.833 -7.597 2.590 1.00 0.00 C ATOM 195 SD MET A 12 -5.966 -7.278 4.368 1.00 0.00 S ATOM 196 CE MET A 12 -7.141 -5.906 4.269 1.00 0.00 C ATOM 0 H MET A 12 -4.022 -10.988 1.552 1.00 0.00 H new ATOM 0 HA MET A 12 -6.023 -9.241 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.505 -9.706 2.922 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.030 -8.776 2.748 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.335 -6.763 2.095 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.826 -7.682 2.149 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.544 -5.699 5.261 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.633 -5.019 3.891 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.955 -6.172 3.595 1.00 0.00 H new ATOM 206 N PHE A 13 -2.958 -7.972 0.486 1.00 0.00 N ATOM 207 CA PHE A 13 -2.127 -6.944 -0.206 1.00 0.00 C ATOM 208 C PHE A 13 -1.919 -7.339 -1.671 1.00 0.00 C ATOM 209 O PHE A 13 -1.941 -6.505 -2.554 1.00 0.00 O ATOM 210 CB PHE A 13 -0.763 -6.815 0.489 1.00 0.00 C ATOM 211 CG PHE A 13 -0.941 -6.219 1.875 1.00 0.00 C ATOM 212 CD1 PHE A 13 -1.365 -4.889 2.009 1.00 0.00 C ATOM 213 CD2 PHE A 13 -0.686 -6.986 3.027 1.00 0.00 C ATOM 214 CE1 PHE A 13 -1.532 -4.329 3.281 1.00 0.00 C ATOM 215 CE2 PHE A 13 -0.854 -6.421 4.297 1.00 0.00 C ATOM 216 CZ PHE A 13 -1.278 -5.094 4.423 1.00 0.00 C ATOM 0 H PHE A 13 -2.484 -8.487 1.228 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.645 -5.986 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.289 -7.794 0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.101 -6.185 -0.105 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.563 -4.295 1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.360 -8.011 2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.858 -3.304 3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.656 -7.010 5.180 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.409 -4.660 5.403 1.00 0.00 H new ATOM 226 N THR A 14 -1.703 -8.596 -1.940 1.00 0.00 N ATOM 227 CA THR A 14 -1.477 -9.028 -3.351 1.00 0.00 C ATOM 228 C THR A 14 -2.710 -8.703 -4.199 1.00 0.00 C ATOM 229 O THR A 14 -2.600 -8.192 -5.296 1.00 0.00 O ATOM 230 CB THR A 14 -1.209 -10.538 -3.393 1.00 0.00 C ATOM 231 OG1 THR A 14 -0.046 -10.830 -2.629 1.00 0.00 O ATOM 232 CG2 THR A 14 -0.990 -10.994 -4.842 1.00 0.00 C ATOM 0 H THR A 14 -1.673 -9.343 -1.246 1.00 0.00 H new ATOM 0 HA THR A 14 -0.615 -8.496 -3.752 1.00 0.00 H new ATOM 0 HB THR A 14 -2.068 -11.065 -2.978 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.269 -10.814 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.801 -12.067 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.879 -10.772 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.134 -10.467 -5.264 1.00 0.00 H new ATOM 240 N SER A 15 -3.883 -8.998 -3.709 1.00 0.00 N ATOM 241 CA SER A 15 -5.111 -8.708 -4.503 1.00 0.00 C ATOM 242 C SER A 15 -5.224 -7.206 -4.760 1.00 0.00 C ATOM 243 O SER A 15 -5.547 -6.778 -5.851 1.00 0.00 O ATOM 244 CB SER A 15 -6.346 -9.166 -3.726 1.00 0.00 C ATOM 245 OG SER A 15 -6.395 -8.486 -2.479 1.00 0.00 O ATOM 0 H SER A 15 -4.044 -9.426 -2.797 1.00 0.00 H new ATOM 0 HA SER A 15 -5.048 -9.240 -5.452 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.249 -8.960 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.309 -10.243 -3.565 1.00 0.00 H new ATOM 0 HG SER A 15 -5.489 -8.409 -2.113 1.00 0.00 H new ATOM 251 N ALA A 16 -4.973 -6.402 -3.764 1.00 0.00 N ATOM 252 CA ALA A 16 -5.084 -4.926 -3.946 1.00 0.00 C ATOM 253 C ALA A 16 -3.914 -4.394 -4.773 1.00 0.00 C ATOM 254 O ALA A 16 -4.101 -3.631 -5.697 1.00 0.00 O ATOM 255 CB ALA A 16 -5.084 -4.251 -2.575 1.00 0.00 C ATOM 0 H ALA A 16 -4.695 -6.703 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.012 -4.705 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.165 -3.171 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.931 -4.613 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.156 -4.487 -2.053 1.00 0.00 H new ATOM 261 N ILE A 17 -2.712 -4.772 -4.440 1.00 0.00 N ATOM 262 CA ILE A 17 -1.535 -4.267 -5.204 1.00 0.00 C ATOM 263 C ILE A 17 -1.621 -4.749 -6.655 1.00 0.00 C ATOM 264 O ILE A 17 -1.397 -3.998 -7.581 1.00 0.00 O ATOM 265 CB ILE A 17 -0.249 -4.803 -4.544 1.00 0.00 C ATOM 266 CG1 ILE A 17 -0.101 -4.177 -3.143 1.00 0.00 C ATOM 267 CG2 ILE A 17 0.981 -4.436 -5.401 1.00 0.00 C ATOM 268 CD1 ILE A 17 1.000 -4.902 -2.362 1.00 0.00 C ATOM 0 H ILE A 17 -2.492 -5.408 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.523 -3.177 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.313 -5.888 -4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.141 -3.118 -3.232 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.046 -4.244 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.884 -4.820 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.878 -4.877 -6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.051 -3.352 -5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.099 -4.455 -1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.740 -5.955 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.945 -4.812 -2.897 1.00 0.00 H new ATOM 280 N GLU A 18 -1.945 -5.996 -6.857 1.00 0.00 N ATOM 281 CA GLU A 18 -2.035 -6.530 -8.244 1.00 0.00 C ATOM 282 C GLU A 18 -3.197 -5.863 -8.986 1.00 0.00 C ATOM 283 O GLU A 18 -3.127 -5.624 -10.175 1.00 0.00 O ATOM 284 CB GLU A 18 -2.260 -8.041 -8.185 1.00 0.00 C ATOM 285 CG GLU A 18 -2.203 -8.633 -9.596 1.00 0.00 C ATOM 286 CD GLU A 18 -2.337 -10.158 -9.521 1.00 0.00 C ATOM 287 OE1 GLU A 18 -2.702 -10.652 -8.465 1.00 0.00 O ATOM 288 OE2 GLU A 18 -2.074 -10.805 -10.520 1.00 0.00 O ATOM 0 H GLU A 18 -2.152 -6.669 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.108 -6.317 -8.776 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.501 -8.506 -7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.227 -8.256 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.004 -8.217 -10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.262 -8.364 -10.076 1.00 0.00 H new ATOM 295 N ALA A 19 -4.267 -5.568 -8.301 1.00 0.00 N ATOM 296 CA ALA A 19 -5.430 -4.926 -8.976 1.00 0.00 C ATOM 297 C ALA A 19 -5.032 -3.548 -9.507 1.00 0.00 C ATOM 298 O ALA A 19 -5.450 -3.149 -10.575 1.00 0.00 O ATOM 299 CB ALA A 19 -6.576 -4.772 -7.974 1.00 0.00 C ATOM 0 H ALA A 19 -4.386 -5.744 -7.303 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.750 -5.551 -9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.428 -4.302 -8.465 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.868 -5.754 -7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.250 -4.150 -7.141 1.00 0.00 H new ATOM 305 N VAL A 20 -4.229 -2.814 -8.761 1.00 0.00 N ATOM 306 CA VAL A 20 -3.790 -1.442 -9.201 1.00 0.00 C ATOM 307 C VAL A 20 -2.298 -1.462 -9.551 1.00 0.00 C ATOM 308 O VAL A 20 -1.685 -0.427 -9.728 1.00 0.00 O ATOM 309 CB VAL A 20 -4.061 -0.431 -8.071 1.00 0.00 C ATOM 310 CG1 VAL A 20 -5.511 -0.585 -7.601 1.00 0.00 C ATOM 311 CG2 VAL A 20 -3.104 -0.666 -6.884 1.00 0.00 C ATOM 0 H VAL A 20 -3.856 -3.110 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.352 -1.145 -10.086 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.894 0.577 -8.451 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.712 0.127 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.186 -0.393 -8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.668 -1.599 -7.232 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.314 0.060 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.248 -1.674 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.073 -0.550 -7.219 1.00 0.00 H new ATOM 321 N ALA A 21 -1.701 -2.622 -9.653 1.00 0.00 N ATOM 322 CA ALA A 21 -0.249 -2.680 -9.996 1.00 0.00 C ATOM 323 C ALA A 21 -0.039 -2.013 -11.358 1.00 0.00 C ATOM 324 O ALA A 21 1.045 -1.561 -11.669 1.00 0.00 O ATOM 325 CB ALA A 21 0.220 -4.146 -10.059 1.00 0.00 C ATOM 0 H ALA A 21 -2.153 -3.526 -9.515 1.00 0.00 H new ATOM 0 HA ALA A 21 0.329 -2.160 -9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.280 -4.178 -10.310 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.062 -4.621 -9.091 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.350 -4.678 -10.821 1.00 0.00 H new ATOM 331 N ARG A 22 -1.068 -1.955 -12.172 1.00 0.00 N ATOM 332 CA ARG A 22 -0.931 -1.315 -13.518 1.00 0.00 C ATOM 333 C ARG A 22 0.274 -1.916 -14.262 1.00 0.00 C ATOM 334 O ARG A 22 0.898 -1.270 -15.080 1.00 0.00 O ATOM 335 CB ARG A 22 -0.730 0.197 -13.337 1.00 0.00 C ATOM 336 CG ARG A 22 -2.045 0.887 -12.904 1.00 0.00 C ATOM 337 CD ARG A 22 -1.752 2.321 -12.379 1.00 0.00 C ATOM 338 NE ARG A 22 -2.909 3.226 -12.697 1.00 0.00 N ATOM 339 CZ ARG A 22 -3.179 4.286 -11.970 1.00 0.00 C ATOM 340 NH1 ARG A 22 -2.580 4.496 -10.828 1.00 0.00 N ATOM 341 NH2 ARG A 22 -4.084 5.127 -12.389 1.00 0.00 N ATOM 0 H ARG A 22 -1.996 -2.323 -11.961 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.833 -1.497 -14.103 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.042 0.377 -12.589 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.377 0.634 -14.271 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.734 0.934 -13.747 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.533 0.300 -12.126 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.583 2.297 -11.302 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.841 2.706 -12.836 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.501 3.011 -13.499 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.888 3.830 -10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.805 5.326 -10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.570 4.956 -13.269 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.306 5.955 -11.836 1.00 0.00 H new ATOM 355 N ASP A 23 0.596 -3.147 -13.981 1.00 0.00 N ATOM 356 CA ASP A 23 1.748 -3.809 -14.662 1.00 0.00 C ATOM 357 C ASP A 23 3.026 -2.982 -14.481 1.00 0.00 C ATOM 358 O ASP A 23 4.047 -3.271 -15.072 1.00 0.00 O ATOM 359 CB ASP A 23 1.438 -3.962 -16.157 1.00 0.00 C ATOM 360 CG ASP A 23 2.473 -4.890 -16.805 1.00 0.00 C ATOM 361 OD1 ASP A 23 2.542 -6.038 -16.400 1.00 0.00 O ATOM 362 OD2 ASP A 23 3.177 -4.435 -17.692 1.00 0.00 O ATOM 0 H ASP A 23 0.107 -3.730 -13.302 1.00 0.00 H new ATOM 0 HA ASP A 23 1.904 -4.792 -14.217 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.436 -4.369 -16.291 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.454 -2.987 -16.644 1.00 0.00 H new ATOM 367 N SER A 24 2.992 -1.963 -13.660 1.00 0.00 N ATOM 368 CA SER A 24 4.219 -1.131 -13.436 1.00 0.00 C ATOM 369 C SER A 24 5.041 -1.758 -12.307 1.00 0.00 C ATOM 370 O SER A 24 6.114 -1.300 -11.974 1.00 0.00 O ATOM 371 CB SER A 24 3.805 0.286 -13.038 1.00 0.00 C ATOM 372 OG SER A 24 3.138 0.246 -11.783 1.00 0.00 O ATOM 0 H SER A 24 2.169 -1.669 -13.134 1.00 0.00 H new ATOM 0 HA SER A 24 4.813 -1.090 -14.349 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.683 0.930 -12.976 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.150 0.713 -13.798 1.00 0.00 H new ATOM 0 HG SER A 24 2.355 -0.339 -11.847 1.00 0.00 H new ATOM 378 N GLY A 25 4.531 -2.808 -11.711 1.00 0.00 N ATOM 379 CA GLY A 25 5.258 -3.483 -10.591 1.00 0.00 C ATOM 380 C GLY A 25 4.963 -2.750 -9.283 1.00 0.00 C ATOM 381 O GLY A 25 4.447 -3.321 -8.343 1.00 0.00 O ATOM 0 H GLY A 25 3.635 -3.230 -11.955 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.947 -4.525 -10.516 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.330 -3.484 -10.787 1.00 0.00 H new ATOM 385 N TRP A 26 5.285 -1.486 -9.218 1.00 0.00 N ATOM 386 CA TRP A 26 5.023 -0.703 -7.971 1.00 0.00 C ATOM 387 C TRP A 26 3.529 -0.386 -7.873 1.00 0.00 C ATOM 388 O TRP A 26 2.756 -0.702 -8.754 1.00 0.00 O ATOM 389 CB TRP A 26 5.823 0.604 -8.010 1.00 0.00 C ATOM 390 CG TRP A 26 7.286 0.296 -7.915 1.00 0.00 C ATOM 391 CD1 TRP A 26 8.168 0.366 -8.940 1.00 0.00 C ATOM 392 CD2 TRP A 26 8.050 -0.133 -6.749 1.00 0.00 C ATOM 393 NE1 TRP A 26 9.423 0.011 -8.477 1.00 0.00 N ATOM 394 CE2 TRP A 26 9.401 -0.306 -7.133 1.00 0.00 C ATOM 395 CE3 TRP A 26 7.704 -0.386 -5.409 1.00 0.00 C ATOM 396 CZ2 TRP A 26 10.374 -0.715 -6.220 1.00 0.00 C ATOM 397 CZ3 TRP A 26 8.682 -0.796 -4.487 1.00 0.00 C ATOM 398 CH2 TRP A 26 10.014 -0.960 -4.893 1.00 0.00 C ATOM 0 H TRP A 26 5.719 -0.959 -9.976 1.00 0.00 H new ATOM 0 HA TRP A 26 5.328 -1.288 -7.103 1.00 0.00 H new ATOM 0 HB2 TRP A 26 5.613 1.144 -8.933 1.00 0.00 H new ATOM 0 HB3 TRP A 26 5.522 1.252 -7.186 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.931 0.652 -9.954 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.261 -0.014 -9.057 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.680 -0.264 -5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 11.399 -0.841 -6.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.406 -0.986 -3.460 1.00 0.00 H new ATOM 0 HH2 TRP A 26 10.761 -1.276 -4.180 1.00 0.00 H new ATOM 409 N ALA A 27 3.119 0.250 -6.806 1.00 0.00 N ATOM 410 CA ALA A 27 1.678 0.606 -6.641 1.00 0.00 C ATOM 411 C ALA A 27 1.561 1.733 -5.611 1.00 0.00 C ATOM 412 O ALA A 27 2.216 1.721 -4.590 1.00 0.00 O ATOM 413 CB ALA A 27 0.906 -0.622 -6.152 1.00 0.00 C ATOM 0 H ALA A 27 3.724 0.540 -6.038 1.00 0.00 H new ATOM 0 HA ALA A 27 1.263 0.935 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.146 -0.366 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.002 -1.426 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.312 -0.950 -5.195 1.00 0.00 H new ATOM 419 N GLU A 28 0.736 2.708 -5.875 1.00 0.00 N ATOM 420 CA GLU A 28 0.588 3.838 -4.913 1.00 0.00 C ATOM 421 C GLU A 28 -0.111 3.340 -3.647 1.00 0.00 C ATOM 422 O GLU A 28 -1.173 2.756 -3.703 1.00 0.00 O ATOM 423 CB GLU A 28 -0.245 4.949 -5.560 1.00 0.00 C ATOM 424 CG GLU A 28 -0.261 6.181 -4.649 1.00 0.00 C ATOM 425 CD GLU A 28 -1.037 7.314 -5.326 1.00 0.00 C ATOM 426 OE1 GLU A 28 -1.279 7.214 -6.520 1.00 0.00 O ATOM 427 OE2 GLU A 28 -1.373 8.265 -4.641 1.00 0.00 O ATOM 0 H GLU A 28 0.159 2.772 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 28 1.571 4.229 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.172 5.210 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.263 4.600 -5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.722 5.932 -3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.759 6.502 -4.437 1.00 0.00 H new ATOM 434 N LEU A 29 0.487 3.553 -2.506 1.00 0.00 N ATOM 435 CA LEU A 29 -0.131 3.077 -1.237 1.00 0.00 C ATOM 436 C LEU A 29 -1.527 3.685 -1.084 1.00 0.00 C ATOM 437 O LEU A 29 -2.450 3.024 -0.649 1.00 0.00 O ATOM 438 CB LEU A 29 0.754 3.500 -0.052 1.00 0.00 C ATOM 439 CG LEU A 29 0.166 3.011 1.290 1.00 0.00 C ATOM 440 CD1 LEU A 29 0.091 1.468 1.329 1.00 0.00 C ATOM 441 CD2 LEU A 29 1.063 3.516 2.429 1.00 0.00 C ATOM 0 H LEU A 29 1.378 4.037 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.216 1.991 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.757 3.094 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.849 4.586 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.846 3.401 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.326 1.148 2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.545 1.114 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.092 1.052 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.662 3.179 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.071 3.122 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.094 4.605 2.412 1.00 0.00 H new ATOM 453 N SER A 30 -1.696 4.931 -1.430 1.00 0.00 N ATOM 454 CA SER A 30 -3.042 5.560 -1.291 1.00 0.00 C ATOM 455 C SER A 30 -4.061 4.749 -2.098 1.00 0.00 C ATOM 456 O SER A 30 -5.161 4.495 -1.649 1.00 0.00 O ATOM 457 CB SER A 30 -2.996 6.989 -1.830 1.00 0.00 C ATOM 458 OG SER A 30 -2.858 6.952 -3.244 1.00 0.00 O ATOM 0 H SER A 30 -0.966 5.539 -1.801 1.00 0.00 H new ATOM 0 HA SER A 30 -3.331 5.577 -0.240 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.906 7.523 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.161 7.531 -1.385 1.00 0.00 H new ATOM 0 HG SER A 30 -2.637 7.848 -3.575 1.00 0.00 H new ATOM 464 N ALA A 31 -3.701 4.333 -3.280 1.00 0.00 N ATOM 465 CA ALA A 31 -4.644 3.531 -4.107 1.00 0.00 C ATOM 466 C ALA A 31 -4.915 2.190 -3.419 1.00 0.00 C ATOM 467 O ALA A 31 -6.019 1.684 -3.443 1.00 0.00 O ATOM 468 CB ALA A 31 -4.028 3.281 -5.485 1.00 0.00 C ATOM 0 H ALA A 31 -2.794 4.514 -3.709 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.581 4.077 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.718 2.694 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.835 4.235 -5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.091 2.736 -5.371 1.00 0.00 H new ATOM 474 N VAL A 32 -3.913 1.607 -2.814 1.00 0.00 N ATOM 475 CA VAL A 32 -4.115 0.295 -2.132 1.00 0.00 C ATOM 476 C VAL A 32 -5.125 0.462 -0.990 1.00 0.00 C ATOM 477 O VAL A 32 -6.053 -0.310 -0.852 1.00 0.00 O ATOM 478 CB VAL A 32 -2.770 -0.194 -1.572 1.00 0.00 C ATOM 479 CG1 VAL A 32 -2.966 -1.492 -0.771 1.00 0.00 C ATOM 480 CG2 VAL A 32 -1.803 -0.449 -2.734 1.00 0.00 C ATOM 0 H VAL A 32 -2.966 1.982 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.499 -0.436 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.360 0.568 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.005 -1.827 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.651 -1.309 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.381 -2.262 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.847 -0.796 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.221 -1.208 -3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.652 0.475 -3.292 1.00 0.00 H new ATOM 490 N GLY A 33 -4.946 1.458 -0.164 1.00 0.00 N ATOM 491 CA GLY A 33 -5.891 1.657 0.970 1.00 0.00 C ATOM 492 C GLY A 33 -7.303 1.901 0.436 1.00 0.00 C ATOM 493 O GLY A 33 -8.267 1.366 0.946 1.00 0.00 O ATOM 0 H GLY A 33 -4.189 2.139 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.885 0.780 1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.571 2.504 1.577 1.00 0.00 H new ATOM 497 N SER A 34 -7.436 2.697 -0.590 1.00 0.00 N ATOM 498 CA SER A 34 -8.791 2.963 -1.152 1.00 0.00 C ATOM 499 C SER A 34 -9.365 1.680 -1.764 1.00 0.00 C ATOM 500 O SER A 34 -10.536 1.385 -1.623 1.00 0.00 O ATOM 501 CB SER A 34 -8.687 4.041 -2.231 1.00 0.00 C ATOM 502 OG SER A 34 -7.802 3.595 -3.251 1.00 0.00 O ATOM 0 H SER A 34 -6.668 3.173 -1.062 1.00 0.00 H new ATOM 0 HA SER A 34 -9.451 3.303 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.671 4.248 -2.651 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.323 4.973 -1.798 1.00 0.00 H new ATOM 0 HG SER A 34 -7.195 2.918 -2.885 1.00 0.00 H new ATOM 508 N TYR A 35 -8.552 0.919 -2.447 1.00 0.00 N ATOM 509 CA TYR A 35 -9.052 -0.341 -3.074 1.00 0.00 C ATOM 510 C TYR A 35 -9.561 -1.285 -1.985 1.00 0.00 C ATOM 511 O TYR A 35 -10.609 -1.888 -2.111 1.00 0.00 O ATOM 512 CB TYR A 35 -7.912 -1.015 -3.843 1.00 0.00 C ATOM 513 CG TYR A 35 -8.408 -2.301 -4.478 1.00 0.00 C ATOM 514 CD1 TYR A 35 -8.997 -2.270 -5.750 1.00 0.00 C ATOM 515 CD2 TYR A 35 -8.272 -3.523 -3.803 1.00 0.00 C ATOM 516 CE1 TYR A 35 -9.449 -3.457 -6.344 1.00 0.00 C ATOM 517 CE2 TYR A 35 -8.721 -4.710 -4.399 1.00 0.00 C ATOM 518 CZ TYR A 35 -9.309 -4.675 -5.670 1.00 0.00 C ATOM 519 OH TYR A 35 -9.750 -5.843 -6.259 1.00 0.00 O ATOM 0 H TYR A 35 -7.562 1.115 -2.598 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.865 -0.108 -3.761 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.533 -0.342 -4.612 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.083 -1.228 -3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.103 -1.331 -6.273 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.821 -3.550 -2.822 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.906 -3.431 -7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.614 -5.650 -3.879 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.577 -6.598 -5.658 1.00 0.00 H new ATOM 529 N LEU A 36 -8.824 -1.427 -0.919 1.00 0.00 N ATOM 530 CA LEU A 36 -9.257 -2.339 0.176 1.00 0.00 C ATOM 531 C LEU A 36 -10.590 -1.846 0.741 1.00 0.00 C ATOM 532 O LEU A 36 -11.484 -2.620 1.006 1.00 0.00 O ATOM 533 CB LEU A 36 -8.195 -2.337 1.284 1.00 0.00 C ATOM 534 CG LEU A 36 -6.883 -2.989 0.785 1.00 0.00 C ATOM 535 CD1 LEU A 36 -5.752 -2.669 1.772 1.00 0.00 C ATOM 536 CD2 LEU A 36 -7.036 -4.528 0.669 1.00 0.00 C ATOM 0 H LEU A 36 -7.937 -0.949 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.377 -3.352 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.999 -1.314 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.568 -2.878 2.153 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.651 -2.587 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.826 -3.126 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.621 -1.589 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.005 -3.064 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.100 -4.961 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.283 -4.944 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.833 -4.762 -0.037 1.00 0.00 H new ATOM 548 N ALA A 37 -10.731 -0.562 0.915 1.00 0.00 N ATOM 549 CA ALA A 37 -12.010 -0.025 1.456 1.00 0.00 C ATOM 550 C ALA A 37 -13.154 -0.418 0.519 1.00 0.00 C ATOM 551 O ALA A 37 -14.235 -0.757 0.955 1.00 0.00 O ATOM 552 CB ALA A 37 -11.927 1.502 1.545 1.00 0.00 C ATOM 0 H ALA A 37 -10.018 0.137 0.707 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.189 -0.436 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -12.863 1.895 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -11.107 1.784 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.751 1.915 0.552 1.00 0.00 H new ATOM 558 N LYS A 38 -12.926 -0.371 -0.764 1.00 0.00 N ATOM 559 CA LYS A 38 -13.998 -0.737 -1.731 1.00 0.00 C ATOM 560 C LYS A 38 -14.404 -2.201 -1.515 1.00 0.00 C ATOM 561 O LYS A 38 -15.574 -2.528 -1.469 1.00 0.00 O ATOM 562 CB LYS A 38 -13.454 -0.559 -3.152 1.00 0.00 C ATOM 563 CG LYS A 38 -14.576 -0.748 -4.184 1.00 0.00 C ATOM 564 CD LYS A 38 -13.994 -0.740 -5.607 1.00 0.00 C ATOM 565 CE LYS A 38 -13.444 0.650 -5.971 1.00 0.00 C ATOM 566 NZ LYS A 38 -13.256 0.729 -7.447 1.00 0.00 N ATOM 0 H LYS A 38 -12.040 -0.094 -1.186 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.870 -0.100 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.017 0.434 -3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.657 -1.280 -3.336 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.094 -1.689 -4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.314 0.048 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.198 -1.481 -5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.766 -1.028 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.133 1.426 -5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.496 0.825 -5.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.884 1.667 -7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.583 -0.004 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.169 0.579 -7.922 1.00 0.00 H new ATOM 580 N ASN A 39 -13.447 -3.087 -1.386 1.00 0.00 N ATOM 581 CA ASN A 39 -13.770 -4.536 -1.175 1.00 0.00 C ATOM 582 C ASN A 39 -13.913 -4.805 0.321 1.00 0.00 C ATOM 583 O ASN A 39 -14.252 -5.893 0.740 1.00 0.00 O ATOM 584 CB ASN A 39 -12.632 -5.393 -1.735 1.00 0.00 C ATOM 585 CG ASN A 39 -12.541 -5.219 -3.257 1.00 0.00 C ATOM 586 OD1 ASN A 39 -13.587 -4.811 -3.926 1.00 0.00 O flip ATOM 587 ND2 ASN A 39 -11.505 -5.458 -3.845 1.00 0.00 N flip ATOM 0 H ASN A 39 -12.451 -2.869 -1.418 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.701 -4.784 -1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.688 -5.106 -1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -12.802 -6.442 -1.490 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.686 -5.777 -3.327 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.454 -5.340 -4.857 1.00 0.00 H new ATOM 594 N ASP A 40 -13.653 -3.814 1.133 1.00 0.00 N ATOM 595 CA ASP A 40 -13.764 -3.985 2.613 1.00 0.00 C ATOM 596 C ASP A 40 -14.061 -2.617 3.241 1.00 0.00 C ATOM 597 O ASP A 40 -13.257 -2.094 3.988 1.00 0.00 O ATOM 598 CB ASP A 40 -12.440 -4.524 3.173 1.00 0.00 C ATOM 599 CG ASP A 40 -12.009 -5.756 2.376 1.00 0.00 C ATOM 600 OD1 ASP A 40 -11.446 -5.579 1.308 1.00 0.00 O ATOM 601 OD2 ASP A 40 -12.253 -6.856 2.845 1.00 0.00 O ATOM 0 H ASP A 40 -13.365 -2.883 0.831 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.563 -4.689 2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.670 -3.755 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.557 -4.782 4.226 1.00 0.00 H new ATOM 606 N PRO A 41 -15.198 -2.026 2.944 1.00 0.00 N ATOM 607 CA PRO A 41 -15.554 -0.690 3.509 1.00 0.00 C ATOM 608 C PRO A 41 -15.702 -0.759 5.036 1.00 0.00 C ATOM 609 O PRO A 41 -15.639 0.242 5.723 1.00 0.00 O ATOM 610 CB PRO A 41 -16.885 -0.327 2.806 1.00 0.00 C ATOM 611 CG PRO A 41 -17.464 -1.644 2.375 1.00 0.00 C ATOM 612 CD PRO A 41 -16.261 -2.544 2.054 1.00 0.00 C ATOM 0 HA PRO A 41 -14.786 0.064 3.336 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -17.559 0.199 3.482 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -16.715 0.329 1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -18.078 -2.078 3.164 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -18.106 -1.522 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.479 -3.593 2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.976 -2.474 1.004 1.00 0.00 H new ATOM 620 N SER A 42 -15.877 -1.936 5.571 1.00 0.00 N ATOM 621 CA SER A 42 -16.004 -2.071 7.053 1.00 0.00 C ATOM 622 C SER A 42 -14.614 -1.931 7.676 1.00 0.00 C ATOM 623 O SER A 42 -14.463 -1.884 8.881 1.00 0.00 O ATOM 624 CB SER A 42 -16.571 -3.450 7.394 1.00 0.00 C ATOM 625 OG SER A 42 -17.875 -3.571 6.847 1.00 0.00 O ATOM 0 H SER A 42 -15.938 -2.810 5.048 1.00 0.00 H new ATOM 0 HA SER A 42 -16.671 -1.301 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.923 -4.231 6.995 1.00 0.00 H new ATOM 0 HB3 SER A 42 -16.604 -3.585 8.475 1.00 0.00 H new ATOM 0 HG SER A 42 -18.240 -4.455 7.063 1.00 0.00 H new ATOM 631 N PHE A 43 -13.595 -1.871 6.855 1.00 0.00 N ATOM 632 CA PHE A 43 -12.202 -1.743 7.380 1.00 0.00 C ATOM 633 C PHE A 43 -11.967 -0.301 7.848 1.00 0.00 C ATOM 634 O PHE A 43 -12.730 0.592 7.532 1.00 0.00 O ATOM 635 CB PHE A 43 -11.198 -2.110 6.269 1.00 0.00 C ATOM 636 CG PHE A 43 -9.834 -2.404 6.875 1.00 0.00 C ATOM 637 CD1 PHE A 43 -9.652 -3.573 7.621 1.00 0.00 C ATOM 638 CD2 PHE A 43 -8.758 -1.522 6.693 1.00 0.00 C ATOM 639 CE1 PHE A 43 -8.404 -3.863 8.183 1.00 0.00 C ATOM 640 CE2 PHE A 43 -7.510 -1.812 7.259 1.00 0.00 C ATOM 641 CZ PHE A 43 -7.332 -2.982 8.002 1.00 0.00 C ATOM 0 H PHE A 43 -13.670 -1.905 5.838 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.061 -2.420 8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.555 -2.980 5.718 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.118 -1.291 5.555 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.478 -4.254 7.764 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.892 -0.619 6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.268 -4.768 8.757 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.684 -1.130 7.121 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.369 -3.206 8.436 1.00 0.00 H new ATOM 651 N ASP A 44 -10.922 -0.076 8.615 1.00 0.00 N ATOM 652 CA ASP A 44 -10.617 1.301 9.138 1.00 0.00 C ATOM 653 C ASP A 44 -9.139 1.647 8.887 1.00 0.00 C ATOM 654 O ASP A 44 -8.325 1.565 9.785 1.00 0.00 O ATOM 655 CB ASP A 44 -10.876 1.326 10.646 1.00 0.00 C ATOM 656 CG ASP A 44 -12.343 0.981 10.919 1.00 0.00 C ATOM 657 OD1 ASP A 44 -13.196 1.756 10.520 1.00 0.00 O ATOM 658 OD2 ASP A 44 -12.585 -0.051 11.521 1.00 0.00 O ATOM 0 H ASP A 44 -10.260 -0.796 8.904 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.250 2.026 8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.224 0.612 11.149 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.642 2.311 11.049 1.00 0.00 H new ATOM 663 N PRO A 45 -8.791 2.046 7.682 1.00 0.00 N ATOM 664 CA PRO A 45 -7.382 2.423 7.349 1.00 0.00 C ATOM 665 C PRO A 45 -6.861 3.512 8.298 1.00 0.00 C ATOM 666 O PRO A 45 -5.708 3.530 8.683 1.00 0.00 O ATOM 667 CB PRO A 45 -7.472 2.952 5.892 1.00 0.00 C ATOM 668 CG PRO A 45 -8.717 2.327 5.329 1.00 0.00 C ATOM 669 CD PRO A 45 -9.687 2.178 6.516 1.00 0.00 C ATOM 0 HA PRO A 45 -6.690 1.587 7.451 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.532 4.040 5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.592 2.669 5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.149 2.952 4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.499 1.359 4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.342 3.044 6.610 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.328 1.304 6.402 1.00 0.00 H new ATOM 677 N ARG A 46 -7.728 4.416 8.673 1.00 0.00 N ATOM 678 CA ARG A 46 -7.331 5.522 9.589 1.00 0.00 C ATOM 679 C ARG A 46 -6.914 4.958 10.945 1.00 0.00 C ATOM 680 O ARG A 46 -6.034 5.479 11.602 1.00 0.00 O ATOM 681 CB ARG A 46 -8.514 6.489 9.756 1.00 0.00 C ATOM 682 CG ARG A 46 -9.767 5.728 10.229 1.00 0.00 C ATOM 683 CD ARG A 46 -10.949 6.699 10.396 1.00 0.00 C ATOM 684 NE ARG A 46 -12.227 5.919 10.405 1.00 0.00 N ATOM 685 CZ ARG A 46 -13.324 6.432 10.901 1.00 0.00 C ATOM 686 NH1 ARG A 46 -13.304 7.607 11.476 1.00 0.00 N ATOM 687 NH2 ARG A 46 -14.442 5.760 10.826 1.00 0.00 N ATOM 0 H ARG A 46 -8.705 4.434 8.379 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.483 6.059 9.164 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.258 7.265 10.477 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.720 6.989 8.809 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.024 4.952 9.508 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.562 5.228 11.175 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.845 7.261 11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.957 7.425 9.583 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.243 4.975 10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.430 8.129 11.540 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.163 8.001 11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.456 4.841 10.383 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.301 6.154 11.211 1.00 0.00 H new ATOM 701 N ASN A 47 -7.541 3.901 11.371 1.00 0.00 N ATOM 702 CA ASN A 47 -7.189 3.308 12.688 1.00 0.00 C ATOM 703 C ASN A 47 -5.719 2.892 12.669 1.00 0.00 C ATOM 704 O ASN A 47 -5.017 3.015 13.654 1.00 0.00 O ATOM 705 CB ASN A 47 -8.072 2.087 12.949 1.00 0.00 C ATOM 706 CG ASN A 47 -7.729 1.489 14.314 1.00 0.00 C ATOM 707 OD1 ASN A 47 -7.631 2.200 15.295 1.00 0.00 O ATOM 708 ND2 ASN A 47 -7.544 0.203 14.421 1.00 0.00 N ATOM 0 H ASN A 47 -8.284 3.421 10.863 1.00 0.00 H new ATOM 0 HA ASN A 47 -7.350 4.039 13.480 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.123 2.373 12.920 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.922 1.343 12.167 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -7.317 -0.206 15.327 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.626 -0.394 13.598 1.00 0.00 H new ATOM 715 N TRP A 48 -5.242 2.408 11.553 1.00 0.00 N ATOM 716 CA TRP A 48 -3.811 1.993 11.459 1.00 0.00 C ATOM 717 C TRP A 48 -2.935 3.236 11.289 1.00 0.00 C ATOM 718 O TRP A 48 -1.837 3.169 10.772 1.00 0.00 O ATOM 719 CB TRP A 48 -3.634 1.071 10.251 1.00 0.00 C ATOM 720 CG TRP A 48 -4.377 -0.206 10.496 1.00 0.00 C ATOM 721 CD1 TRP A 48 -5.574 -0.529 9.953 1.00 0.00 C ATOM 722 CD2 TRP A 48 -3.994 -1.327 11.341 1.00 0.00 C ATOM 723 NE1 TRP A 48 -5.948 -1.781 10.411 1.00 0.00 N ATOM 724 CE2 TRP A 48 -5.005 -2.313 11.269 1.00 0.00 C ATOM 725 CE3 TRP A 48 -2.875 -1.583 12.154 1.00 0.00 C ATOM 726 CZ2 TRP A 48 -4.912 -3.511 11.978 1.00 0.00 C ATOM 727 CZ3 TRP A 48 -2.777 -2.787 12.870 1.00 0.00 C ATOM 728 CH2 TRP A 48 -3.794 -3.748 12.783 1.00 0.00 C ATOM 0 H TRP A 48 -5.784 2.282 10.698 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.518 1.465 12.366 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.008 1.556 9.350 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.576 0.865 10.087 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.144 0.088 9.274 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.813 -2.252 10.147 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.086 -0.849 12.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.697 -4.249 11.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.913 -2.974 13.491 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.714 -4.671 13.338 1.00 0.00 H new ATOM 739 N GLY A 49 -3.412 4.371 11.732 1.00 0.00 N ATOM 740 CA GLY A 49 -2.611 5.626 11.611 1.00 0.00 C ATOM 741 C GLY A 49 -2.617 6.113 10.161 1.00 0.00 C ATOM 742 O GLY A 49 -2.912 5.371 9.246 1.00 0.00 O ATOM 0 H GLY A 49 -4.325 4.483 12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.024 6.395 12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.587 5.447 11.939 1.00 0.00 H new ATOM 746 N HIS A 50 -2.285 7.362 9.944 1.00 0.00 N ATOM 747 CA HIS A 50 -2.265 7.922 8.553 1.00 0.00 C ATOM 748 C HIS A 50 -0.873 7.738 7.947 1.00 0.00 C ATOM 749 O HIS A 50 0.118 8.174 8.498 1.00 0.00 O ATOM 750 CB HIS A 50 -2.596 9.414 8.607 1.00 0.00 C ATOM 751 CG HIS A 50 -3.982 9.595 9.158 1.00 0.00 C ATOM 752 ND1 HIS A 50 -5.114 9.309 8.413 1.00 0.00 N ATOM 753 CD2 HIS A 50 -4.434 10.024 10.381 1.00 0.00 C ATOM 754 CE1 HIS A 50 -6.184 9.569 9.186 1.00 0.00 C ATOM 755 NE2 HIS A 50 -5.825 10.009 10.397 1.00 0.00 N ATOM 0 H HIS A 50 -2.025 8.024 10.675 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.001 7.401 7.940 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -1.872 9.936 9.233 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.529 9.850 7.610 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.805 10.327 11.205 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.208 9.438 8.868 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.439 10.276 11.167 1.00 0.00 H new ATOM 763 N GLY A 51 -0.792 7.091 6.814 1.00 0.00 N ATOM 764 CA GLY A 51 0.534 6.873 6.162 1.00 0.00 C ATOM 765 C GLY A 51 1.368 5.879 6.982 1.00 0.00 C ATOM 766 O GLY A 51 2.281 5.253 6.472 1.00 0.00 O ATOM 0 H GLY A 51 -1.589 6.703 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.392 6.493 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.065 7.821 6.075 1.00 0.00 H new ATOM 770 N ARG A 52 1.059 5.720 8.245 1.00 0.00 N ATOM 771 CA ARG A 52 1.836 4.773 9.091 1.00 0.00 C ATOM 772 C ARG A 52 1.500 3.345 8.675 1.00 0.00 C ATOM 773 O ARG A 52 2.044 2.388 9.193 1.00 0.00 O ATOM 774 CB ARG A 52 1.457 4.964 10.562 1.00 0.00 C ATOM 775 CG ARG A 52 1.860 6.363 11.029 1.00 0.00 C ATOM 776 CD ARG A 52 1.551 6.501 12.525 1.00 0.00 C ATOM 777 NE ARG A 52 2.344 5.466 13.263 1.00 0.00 N ATOM 778 CZ ARG A 52 3.538 5.723 13.742 1.00 0.00 C ATOM 779 NH1 ARG A 52 3.955 6.949 13.897 1.00 0.00 N ATOM 780 NH2 ARG A 52 4.290 4.733 14.134 1.00 0.00 N ATOM 0 H ARG A 52 0.301 6.207 8.724 1.00 0.00 H new ATOM 0 HA ARG A 52 2.902 4.962 8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.384 4.824 10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.952 4.211 11.174 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.922 6.529 10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.318 7.120 10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.809 7.500 12.876 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.485 6.365 12.707 1.00 0.00 H new ATOM 0 HE ARG A 52 1.945 4.537 13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.349 7.730 13.644 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.887 7.127 14.271 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.948 3.775 14.066 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.221 4.917 14.509 1.00 0.00 H new ATOM 794 N LEU A 53 0.616 3.197 7.736 1.00 0.00 N ATOM 795 CA LEU A 53 0.246 1.840 7.268 1.00 0.00 C ATOM 796 C LEU A 53 1.495 1.178 6.685 1.00 0.00 C ATOM 797 O LEU A 53 1.717 -0.006 6.844 1.00 0.00 O ATOM 798 CB LEU A 53 -0.850 1.963 6.202 1.00 0.00 C ATOM 799 CG LEU A 53 -1.288 0.577 5.686 1.00 0.00 C ATOM 800 CD1 LEU A 53 -1.954 -0.244 6.816 1.00 0.00 C ATOM 801 CD2 LEU A 53 -2.287 0.777 4.536 1.00 0.00 C ATOM 0 H LEU A 53 0.131 3.963 7.269 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.134 1.232 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.710 2.486 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.485 2.565 5.370 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.412 0.029 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.255 -1.218 6.429 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.245 -0.381 7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.832 0.288 7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.607 -0.194 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.154 1.329 4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.810 1.338 3.733 1.00 0.00 H new ATOM 813 N SER A 54 2.313 1.938 6.007 1.00 0.00 N ATOM 814 CA SER A 54 3.549 1.355 5.411 1.00 0.00 C ATOM 815 C SER A 54 4.407 0.745 6.521 1.00 0.00 C ATOM 816 O SER A 54 4.967 -0.323 6.374 1.00 0.00 O ATOM 817 CB SER A 54 4.343 2.458 4.711 1.00 0.00 C ATOM 818 OG SER A 54 5.658 1.989 4.439 1.00 0.00 O ATOM 0 H SER A 54 2.179 2.935 5.841 1.00 0.00 H new ATOM 0 HA SER A 54 3.278 0.584 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.848 2.746 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.384 3.347 5.340 1.00 0.00 H new ATOM 0 HG SER A 54 6.170 2.693 3.989 1.00 0.00 H new ATOM 824 N GLN A 55 4.520 1.419 7.630 1.00 0.00 N ATOM 825 CA GLN A 55 5.346 0.884 8.748 1.00 0.00 C ATOM 826 C GLN A 55 4.713 -0.399 9.295 1.00 0.00 C ATOM 827 O GLN A 55 5.398 -1.287 9.759 1.00 0.00 O ATOM 828 CB GLN A 55 5.425 1.934 9.863 1.00 0.00 C ATOM 829 CG GLN A 55 6.387 1.460 10.959 1.00 0.00 C ATOM 830 CD GLN A 55 6.499 2.533 12.044 1.00 0.00 C ATOM 831 OE1 GLN A 55 5.524 2.875 12.680 1.00 0.00 O ATOM 832 NE2 GLN A 55 7.658 3.085 12.284 1.00 0.00 N ATOM 0 H GLN A 55 4.075 2.319 7.811 1.00 0.00 H new ATOM 0 HA GLN A 55 6.348 0.659 8.383 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.765 2.886 9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.435 2.104 10.285 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.029 0.526 11.393 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.369 1.257 10.532 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.479 2.799 11.751 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.742 3.802 13.005 1.00 0.00 H new ATOM 841 N MET A 56 3.411 -0.509 9.252 1.00 0.00 N ATOM 842 CA MET A 56 2.752 -1.740 9.783 1.00 0.00 C ATOM 843 C MET A 56 3.157 -2.957 8.939 1.00 0.00 C ATOM 844 O MET A 56 3.535 -3.985 9.463 1.00 0.00 O ATOM 845 CB MET A 56 1.228 -1.558 9.730 1.00 0.00 C ATOM 846 CG MET A 56 0.529 -2.706 10.474 1.00 0.00 C ATOM 847 SD MET A 56 0.801 -2.519 12.255 1.00 0.00 S ATOM 848 CE MET A 56 0.361 -4.207 12.732 1.00 0.00 C ATOM 0 H MET A 56 2.778 0.196 8.874 1.00 0.00 H new ATOM 0 HA MET A 56 3.067 -1.904 10.813 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.953 -0.604 10.179 1.00 0.00 H new ATOM 0 HB3 MET A 56 0.894 -1.531 8.693 1.00 0.00 H new ATOM 0 HG2 MET A 56 -0.539 -2.700 10.255 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.918 -3.666 10.134 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.148 -4.239 13.801 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.522 -4.524 12.176 1.00 0.00 H new ATOM 0 HE3 MET A 56 1.191 -4.877 12.507 1.00 0.00 H new ATOM 858 N VAL A 57 3.072 -2.853 7.637 1.00 0.00 N ATOM 859 CA VAL A 57 3.444 -4.008 6.759 1.00 0.00 C ATOM 860 C VAL A 57 4.966 -4.146 6.707 1.00 0.00 C ATOM 861 O VAL A 57 5.496 -5.160 6.299 1.00 0.00 O ATOM 862 CB VAL A 57 2.896 -3.783 5.343 1.00 0.00 C ATOM 863 CG1 VAL A 57 1.367 -3.745 5.389 1.00 0.00 C ATOM 864 CG2 VAL A 57 3.417 -2.454 4.790 1.00 0.00 C ATOM 0 H VAL A 57 2.761 -2.017 7.142 1.00 0.00 H new ATOM 0 HA VAL A 57 3.013 -4.922 7.168 1.00 0.00 H new ATOM 0 HB VAL A 57 3.225 -4.597 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.977 -3.585 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.991 -4.691 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.043 -2.931 6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.025 -2.299 3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.091 -1.639 5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.506 -2.476 4.755 1.00 0.00 H new ATOM 874 N LYS A 58 5.670 -3.126 7.109 1.00 0.00 N ATOM 875 CA LYS A 58 7.160 -3.183 7.080 1.00 0.00 C ATOM 876 C LYS A 58 7.649 -4.315 7.980 1.00 0.00 C ATOM 877 O LYS A 58 8.703 -4.878 7.760 1.00 0.00 O ATOM 878 CB LYS A 58 7.725 -1.848 7.575 1.00 0.00 C ATOM 879 CG LYS A 58 9.245 -1.832 7.403 1.00 0.00 C ATOM 880 CD LYS A 58 9.792 -0.471 7.841 1.00 0.00 C ATOM 881 CE LYS A 58 11.312 -0.449 7.671 1.00 0.00 C ATOM 882 NZ LYS A 58 11.651 -0.629 6.233 1.00 0.00 N ATOM 0 H LYS A 58 5.278 -2.252 7.458 1.00 0.00 H new ATOM 0 HA LYS A 58 7.499 -3.367 6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.278 -1.025 7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.467 -1.700 8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.698 -2.626 7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.506 -2.023 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.338 0.323 7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.530 -0.280 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.716 0.495 8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.767 -1.241 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.611 -0.270 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.609 -1.639 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.971 -0.104 5.648 1.00 0.00 H new ATOM 896 N LYS A 59 6.904 -4.652 8.995 1.00 0.00 N ATOM 897 CA LYS A 59 7.341 -5.747 9.908 1.00 0.00 C ATOM 898 C LYS A 59 7.239 -7.089 9.165 1.00 0.00 C ATOM 899 O LYS A 59 7.597 -8.126 9.684 1.00 0.00 O ATOM 900 CB LYS A 59 6.424 -5.758 11.153 1.00 0.00 C ATOM 901 CG LYS A 59 7.090 -6.526 12.329 1.00 0.00 C ATOM 902 CD LYS A 59 7.984 -5.579 13.145 1.00 0.00 C ATOM 903 CE LYS A 59 8.637 -6.355 14.289 1.00 0.00 C ATOM 904 NZ LYS A 59 9.491 -5.430 15.083 1.00 0.00 N ATOM 0 H LYS A 59 6.012 -4.218 9.233 1.00 0.00 H new ATOM 0 HA LYS A 59 8.373 -5.589 10.223 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.208 -4.734 11.459 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.471 -6.224 10.903 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.323 -6.957 12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.684 -7.354 11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.750 -5.142 12.504 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.392 -4.754 13.542 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.872 -6.800 14.926 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.238 -7.174 13.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.938 -5.953 15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.228 -5.026 14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.905 -4.664 15.471 1.00 0.00 H new ATOM 918 N LEU A 60 6.748 -7.065 7.948 1.00 0.00 N ATOM 919 CA LEU A 60 6.607 -8.326 7.141 1.00 0.00 C ATOM 920 C LEU A 60 7.778 -8.424 6.157 1.00 0.00 C ATOM 921 O LEU A 60 8.030 -7.523 5.383 1.00 0.00 O ATOM 922 CB LEU A 60 5.285 -8.271 6.370 1.00 0.00 C ATOM 923 CG LEU A 60 4.121 -8.012 7.342 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.818 -7.901 6.543 1.00 0.00 C ATOM 925 CD2 LEU A 60 4.005 -9.160 8.372 1.00 0.00 C ATOM 0 H LEU A 60 6.435 -6.219 7.473 1.00 0.00 H new ATOM 0 HA LEU A 60 6.613 -9.198 7.796 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.325 -7.482 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.125 -9.209 5.839 1.00 0.00 H new ATOM 0 HG LEU A 60 4.308 -7.084 7.882 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.988 -7.717 7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.895 -7.076 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.643 -8.830 6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.176 -8.958 9.050 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.826 -10.100 7.850 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.931 -9.232 8.942 1.00 0.00 H new ATOM 937 N ASP A 61 8.505 -9.509 6.200 1.00 0.00 N ATOM 938 CA ASP A 61 9.681 -9.672 5.290 1.00 0.00 C ATOM 939 C ASP A 61 9.244 -9.946 3.845 1.00 0.00 C ATOM 940 O ASP A 61 9.888 -9.509 2.909 1.00 0.00 O ATOM 941 CB ASP A 61 10.531 -10.847 5.781 1.00 0.00 C ATOM 942 CG ASP A 61 9.678 -12.119 5.834 1.00 0.00 C ATOM 943 OD1 ASP A 61 8.467 -12.007 5.730 1.00 0.00 O ATOM 944 OD2 ASP A 61 10.252 -13.185 5.982 1.00 0.00 O ATOM 0 H ASP A 61 8.335 -10.294 6.829 1.00 0.00 H new ATOM 0 HA ASP A 61 10.253 -8.744 5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.381 -10.996 5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.935 -10.628 6.769 1.00 0.00 H new ATOM 949 N PHE A 62 8.186 -10.689 3.639 1.00 0.00 N ATOM 950 CA PHE A 62 7.763 -11.006 2.238 1.00 0.00 C ATOM 951 C PHE A 62 7.133 -9.777 1.564 1.00 0.00 C ATOM 952 O PHE A 62 6.444 -9.897 0.570 1.00 0.00 O ATOM 953 CB PHE A 62 6.768 -12.176 2.248 1.00 0.00 C ATOM 954 CG PHE A 62 5.485 -11.779 2.949 1.00 0.00 C ATOM 955 CD1 PHE A 62 5.375 -11.912 4.339 1.00 0.00 C ATOM 956 CD2 PHE A 62 4.399 -11.293 2.207 1.00 0.00 C ATOM 957 CE1 PHE A 62 4.184 -11.558 4.984 1.00 0.00 C ATOM 958 CE2 PHE A 62 3.210 -10.938 2.853 1.00 0.00 C ATOM 959 CZ PHE A 62 3.102 -11.071 4.241 1.00 0.00 C ATOM 0 H PHE A 62 7.600 -11.088 4.373 1.00 0.00 H new ATOM 0 HA PHE A 62 8.645 -11.290 1.665 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.550 -12.484 1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.213 -13.035 2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.209 -12.288 4.913 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.481 -11.193 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.100 -11.661 6.056 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.376 -10.561 2.280 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.184 -10.798 4.740 1.00 0.00 H new ATOM 969 N LEU A 63 7.379 -8.595 2.087 1.00 0.00 N ATOM 970 CA LEU A 63 6.817 -7.338 1.474 1.00 0.00 C ATOM 971 C LEU A 63 7.910 -6.262 1.440 1.00 0.00 C ATOM 972 O LEU A 63 8.497 -5.924 2.448 1.00 0.00 O ATOM 973 CB LEU A 63 5.615 -6.854 2.318 1.00 0.00 C ATOM 974 CG LEU A 63 4.332 -7.665 1.963 1.00 0.00 C ATOM 975 CD1 LEU A 63 3.366 -7.677 3.156 1.00 0.00 C ATOM 976 CD2 LEU A 63 3.611 -7.025 0.761 1.00 0.00 C ATOM 0 H LEU A 63 7.949 -8.444 2.919 1.00 0.00 H new ATOM 0 HA LEU A 63 6.480 -7.535 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.840 -6.966 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.442 -5.793 2.139 1.00 0.00 H new ATOM 0 HG LEU A 63 4.633 -8.683 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.474 -8.246 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.854 -8.139 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.084 -6.654 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.717 -7.602 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.328 -6.002 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.277 -7.018 -0.101 1.00 0.00 H new ATOM 988 N THR A 64 8.177 -5.715 0.279 1.00 0.00 N ATOM 989 CA THR A 64 9.221 -4.649 0.154 1.00 0.00 C ATOM 990 C THR A 64 8.570 -3.283 0.375 1.00 0.00 C ATOM 991 O THR A 64 7.456 -3.047 -0.055 1.00 0.00 O ATOM 992 CB THR A 64 9.830 -4.704 -1.249 1.00 0.00 C ATOM 993 OG1 THR A 64 10.370 -5.999 -1.476 1.00 0.00 O ATOM 994 CG2 THR A 64 10.939 -3.660 -1.376 1.00 0.00 C ATOM 0 H THR A 64 7.713 -5.963 -0.595 1.00 0.00 H new ATOM 0 HA THR A 64 10.003 -4.806 0.897 1.00 0.00 H new ATOM 0 HB THR A 64 9.056 -4.494 -1.987 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.759 -6.038 -2.374 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.368 -3.705 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.525 -2.667 -1.203 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.716 -3.863 -0.639 1.00 0.00 H new ATOM 1002 N VAL A 65 9.258 -2.378 1.041 1.00 0.00 N ATOM 1003 CA VAL A 65 8.701 -1.007 1.307 1.00 0.00 C ATOM 1004 C VAL A 65 9.560 0.037 0.594 1.00 0.00 C ATOM 1005 O VAL A 65 10.770 0.056 0.713 1.00 0.00 O ATOM 1006 CB VAL A 65 8.734 -0.731 2.815 1.00 0.00 C ATOM 1007 CG1 VAL A 65 8.176 0.672 3.108 1.00 0.00 C ATOM 1008 CG2 VAL A 65 7.887 -1.778 3.540 1.00 0.00 C ATOM 0 H VAL A 65 10.194 -2.534 1.416 1.00 0.00 H new ATOM 0 HA VAL A 65 7.675 -0.955 0.941 1.00 0.00 H new ATOM 0 HB VAL A 65 9.765 -0.783 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.204 0.858 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.782 1.419 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.146 0.735 2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.909 -1.584 4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.859 -1.725 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.289 -2.772 3.343 1.00 0.00 H new ATOM 1018 N GLN A 66 8.934 0.917 -0.135 1.00 0.00 N ATOM 1019 CA GLN A 66 9.677 1.991 -0.855 1.00 0.00 C ATOM 1020 C GLN A 66 8.727 3.174 -1.041 1.00 0.00 C ATOM 1021 O GLN A 66 7.531 2.997 -1.135 1.00 0.00 O ATOM 1022 CB GLN A 66 10.136 1.476 -2.223 1.00 0.00 C ATOM 1023 CG GLN A 66 11.012 2.532 -2.900 1.00 0.00 C ATOM 1024 CD GLN A 66 11.513 1.994 -4.241 1.00 0.00 C ATOM 1025 OE1 GLN A 66 10.733 1.716 -5.128 1.00 0.00 O ATOM 1026 NE2 GLN A 66 12.794 1.831 -4.423 1.00 0.00 N ATOM 0 H GLN A 66 7.923 0.939 -0.265 1.00 0.00 H new ATOM 0 HA GLN A 66 10.556 2.294 -0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.694 0.547 -2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.271 1.251 -2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.442 3.449 -3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.856 2.785 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.449 2.065 -3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.141 1.470 -5.311 1.00 0.00 H new ATOM 1035 N GLU A 67 9.245 4.377 -1.091 1.00 0.00 N ATOM 1036 CA GLU A 67 8.371 5.584 -1.267 1.00 0.00 C ATOM 1037 C GLU A 67 9.063 6.569 -2.210 1.00 0.00 C ATOM 1038 O GLU A 67 10.206 6.931 -2.017 1.00 0.00 O ATOM 1039 CB GLU A 67 8.125 6.229 0.110 1.00 0.00 C ATOM 1040 CG GLU A 67 9.422 6.833 0.670 1.00 0.00 C ATOM 1041 CD GLU A 67 9.232 7.215 2.143 1.00 0.00 C ATOM 1042 OE1 GLU A 67 8.108 7.156 2.613 1.00 0.00 O ATOM 1043 OE2 GLU A 67 10.216 7.565 2.773 1.00 0.00 O ATOM 0 H GLU A 67 10.242 4.578 -1.017 1.00 0.00 H new ATOM 0 HA GLU A 67 7.411 5.301 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.365 7.006 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.738 5.482 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.237 6.116 0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.702 7.713 0.091 1.00 0.00 H new ATOM 1050 N SER A 68 8.385 7.009 -3.234 1.00 0.00 N ATOM 1051 CA SER A 68 9.011 7.978 -4.182 1.00 0.00 C ATOM 1052 C SER A 68 8.904 9.386 -3.588 1.00 0.00 C ATOM 1053 O SER A 68 8.016 9.673 -2.806 1.00 0.00 O ATOM 1054 CB SER A 68 8.266 7.931 -5.517 1.00 0.00 C ATOM 1055 OG SER A 68 6.957 8.456 -5.344 1.00 0.00 O ATOM 0 H SER A 68 7.426 6.741 -3.456 1.00 0.00 H new ATOM 0 HA SER A 68 10.058 7.721 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.805 8.508 -6.268 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.213 6.905 -5.881 1.00 0.00 H new ATOM 0 HG SER A 68 6.478 8.429 -6.199 1.00 0.00 H new ATOM 1061 N ARG A 69 9.789 10.272 -3.963 1.00 0.00 N ATOM 1062 CA ARG A 69 9.741 11.676 -3.444 1.00 0.00 C ATOM 1063 C ARG A 69 8.879 12.521 -4.390 1.00 0.00 C ATOM 1064 O ARG A 69 9.057 12.483 -5.591 1.00 0.00 O ATOM 1065 CB ARG A 69 11.162 12.257 -3.429 1.00 0.00 C ATOM 1066 CG ARG A 69 11.995 11.648 -2.283 1.00 0.00 C ATOM 1067 CD ARG A 69 13.463 12.136 -2.421 1.00 0.00 C ATOM 1068 NE ARG A 69 14.343 11.955 -1.186 1.00 0.00 N ATOM 1069 CZ ARG A 69 13.888 11.890 0.058 1.00 0.00 C ATOM 1070 NH1 ARG A 69 12.768 11.312 0.370 1.00 0.00 N ATOM 1071 NH2 ARG A 69 14.694 12.229 1.028 1.00 0.00 N ATOM 0 H ARG A 69 10.552 10.083 -4.613 1.00 0.00 H new ATOM 0 HA ARG A 69 9.323 11.685 -2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.650 12.059 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.115 13.340 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.586 11.948 -1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.953 10.560 -2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.925 11.606 -3.254 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.451 13.194 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 69 15.350 11.879 -1.328 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.196 10.882 -0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.460 11.288 1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.645 12.533 0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.373 12.189 1.995 1.00 0.00 H new ATOM 1085 N ASN A 70 7.957 13.299 -3.869 1.00 0.00 N ATOM 1086 CA ASN A 70 7.105 14.158 -4.759 1.00 0.00 C ATOM 1087 C ASN A 70 6.679 15.418 -4.003 1.00 0.00 C ATOM 1088 O ASN A 70 5.742 15.409 -3.228 1.00 0.00 O ATOM 1089 CB ASN A 70 5.867 13.375 -5.203 1.00 0.00 C ATOM 1090 CG ASN A 70 5.022 14.240 -6.148 1.00 0.00 C ATOM 1091 OD1 ASN A 70 5.236 15.430 -6.256 1.00 0.00 O ATOM 1092 ND2 ASN A 70 4.063 13.688 -6.847 1.00 0.00 N ATOM 0 H ASN A 70 7.758 13.377 -2.872 1.00 0.00 H new ATOM 0 HA ASN A 70 7.680 14.445 -5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.167 12.456 -5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.277 13.085 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.500 14.257 -7.479 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.879 12.689 -6.760 1.00 0.00 H new ATOM 1099 N GLY A 71 7.364 16.505 -4.229 1.00 0.00 N ATOM 1100 CA GLY A 71 7.006 17.777 -3.536 1.00 0.00 C ATOM 1101 C GLY A 71 7.007 17.558 -2.024 1.00 0.00 C ATOM 1102 O GLY A 71 7.844 16.860 -1.489 1.00 0.00 O ATOM 0 H GLY A 71 8.159 16.568 -4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.718 18.559 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.023 18.117 -3.863 1.00 0.00 H new ATOM 1106 N SER A 72 6.067 18.150 -1.326 1.00 0.00 N ATOM 1107 CA SER A 72 6.002 17.976 0.159 1.00 0.00 C ATOM 1108 C SER A 72 5.204 16.714 0.495 1.00 0.00 C ATOM 1109 O SER A 72 5.140 16.301 1.636 1.00 0.00 O ATOM 1110 CB SER A 72 5.304 19.187 0.784 1.00 0.00 C ATOM 1111 OG SER A 72 6.050 20.360 0.496 1.00 0.00 O ATOM 0 H SER A 72 5.341 18.747 -1.722 1.00 0.00 H new ATOM 0 HA SER A 72 7.014 17.886 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.292 19.281 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.216 19.054 1.862 1.00 0.00 H new ATOM 0 HG SER A 72 5.604 21.137 0.894 1.00 0.00 H new ATOM 1117 N LYS A 73 4.589 16.097 -0.492 1.00 0.00 N ATOM 1118 CA LYS A 73 3.781 14.855 -0.246 1.00 0.00 C ATOM 1119 C LYS A 73 4.575 13.632 -0.701 1.00 0.00 C ATOM 1120 O LYS A 73 4.895 13.479 -1.863 1.00 0.00 O ATOM 1121 CB LYS A 73 2.474 14.939 -1.047 1.00 0.00 C ATOM 1122 CG LYS A 73 1.589 13.726 -0.729 1.00 0.00 C ATOM 1123 CD LYS A 73 0.254 13.863 -1.461 1.00 0.00 C ATOM 1124 CE LYS A 73 -0.627 12.651 -1.148 1.00 0.00 C ATOM 1125 NZ LYS A 73 -0.912 12.603 0.314 1.00 0.00 N ATOM 0 H LYS A 73 4.613 16.404 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 73 3.558 14.767 0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.945 15.860 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.693 14.971 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.090 12.807 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.421 13.657 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.249 14.780 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.422 13.936 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.560 12.713 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.127 11.735 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.922 12.404 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.342 11.853 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.672 13.519 0.745 1.00 0.00 H new ATOM 1139 N LEU A 74 4.879 12.748 0.213 1.00 0.00 N ATOM 1140 CA LEU A 74 5.637 11.510 -0.147 1.00 0.00 C ATOM 1141 C LEU A 74 4.640 10.440 -0.586 1.00 0.00 C ATOM 1142 O LEU A 74 3.632 10.223 0.056 1.00 0.00 O ATOM 1143 CB LEU A 74 6.417 11.004 1.075 1.00 0.00 C ATOM 1144 CG LEU A 74 7.556 11.980 1.426 1.00 0.00 C ATOM 1145 CD1 LEU A 74 8.161 11.571 2.778 1.00 0.00 C ATOM 1146 CD2 LEU A 74 8.658 11.967 0.331 1.00 0.00 C ATOM 0 H LEU A 74 4.634 12.830 1.200 1.00 0.00 H new ATOM 0 HA LEU A 74 6.338 11.728 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.744 10.899 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.827 10.015 0.869 1.00 0.00 H new ATOM 0 HG LEU A 74 7.151 12.990 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.969 12.255 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.391 11.611 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.553 10.556 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 74 9.450 12.665 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.073 10.963 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.225 12.264 -0.624 1.00 0.00 H new ATOM 1158 N HIS A 75 4.923 9.756 -1.669 1.00 0.00 N ATOM 1159 CA HIS A 75 4.006 8.675 -2.160 1.00 0.00 C ATOM 1160 C HIS A 75 4.585 7.327 -1.740 1.00 0.00 C ATOM 1161 O HIS A 75 5.543 6.845 -2.311 1.00 0.00 O ATOM 1162 CB HIS A 75 3.921 8.750 -3.690 1.00 0.00 C ATOM 1163 CG HIS A 75 3.149 9.980 -4.090 1.00 0.00 C ATOM 1164 ND1 HIS A 75 3.701 11.250 -4.043 1.00 0.00 N ATOM 1165 CD2 HIS A 75 1.862 10.148 -4.538 1.00 0.00 C ATOM 1166 CE1 HIS A 75 2.756 12.119 -4.452 1.00 0.00 C ATOM 1167 NE2 HIS A 75 1.617 11.500 -4.765 1.00 0.00 N ATOM 0 H HIS A 75 5.756 9.901 -2.239 1.00 0.00 H new ATOM 0 HA HIS A 75 3.008 8.797 -1.739 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.922 8.780 -4.120 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.433 7.858 -4.082 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.148 9.352 -4.691 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.903 13.187 -4.518 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.752 11.925 -5.099 1.00 0.00 H new ATOM 1175 N SER A 76 4.013 6.718 -0.737 1.00 0.00 N ATOM 1176 CA SER A 76 4.529 5.403 -0.267 1.00 0.00 C ATOM 1177 C SER A 76 4.127 4.318 -1.269 1.00 0.00 C ATOM 1178 O SER A 76 3.096 4.404 -1.908 1.00 0.00 O ATOM 1179 CB SER A 76 3.933 5.085 1.107 1.00 0.00 C ATOM 1180 OG SER A 76 4.540 5.922 2.082 1.00 0.00 O ATOM 0 H SER A 76 3.209 7.076 -0.222 1.00 0.00 H new ATOM 0 HA SER A 76 5.616 5.439 -0.188 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.855 5.243 1.095 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.099 4.037 1.355 1.00 0.00 H new ATOM 0 HG SER A 76 4.161 5.725 2.964 1.00 0.00 H new ATOM 1186 N GLU A 77 4.935 3.296 -1.410 1.00 0.00 N ATOM 1187 CA GLU A 77 4.621 2.184 -2.368 1.00 0.00 C ATOM 1188 C GLU A 77 5.036 0.854 -1.738 1.00 0.00 C ATOM 1189 O GLU A 77 5.945 0.798 -0.932 1.00 0.00 O ATOM 1190 CB GLU A 77 5.403 2.385 -3.670 1.00 0.00 C ATOM 1191 CG GLU A 77 4.887 3.623 -4.407 1.00 0.00 C ATOM 1192 CD GLU A 77 5.698 3.838 -5.690 1.00 0.00 C ATOM 1193 OE1 GLU A 77 6.593 3.048 -5.949 1.00 0.00 O ATOM 1194 OE2 GLU A 77 5.406 4.790 -6.394 1.00 0.00 O ATOM 0 H GLU A 77 5.809 3.181 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 77 3.553 2.182 -2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.465 2.498 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.300 1.505 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.831 3.500 -4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.966 4.500 -3.764 1.00 0.00 H new ATOM 1201 N ILE A 78 4.379 -0.217 -2.109 1.00 0.00 N ATOM 1202 CA ILE A 78 4.718 -1.569 -1.550 1.00 0.00 C ATOM 1203 C ILE A 78 4.641 -2.617 -2.667 1.00 0.00 C ATOM 1204 O ILE A 78 3.908 -2.469 -3.624 1.00 0.00 O ATOM 1205 CB ILE A 78 3.733 -1.909 -0.423 1.00 0.00 C ATOM 1206 CG1 ILE A 78 2.287 -1.819 -0.938 1.00 0.00 C ATOM 1207 CG2 ILE A 78 3.919 -0.920 0.733 1.00 0.00 C ATOM 1208 CD1 ILE A 78 1.312 -2.272 0.156 1.00 0.00 C ATOM 0 H ILE A 78 3.613 -0.215 -2.783 1.00 0.00 H new ATOM 0 HA ILE A 78 5.730 -1.564 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 78 3.928 -2.924 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.062 -0.795 -1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.168 -2.443 -1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.220 -1.161 1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.940 -0.988 1.110 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.730 0.093 0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.290 -2.205 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.530 -3.303 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.422 -1.630 1.030 1.00 0.00 H new ATOM 1220 N ARG A 79 5.399 -3.677 -2.551 1.00 0.00 N ATOM 1221 CA ARG A 79 5.385 -4.746 -3.601 1.00 0.00 C ATOM 1222 C ARG A 79 5.874 -6.052 -2.966 1.00 0.00 C ATOM 1223 O ARG A 79 6.585 -6.042 -1.983 1.00 0.00 O ATOM 1224 CB ARG A 79 6.310 -4.324 -4.750 1.00 0.00 C ATOM 1225 CG ARG A 79 6.247 -5.333 -5.907 1.00 0.00 C ATOM 1226 CD ARG A 79 7.209 -4.870 -7.008 1.00 0.00 C ATOM 1227 NE ARG A 79 7.073 -5.722 -8.234 1.00 0.00 N ATOM 1228 CZ ARG A 79 7.704 -6.866 -8.319 1.00 0.00 C ATOM 1229 NH1 ARG A 79 8.240 -7.394 -7.254 1.00 0.00 N ATOM 1230 NH2 ARG A 79 7.759 -7.499 -9.459 1.00 0.00 N ATOM 0 H ARG A 79 6.032 -3.851 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 79 4.380 -4.893 -3.996 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.022 -3.336 -5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.335 -4.246 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.522 -6.328 -5.557 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.231 -5.401 -6.296 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.005 -3.829 -7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.235 -4.914 -6.642 1.00 0.00 H new ATOM 0 HE ARG A 79 6.485 -5.409 -9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.167 -6.916 -6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.732 -8.285 -7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.310 -7.102 -10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.251 -8.390 -9.524 1.00 0.00 H new ATOM 1244 N LEU A 80 5.485 -7.174 -3.505 1.00 0.00 N ATOM 1245 CA LEU A 80 5.915 -8.476 -2.913 1.00 0.00 C ATOM 1246 C LEU A 80 7.434 -8.627 -3.042 1.00 0.00 C ATOM 1247 O LEU A 80 8.017 -8.300 -4.055 1.00 0.00 O ATOM 1248 CB LEU A 80 5.213 -9.615 -3.658 1.00 0.00 C ATOM 1249 CG LEU A 80 3.689 -9.386 -3.658 1.00 0.00 C ATOM 1250 CD1 LEU A 80 3.015 -10.496 -4.471 1.00 0.00 C ATOM 1251 CD2 LEU A 80 3.140 -9.390 -2.211 1.00 0.00 C ATOM 0 H LEU A 80 4.888 -7.248 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 80 5.647 -8.508 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.580 -9.671 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.446 -10.568 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 80 3.474 -8.416 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.936 -10.340 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.389 -10.475 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.240 -11.464 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.062 -9.227 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.353 -10.351 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.617 -8.595 -1.639 1.00 0.00 H new ATOM 1263 N ARG A 81 8.084 -9.115 -2.013 1.00 0.00 N ATOM 1264 CA ARG A 81 9.568 -9.275 -2.075 1.00 0.00 C ATOM 1265 C ARG A 81 9.927 -10.409 -3.036 1.00 0.00 C ATOM 1266 O ARG A 81 10.187 -11.525 -2.632 1.00 0.00 O ATOM 1267 CB ARG A 81 10.101 -9.577 -0.669 1.00 0.00 C ATOM 1268 CG ARG A 81 11.633 -9.682 -0.705 1.00 0.00 C ATOM 1269 CD ARG A 81 12.192 -9.719 0.720 1.00 0.00 C ATOM 1270 NE ARG A 81 11.767 -10.979 1.408 1.00 0.00 N ATOM 1271 CZ ARG A 81 12.368 -12.112 1.142 1.00 0.00 C ATOM 1272 NH1 ARG A 81 13.254 -12.173 0.181 1.00 0.00 N ATOM 1273 NH2 ARG A 81 12.068 -13.185 1.819 1.00 0.00 N ATOM 0 H ARG A 81 7.652 -9.408 -1.137 1.00 0.00 H new ATOM 0 HA ARG A 81 10.023 -8.354 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.797 -8.790 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.672 -10.509 -0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.931 -10.581 -1.244 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.051 -8.833 -1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.280 -9.659 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.839 -8.853 1.280 1.00 0.00 H new ATOM 0 HE ARG A 81 11.006 -10.955 2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.477 -11.338 -0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.722 -13.055 -0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.365 -13.143 2.557 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.537 -14.067 1.611 1.00 0.00 H new ATOM 1287 N HIS A 82 9.942 -10.125 -4.314 1.00 0.00 N ATOM 1288 CA HIS A 82 10.282 -11.172 -5.323 1.00 0.00 C ATOM 1289 C HIS A 82 10.681 -10.495 -6.640 1.00 0.00 C ATOM 1290 O HIS A 82 10.325 -9.362 -6.896 1.00 0.00 O ATOM 1291 CB HIS A 82 9.061 -12.065 -5.556 1.00 0.00 C ATOM 1292 CG HIS A 82 9.412 -13.154 -6.532 1.00 0.00 C ATOM 1293 ND1 HIS A 82 10.347 -14.135 -6.240 1.00 0.00 N ATOM 1294 CD2 HIS A 82 8.958 -13.437 -7.796 1.00 0.00 C ATOM 1295 CE1 HIS A 82 10.425 -14.953 -7.305 1.00 0.00 C ATOM 1296 NE2 HIS A 82 9.599 -14.572 -8.283 1.00 0.00 N ATOM 0 H HIS A 82 9.732 -9.206 -4.703 1.00 0.00 H new ATOM 0 HA HIS A 82 11.112 -11.778 -4.959 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.731 -12.500 -4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 82 8.232 -11.471 -5.941 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.215 -12.865 -8.332 1.00 0.00 H new ATOM 0 HE1 HIS A 82 11.076 -15.813 -7.362 1.00 0.00 H new ATOM 0 HE2 HIS A 82 9.467 -15.017 -9.191 1.00 0.00 H new ATOM 1304 N ASP A 83 11.423 -11.182 -7.472 1.00 0.00 N ATOM 1305 CA ASP A 83 11.855 -10.592 -8.777 1.00 0.00 C ATOM 1306 C ASP A 83 12.534 -9.237 -8.532 1.00 0.00 C ATOM 1307 O ASP A 83 12.424 -8.324 -9.327 1.00 0.00 O ATOM 1308 CB ASP A 83 10.640 -10.407 -9.701 1.00 0.00 C ATOM 1309 CG ASP A 83 10.107 -11.774 -10.145 1.00 0.00 C ATOM 1310 OD1 ASP A 83 10.828 -12.749 -10.000 1.00 0.00 O ATOM 1311 OD2 ASP A 83 8.988 -11.823 -10.624 1.00 0.00 O ATOM 0 H ASP A 83 11.750 -12.133 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 83 12.563 -11.268 -9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.858 -9.854 -9.181 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.922 -9.817 -10.573 1.00 0.00 H new ATOM 1316 N GLY A 84 13.235 -9.100 -7.433 1.00 0.00 N ATOM 1317 CA GLY A 84 13.923 -7.807 -7.127 1.00 0.00 C ATOM 1318 C GLY A 84 15.078 -8.062 -6.156 1.00 0.00 C ATOM 1319 O GLY A 84 14.910 -8.037 -4.952 1.00 0.00 O ATOM 0 H GLY A 84 13.361 -9.831 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.299 -7.356 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.216 -7.101 -6.691 1.00 0.00 H new ATOM 1323 N LEU A 85 16.257 -8.307 -6.672 1.00 0.00 N ATOM 1324 CA LEU A 85 17.440 -8.563 -5.789 1.00 0.00 C ATOM 1325 C LEU A 85 18.107 -7.223 -5.445 1.00 0.00 C ATOM 1326 O LEU A 85 19.079 -7.179 -4.723 1.00 0.00 O ATOM 1327 CB LEU A 85 18.443 -9.477 -6.528 1.00 0.00 C ATOM 1328 CG LEU A 85 17.986 -10.958 -6.483 1.00 0.00 C ATOM 1329 CD1 LEU A 85 18.082 -11.541 -5.045 1.00 0.00 C ATOM 1330 CD2 LEU A 85 16.539 -11.076 -7.002 1.00 0.00 C ATOM 0 H LEU A 85 16.453 -8.341 -7.672 1.00 0.00 H new ATOM 0 HA LEU A 85 17.120 -9.055 -4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 85 18.539 -9.154 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.429 -9.383 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 85 18.653 -11.535 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 85 17.754 -12.580 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.114 -11.488 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 85 17.445 -10.963 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.224 -12.119 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 85 15.878 -10.477 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 85 16.491 -10.716 -8.030 1.00 0.00 H new ATOM 1342 N GLU A 86 17.583 -6.137 -5.963 1.00 0.00 N ATOM 1343 CA GLU A 86 18.168 -4.787 -5.676 1.00 0.00 C ATOM 1344 C GLU A 86 19.666 -4.777 -6.006 1.00 0.00 C ATOM 1345 O GLU A 86 20.479 -5.323 -5.287 1.00 0.00 O ATOM 1346 CB GLU A 86 17.963 -4.435 -4.194 1.00 0.00 C ATOM 1347 CG GLU A 86 16.467 -4.256 -3.906 1.00 0.00 C ATOM 1348 CD GLU A 86 15.757 -5.612 -3.979 1.00 0.00 C ATOM 1349 OE1 GLU A 86 16.333 -6.588 -3.523 1.00 0.00 O ATOM 1350 OE2 GLU A 86 14.652 -5.652 -4.493 1.00 0.00 O ATOM 0 H GLU A 86 16.769 -6.128 -6.577 1.00 0.00 H new ATOM 0 HA GLU A 86 17.664 -4.047 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.373 -5.224 -3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.502 -3.520 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.328 -3.815 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.029 -3.567 -4.628 1.00 0.00 H new ATOM 1357 N HIS A 87 20.036 -4.145 -7.089 1.00 0.00 N ATOM 1358 CA HIS A 87 21.479 -4.087 -7.470 1.00 0.00 C ATOM 1359 C HIS A 87 22.227 -3.173 -6.496 1.00 0.00 C ATOM 1360 O HIS A 87 21.672 -2.235 -5.962 1.00 0.00 O ATOM 1361 CB HIS A 87 21.612 -3.524 -8.890 1.00 0.00 C ATOM 1362 CG HIS A 87 21.013 -4.487 -9.878 1.00 0.00 C ATOM 1363 ND1 HIS A 87 19.669 -4.464 -10.211 1.00 0.00 N ATOM 1364 CD2 HIS A 87 21.565 -5.506 -10.614 1.00 0.00 C ATOM 1365 CE1 HIS A 87 19.456 -5.443 -11.111 1.00 0.00 C ATOM 1366 NE2 HIS A 87 20.579 -6.109 -11.391 1.00 0.00 N ATOM 0 H HIS A 87 19.401 -3.666 -7.727 1.00 0.00 H new ATOM 0 HA HIS A 87 21.903 -5.091 -7.432 1.00 0.00 H new ATOM 0 HB2 HIS A 87 21.109 -2.560 -8.957 1.00 0.00 H new ATOM 0 HB3 HIS A 87 22.662 -3.353 -9.126 1.00 0.00 H new ATOM 0 HD2 HIS A 87 22.605 -5.796 -10.594 1.00 0.00 H new ATOM 0 HE1 HIS A 87 18.495 -5.662 -11.552 1.00 0.00 H new ATOM 0 HE2 HIS A 87 20.691 -6.892 -12.036 1.00 0.00 H new ATOM 1374 N HIS A 88 23.484 -3.447 -6.260 1.00 0.00 N ATOM 1375 CA HIS A 88 24.287 -2.606 -5.320 1.00 0.00 C ATOM 1376 C HIS A 88 23.555 -2.473 -3.980 1.00 0.00 C ATOM 1377 O HIS A 88 22.467 -2.984 -3.803 1.00 0.00 O ATOM 1378 CB HIS A 88 24.504 -1.217 -5.928 1.00 0.00 C ATOM 1379 CG HIS A 88 25.296 -1.345 -7.201 1.00 0.00 C ATOM 1380 ND1 HIS A 88 24.690 -1.596 -8.422 1.00 0.00 N ATOM 1381 CD2 HIS A 88 26.641 -1.255 -7.460 1.00 0.00 C ATOM 1382 CE1 HIS A 88 25.661 -1.649 -9.352 1.00 0.00 C ATOM 1383 NE2 HIS A 88 26.869 -1.449 -8.819 1.00 0.00 N ATOM 0 H HIS A 88 23.993 -4.224 -6.681 1.00 0.00 H new ATOM 0 HA HIS A 88 25.253 -3.083 -5.153 1.00 0.00 H new ATOM 0 HB2 HIS A 88 23.544 -0.743 -6.131 1.00 0.00 H new ATOM 0 HB3 HIS A 88 25.032 -0.577 -5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 88 27.406 -1.063 -6.722 1.00 0.00 H new ATOM 0 HE1 HIS A 88 25.485 -1.831 -10.402 1.00 0.00 H new ATOM 0 HE2 HIS A 88 27.766 -1.440 -9.304 1.00 0.00 H new ATOM 1391 N HIS A 89 24.146 -1.789 -3.030 1.00 0.00 N ATOM 1392 CA HIS A 89 23.487 -1.623 -1.693 1.00 0.00 C ATOM 1393 C HIS A 89 22.531 -0.428 -1.730 1.00 0.00 C ATOM 1394 O HIS A 89 22.788 0.569 -2.375 1.00 0.00 O ATOM 1395 CB HIS A 89 24.558 -1.387 -0.624 1.00 0.00 C ATOM 1396 CG HIS A 89 25.363 -0.165 -0.967 1.00 0.00 C ATOM 1397 ND1 HIS A 89 26.319 -0.167 -1.969 1.00 0.00 N ATOM 1398 CD2 HIS A 89 25.370 1.103 -0.443 1.00 0.00 C ATOM 1399 CE1 HIS A 89 26.858 1.064 -2.016 1.00 0.00 C ATOM 1400 NE2 HIS A 89 26.316 1.879 -1.107 1.00 0.00 N ATOM 0 H HIS A 89 25.056 -1.338 -3.121 1.00 0.00 H new ATOM 0 HA HIS A 89 22.924 -2.525 -1.455 1.00 0.00 H new ATOM 0 HB2 HIS A 89 24.089 -1.262 0.352 1.00 0.00 H new ATOM 0 HB3 HIS A 89 25.212 -2.256 -0.554 1.00 0.00 H new ATOM 0 HD2 HIS A 89 24.738 1.447 0.362 1.00 0.00 H new ATOM 0 HE1 HIS A 89 27.635 1.358 -2.706 1.00 0.00 H new ATOM 0 HE2 HIS A 89 26.546 2.858 -0.936 1.00 0.00 H new ATOM 1408 N HIS A 90 21.423 -0.528 -1.042 1.00 0.00 N ATOM 1409 CA HIS A 90 20.436 0.593 -1.029 1.00 0.00 C ATOM 1410 C HIS A 90 20.991 1.755 -0.204 1.00 0.00 C ATOM 1411 O HIS A 90 21.642 1.558 0.802 1.00 0.00 O ATOM 1412 CB HIS A 90 19.126 0.100 -0.406 1.00 0.00 C ATOM 1413 CG HIS A 90 18.075 1.172 -0.513 1.00 0.00 C ATOM 1414 ND1 HIS A 90 17.963 2.194 0.416 1.00 0.00 N ATOM 1415 CD2 HIS A 90 17.077 1.389 -1.432 1.00 0.00 C ATOM 1416 CE1 HIS A 90 16.930 2.971 0.042 1.00 0.00 C ATOM 1417 NE2 HIS A 90 16.355 2.524 -1.079 1.00 0.00 N ATOM 0 H HIS A 90 21.158 -1.341 -0.486 1.00 0.00 H new ATOM 0 HA HIS A 90 20.253 0.933 -2.048 1.00 0.00 H new ATOM 0 HB2 HIS A 90 18.789 -0.804 -0.913 1.00 0.00 H new ATOM 0 HB3 HIS A 90 19.286 -0.162 0.640 1.00 0.00 H new ATOM 0 HD1 HIS A 90 18.556 2.332 1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 90 16.883 0.772 -2.297 1.00 0.00 H new ATOM 0 HE1 HIS A 90 16.605 3.848 0.581 1.00 0.00 H new ATOM 1425 N HIS A 91 20.741 2.969 -0.624 1.00 0.00 N ATOM 1426 CA HIS A 91 21.257 4.148 0.132 1.00 0.00 C ATOM 1427 C HIS A 91 20.467 4.318 1.431 1.00 0.00 C ATOM 1428 O HIS A 91 19.269 4.126 1.469 1.00 0.00 O ATOM 1429 CB HIS A 91 21.097 5.409 -0.722 1.00 0.00 C ATOM 1430 CG HIS A 91 21.935 5.286 -1.964 1.00 0.00 C ATOM 1431 ND1 HIS A 91 23.315 5.406 -1.939 1.00 0.00 N ATOM 1432 CD2 HIS A 91 21.602 5.056 -3.276 1.00 0.00 C ATOM 1433 CE1 HIS A 91 23.759 5.252 -3.200 1.00 0.00 C ATOM 1434 NE2 HIS A 91 22.754 5.036 -4.055 1.00 0.00 N ATOM 0 H HIS A 91 20.201 3.194 -1.459 1.00 0.00 H new ATOM 0 HA HIS A 91 22.310 3.990 0.366 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.050 5.549 -0.990 1.00 0.00 H new ATOM 0 HB3 HIS A 91 21.400 6.287 -0.152 1.00 0.00 H new ATOM 0 HD2 HIS A 91 20.598 4.912 -3.647 1.00 0.00 H new ATOM 0 HE1 HIS A 91 24.799 5.297 -3.486 1.00 0.00 H new ATOM 0 HE2 HIS A 91 22.818 4.888 -5.062 1.00 0.00 H new ATOM 1442 N HIS A 92 21.133 4.681 2.499 1.00 0.00 N ATOM 1443 CA HIS A 92 20.432 4.872 3.805 1.00 0.00 C ATOM 1444 C HIS A 92 19.576 3.643 4.128 1.00 0.00 C ATOM 1445 O HIS A 92 19.972 2.554 3.747 1.00 0.00 O ATOM 1446 CB HIS A 92 19.538 6.114 3.730 1.00 0.00 C ATOM 1447 CG HIS A 92 20.388 7.329 3.475 1.00 0.00 C ATOM 1448 ND1 HIS A 92 21.165 7.908 4.465 1.00 0.00 N ATOM 1449 CD2 HIS A 92 20.592 8.087 2.348 1.00 0.00 C ATOM 1450 CE1 HIS A 92 21.794 8.966 3.920 1.00 0.00 C ATOM 1451 NE2 HIS A 92 21.480 9.119 2.632 1.00 0.00 N ATOM 1452 OXT HIS A 92 18.540 3.814 4.750 1.00 0.00 O ATOM 0 H HIS A 92 22.138 4.854 2.522 1.00 0.00 H new ATOM 0 HA HIS A 92 21.175 5.004 4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 92 18.802 5.998 2.934 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.984 6.233 4.661 1.00 0.00 H new ATOM 0 HD2 HIS A 92 20.133 7.909 1.387 1.00 0.00 H new ATOM 0 HE1 HIS A 92 22.470 9.612 4.459 1.00 0.00 H new ATOM 0 HE2 HIS A 92 21.819 9.838 1.993 1.00 0.00 H new TER 1460 HIS A 92