USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 768 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 47 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 53 GLN : amide:sc= 0.975 K(o=0.98,f=-0.86) USER MOD Set 2.1: A 44 HIS : no HE2:sc= -0.291 K(o=-0.69,f=-3.4!) USER MOD Set 2.2: A 93 MET CE :methyl -173:sc= -0.401 (180deg=-0.446) USER MOD Set 3.1: A 34 CYS SG : rot -150:sc= -0.294 USER MOD Set 3.2: A 69 MET CE :methyl -172:sc= 0 (180deg=-0.0621) USER MOD Set 4.1: A 29 ASN : amide:sc=-0.000565 X(o=-0.00056,f=-0.49) USER MOD Set 4.2: A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 2 MET CE :methyl -162:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 2.68 (180deg=0.491) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= 0.152 (180deg=-0.0284) USER MOD Single : A 21 SER OG : rot 114:sc= 1.2 USER MOD Single : A 22 CYS SG : rot 34:sc= -0.212 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.99 K(o=0.99,f=-0.5) USER MOD Single : A 32 SER OG : rot -86:sc= 0.546 USER MOD Single : A 35 THR OG1 : rot 71:sc= 0.696 USER MOD Single : A 37 HIS : no HE2:sc= 0.512 K(o=0.51,f=-2.7!) USER MOD Single : A 48 THR OG1 : rot 120:sc= 1.27 USER MOD Single : A 54 SER OG : rot -79:sc= 0.786 USER MOD Single : A 63 SER OG : rot -67:sc= 1.43 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= 2.71 (180deg=2.04) USER MOD Single : A 72 LYS NZ :NH3+ 157:sc= 1.28 (180deg=-0.273!) USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 2.41 (180deg=2.34) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.424 K(o=0.42,f=-1.9!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.15) USER MOD Single : A 88 SER OG : rot 32:sc= 0.304 USER MOD Single : A 89 HIS : no HE2:sc= 0.804 K(o=0.8,f=-3.2!) USER MOD Single : A 91 THR OG1 : rot 85:sc= 1.35 USER MOD Single : A 98 LYS NZ :NH3+ 175:sc= 3.5 (180deg=3.39) USER MOD Single : A 99 HIS : no HE2:sc= -0.72 K(o=-0.72,f=-2.9!) USER MOD Single : A 100 SER OG : rot 54:sc= 0.815 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.197 -10.464 -2.955 1.00 0.00 N ATOM 2 CA MET A 1 -16.158 -10.812 -1.518 1.00 0.00 C ATOM 3 C MET A 1 -15.147 -11.940 -1.294 1.00 0.00 C ATOM 4 O MET A 1 -15.189 -12.948 -1.998 1.00 0.00 O ATOM 5 CB MET A 1 -17.586 -11.142 -1.035 1.00 0.00 C ATOM 6 CG MET A 1 -17.782 -11.075 0.481 1.00 0.00 C ATOM 7 SD MET A 1 -17.081 -12.449 1.432 1.00 0.00 S ATOM 8 CE MET A 1 -17.064 -11.676 3.073 1.00 0.00 C ATOM 0 H1 MET A 1 -16.488 -9.472 -3.064 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.252 -10.595 -3.370 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.878 -11.080 -3.443 1.00 0.00 H new ATOM 0 HA MET A 1 -15.815 -9.971 -0.915 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.283 -10.451 -1.508 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.848 -12.143 -1.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.342 -10.146 0.844 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.851 -11.024 0.688 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.660 -12.378 3.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.442 -10.781 3.047 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.080 -11.403 3.357 1.00 0.00 H new ATOM 18 N MET A 2 -14.196 -11.738 -0.373 1.00 0.00 N ATOM 19 CA MET A 2 -12.979 -12.520 -0.056 1.00 0.00 C ATOM 20 C MET A 2 -12.005 -12.821 -1.214 1.00 0.00 C ATOM 21 O MET A 2 -10.821 -12.501 -1.093 1.00 0.00 O ATOM 22 CB MET A 2 -13.335 -13.811 0.702 1.00 0.00 C ATOM 23 CG MET A 2 -13.627 -13.544 2.180 1.00 0.00 C ATOM 24 SD MET A 2 -14.122 -15.025 3.101 1.00 0.00 S ATOM 25 CE MET A 2 -14.201 -14.328 4.774 1.00 0.00 C ATOM 0 H MET A 2 -14.263 -10.929 0.244 1.00 0.00 H new ATOM 0 HA MET A 2 -12.412 -11.839 0.579 1.00 0.00 H new ATOM 0 HB2 MET A 2 -14.205 -14.276 0.238 1.00 0.00 H new ATOM 0 HB3 MET A 2 -12.512 -14.520 0.617 1.00 0.00 H new ATOM 0 HG2 MET A 2 -12.739 -13.117 2.646 1.00 0.00 H new ATOM 0 HG3 MET A 2 -14.418 -12.798 2.256 1.00 0.00 H new ATOM 0 HE1 MET A 2 -14.175 -15.135 5.506 1.00 0.00 H new ATOM 0 HE2 MET A 2 -13.350 -13.666 4.933 1.00 0.00 H new ATOM 0 HE3 MET A 2 -15.126 -13.763 4.890 1.00 0.00 H new ATOM 35 N LEU A 3 -12.471 -13.423 -2.312 1.00 0.00 N ATOM 36 CA LEU A 3 -11.678 -13.781 -3.502 1.00 0.00 C ATOM 37 C LEU A 3 -12.578 -13.930 -4.758 1.00 0.00 C ATOM 38 O LEU A 3 -12.437 -14.847 -5.572 1.00 0.00 O ATOM 39 CB LEU A 3 -10.822 -15.031 -3.189 1.00 0.00 C ATOM 40 CG LEU A 3 -9.373 -15.024 -3.730 1.00 0.00 C ATOM 41 CD1 LEU A 3 -9.275 -14.874 -5.246 1.00 0.00 C ATOM 42 CD2 LEU A 3 -8.509 -13.929 -3.095 1.00 0.00 C ATOM 0 H LEU A 3 -13.452 -13.687 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.988 -12.973 -3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.782 -15.156 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.333 -15.905 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.997 -16.008 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.227 -14.878 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.793 -15.703 -5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.735 -13.933 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.503 -13.972 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.947 -12.953 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.461 -14.082 -2.017 1.00 0.00 H new ATOM 54 N GLY A 4 -13.561 -13.034 -4.867 1.00 0.00 N ATOM 55 CA GLY A 4 -14.410 -12.826 -6.050 1.00 0.00 C ATOM 56 C GLY A 4 -14.752 -11.336 -6.271 1.00 0.00 C ATOM 57 O GLY A 4 -14.726 -10.562 -5.306 1.00 0.00 O ATOM 0 H GLY A 4 -13.800 -12.404 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.901 -13.215 -6.932 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.333 -13.395 -5.937 1.00 0.00 H new ATOM 61 N PRO A 5 -15.053 -10.896 -7.511 1.00 0.00 N ATOM 62 CA PRO A 5 -15.300 -9.487 -7.850 1.00 0.00 C ATOM 63 C PRO A 5 -16.766 -9.029 -7.688 1.00 0.00 C ATOM 64 O PRO A 5 -17.058 -7.849 -7.877 1.00 0.00 O ATOM 65 CB PRO A 5 -14.876 -9.378 -9.321 1.00 0.00 C ATOM 66 CG PRO A 5 -15.295 -10.735 -9.886 1.00 0.00 C ATOM 67 CD PRO A 5 -14.988 -11.692 -8.732 1.00 0.00 C ATOM 0 HA PRO A 5 -14.747 -8.840 -7.168 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.378 -8.554 -9.828 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.804 -9.209 -9.423 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.351 -10.752 -10.156 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -14.732 -10.990 -10.784 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.709 -12.509 -8.702 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -14.002 -12.141 -8.851 1.00 0.00 H new ATOM 75 N GLU A 6 -17.707 -9.925 -7.372 1.00 0.00 N ATOM 76 CA GLU A 6 -19.164 -9.663 -7.371 1.00 0.00 C ATOM 77 C GLU A 6 -19.674 -8.689 -6.276 1.00 0.00 C ATOM 78 O GLU A 6 -20.848 -8.309 -6.268 1.00 0.00 O ATOM 79 CB GLU A 6 -19.927 -11.004 -7.340 1.00 0.00 C ATOM 80 CG GLU A 6 -20.017 -11.706 -5.971 1.00 0.00 C ATOM 81 CD GLU A 6 -18.645 -11.936 -5.316 1.00 0.00 C ATOM 82 OE1 GLU A 6 -17.736 -12.487 -5.979 1.00 0.00 O ATOM 83 OE2 GLU A 6 -18.449 -11.520 -4.152 1.00 0.00 O ATOM 0 H GLU A 6 -17.478 -10.881 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 6 -19.370 -9.128 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -20.940 -10.830 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.449 -11.686 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.635 -11.107 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.519 -12.666 -6.095 1.00 0.00 H new ATOM 90 N GLY A 7 -18.797 -8.285 -5.357 1.00 0.00 N ATOM 91 CA GLY A 7 -19.032 -7.364 -4.237 1.00 0.00 C ATOM 92 C GLY A 7 -17.740 -7.149 -3.440 1.00 0.00 C ATOM 93 O GLY A 7 -16.721 -7.773 -3.750 1.00 0.00 O ATOM 0 H GLY A 7 -17.832 -8.615 -5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.397 -6.409 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.807 -7.766 -3.584 1.00 0.00 H new ATOM 97 N GLY A 8 -17.754 -6.315 -2.397 1.00 0.00 N ATOM 98 CA GLY A 8 -16.548 -6.031 -1.605 1.00 0.00 C ATOM 99 C GLY A 8 -16.781 -5.493 -0.189 1.00 0.00 C ATOM 100 O GLY A 8 -17.885 -5.088 0.181 1.00 0.00 O ATOM 0 H GLY A 8 -18.588 -5.822 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -15.962 -6.947 -1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -15.942 -5.308 -2.151 1.00 0.00 H new ATOM 104 N GLU A 9 -15.707 -5.512 0.601 1.00 0.00 N ATOM 105 CA GLU A 9 -15.714 -5.343 2.063 1.00 0.00 C ATOM 106 C GLU A 9 -14.559 -4.499 2.630 1.00 0.00 C ATOM 107 O GLU A 9 -14.566 -4.173 3.820 1.00 0.00 O ATOM 108 CB GLU A 9 -15.705 -6.734 2.728 1.00 0.00 C ATOM 109 CG GLU A 9 -14.447 -7.582 2.455 1.00 0.00 C ATOM 110 CD GLU A 9 -14.493 -8.312 1.107 1.00 0.00 C ATOM 111 OE1 GLU A 9 -14.107 -7.724 0.069 1.00 0.00 O ATOM 112 OE2 GLU A 9 -14.915 -9.486 1.072 1.00 0.00 O ATOM 0 H GLU A 9 -14.767 -5.651 0.229 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.621 -4.785 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.810 -6.605 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -16.579 -7.288 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.569 -6.937 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.330 -8.314 3.254 1.00 0.00 H new ATOM 119 N GLY A 10 -13.582 -4.131 1.797 1.00 0.00 N ATOM 120 CA GLY A 10 -12.387 -3.396 2.212 1.00 0.00 C ATOM 121 C GLY A 10 -11.961 -2.283 1.256 1.00 0.00 C ATOM 122 O GLY A 10 -12.441 -2.169 0.126 1.00 0.00 O ATOM 0 H GLY A 10 -13.601 -4.340 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.566 -2.963 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.562 -4.100 2.319 1.00 0.00 H new ATOM 126 N PHE A 11 -11.054 -1.440 1.744 1.00 0.00 N ATOM 127 CA PHE A 11 -10.781 -0.098 1.222 1.00 0.00 C ATOM 128 C PHE A 11 -9.456 -0.055 0.481 1.00 0.00 C ATOM 129 O PHE A 11 -8.409 0.263 1.037 1.00 0.00 O ATOM 130 CB PHE A 11 -10.779 0.848 2.410 1.00 0.00 C ATOM 131 CG PHE A 11 -12.167 1.183 2.883 1.00 0.00 C ATOM 132 CD1 PHE A 11 -12.881 2.177 2.201 1.00 0.00 C ATOM 133 CD2 PHE A 11 -12.762 0.487 3.952 1.00 0.00 C ATOM 134 CE1 PHE A 11 -14.173 2.523 2.623 1.00 0.00 C ATOM 135 CE2 PHE A 11 -14.066 0.821 4.361 1.00 0.00 C ATOM 136 CZ PHE A 11 -14.768 1.850 3.705 1.00 0.00 C ATOM 0 H PHE A 11 -10.466 -1.679 2.543 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.544 0.195 0.500 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.219 0.396 3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.260 1.767 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.437 2.676 1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.220 -0.300 4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.713 3.309 2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.529 0.288 5.178 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.761 2.122 4.032 1.00 0.00 H new ATOM 146 N VAL A 12 -9.473 -0.501 -0.764 1.00 0.00 N ATOM 147 CA VAL A 12 -8.226 -0.892 -1.420 1.00 0.00 C ATOM 148 C VAL A 12 -7.373 0.325 -1.765 1.00 0.00 C ATOM 149 O VAL A 12 -7.847 1.344 -2.270 1.00 0.00 O ATOM 150 CB VAL A 12 -8.408 -1.838 -2.617 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.034 -2.310 -3.132 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.197 -3.085 -2.198 1.00 0.00 C ATOM 0 H VAL A 12 -10.313 -0.602 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.682 -1.485 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.944 -1.293 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.174 -2.980 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.446 -1.447 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.509 -2.838 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.317 -3.745 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.657 -3.610 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.178 -2.788 -1.829 1.00 0.00 H new ATOM 162 N VAL A 13 -6.072 0.154 -1.581 1.00 0.00 N ATOM 163 CA VAL A 13 -5.052 0.895 -2.300 1.00 0.00 C ATOM 164 C VAL A 13 -4.125 -0.059 -3.034 1.00 0.00 C ATOM 165 O VAL A 13 -3.709 -1.083 -2.501 1.00 0.00 O ATOM 166 CB VAL A 13 -4.245 1.812 -1.370 1.00 0.00 C ATOM 167 CG1 VAL A 13 -5.113 2.948 -0.826 1.00 0.00 C ATOM 168 CG2 VAL A 13 -3.564 1.098 -0.195 1.00 0.00 C ATOM 0 H VAL A 13 -5.691 -0.517 -0.914 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.560 1.530 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.449 2.204 -2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.515 3.581 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.495 3.543 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.948 2.530 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.018 1.825 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.319 0.611 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.870 0.349 -0.577 1.00 0.00 H new ATOM 178 N LYS A 14 -3.808 0.269 -4.278 1.00 0.00 N ATOM 179 CA LYS A 14 -2.749 -0.373 -5.058 1.00 0.00 C ATOM 180 C LYS A 14 -1.420 0.212 -4.599 1.00 0.00 C ATOM 181 O LYS A 14 -1.342 1.382 -4.233 1.00 0.00 O ATOM 182 CB LYS A 14 -3.014 -0.062 -6.530 1.00 0.00 C ATOM 183 CG LYS A 14 -1.835 -0.130 -7.517 1.00 0.00 C ATOM 184 CD LYS A 14 -2.298 0.261 -8.925 1.00 0.00 C ATOM 185 CE LYS A 14 -1.154 0.208 -9.946 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.170 -1.041 -10.753 1.00 0.00 N ATOM 0 H LYS A 14 -4.290 1.008 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.723 -1.454 -4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.781 -0.751 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.437 0.941 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.039 0.538 -7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.420 -1.138 -7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.097 -0.409 -9.242 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.716 1.267 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.225 1.068 -10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.201 0.287 -9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.257 -1.152 -11.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.331 -1.856 -10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.933 -0.989 -11.458 1.00 0.00 H new ATOM 200 N LEU A 15 -0.375 -0.587 -4.671 1.00 0.00 N ATOM 201 CA LEU A 15 0.958 -0.325 -4.171 1.00 0.00 C ATOM 202 C LEU A 15 1.942 -0.748 -5.245 1.00 0.00 C ATOM 203 O LEU A 15 1.984 -1.920 -5.612 1.00 0.00 O ATOM 204 CB LEU A 15 1.084 -1.102 -2.844 1.00 0.00 C ATOM 205 CG LEU A 15 0.595 -0.207 -1.707 1.00 0.00 C ATOM 206 CD1 LEU A 15 -0.204 -0.969 -0.668 1.00 0.00 C ATOM 207 CD2 LEU A 15 1.738 0.557 -1.095 1.00 0.00 C ATOM 0 H LEU A 15 -0.441 -1.504 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 15 1.165 0.724 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.495 -2.018 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.120 -1.397 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.094 0.518 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.527 -0.285 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.078 -1.419 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.417 -1.752 -0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.364 1.187 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.473 -0.144 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.207 1.182 -1.855 1.00 0.00 H new ATOM 219 N ARG A 16 2.711 0.204 -5.781 1.00 0.00 N ATOM 220 CA ARG A 16 3.664 -0.068 -6.868 1.00 0.00 C ATOM 221 C ARG A 16 5.008 0.616 -6.673 1.00 0.00 C ATOM 222 O ARG A 16 5.079 1.747 -6.213 1.00 0.00 O ATOM 223 CB ARG A 16 3.029 0.318 -8.211 1.00 0.00 C ATOM 224 CG ARG A 16 3.848 -0.231 -9.397 1.00 0.00 C ATOM 225 CD ARG A 16 4.629 0.811 -10.199 1.00 0.00 C ATOM 226 NE ARG A 16 3.807 1.927 -10.690 1.00 0.00 N ATOM 227 CZ ARG A 16 2.807 1.939 -11.546 1.00 0.00 C ATOM 228 NH1 ARG A 16 2.306 0.861 -12.082 1.00 0.00 N ATOM 229 NH2 ARG A 16 2.297 3.090 -11.864 1.00 0.00 N ATOM 0 H ARG A 16 2.694 1.178 -5.479 1.00 0.00 H new ATOM 0 HA ARG A 16 3.878 -1.137 -6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.011 -0.069 -8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.961 1.403 -8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.551 -0.973 -9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.170 -0.751 -10.074 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.429 1.210 -9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.102 0.320 -11.049 1.00 0.00 H new ATOM 0 HE ARG A 16 4.051 2.839 -10.305 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.690 -0.053 -11.843 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.530 0.932 -12.740 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.672 3.945 -11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.521 3.139 -12.524 1.00 0.00 H new ATOM 243 N GLY A 17 6.075 -0.084 -7.040 1.00 0.00 N ATOM 244 CA GLY A 17 7.457 0.373 -6.927 1.00 0.00 C ATOM 245 C GLY A 17 8.285 -0.454 -5.925 1.00 0.00 C ATOM 246 O GLY A 17 9.498 -0.596 -6.069 1.00 0.00 O ATOM 0 H GLY A 17 6.000 -1.020 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.931 0.326 -7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.464 1.419 -6.620 1.00 0.00 H new ATOM 250 N LEU A 18 7.573 -1.003 -4.937 1.00 0.00 N ATOM 251 CA LEU A 18 7.956 -1.830 -3.785 1.00 0.00 C ATOM 252 C LEU A 18 9.171 -2.766 -3.984 1.00 0.00 C ATOM 253 O LEU A 18 9.401 -3.253 -5.095 1.00 0.00 O ATOM 254 CB LEU A 18 6.725 -2.631 -3.282 1.00 0.00 C ATOM 255 CG LEU A 18 5.298 -2.192 -3.697 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.322 -3.305 -3.358 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.802 -0.905 -3.031 1.00 0.00 C ATOM 0 H LEU A 18 6.564 -0.855 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 18 8.298 -1.118 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.855 -3.664 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.761 -2.632 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 18 5.351 -1.989 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.314 -3.006 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.600 -4.210 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.350 -3.499 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.796 -0.678 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.787 -1.038 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.470 -0.082 -3.287 1.00 0.00 H new ATOM 269 N PRO A 19 9.960 -3.029 -2.923 1.00 0.00 N ATOM 270 CA PRO A 19 11.319 -3.562 -3.028 1.00 0.00 C ATOM 271 C PRO A 19 11.395 -5.088 -3.207 1.00 0.00 C ATOM 272 O PRO A 19 10.407 -5.813 -3.088 1.00 0.00 O ATOM 273 CB PRO A 19 12.027 -3.148 -1.721 1.00 0.00 C ATOM 274 CG PRO A 19 10.996 -2.351 -0.925 1.00 0.00 C ATOM 275 CD PRO A 19 9.670 -2.764 -1.522 1.00 0.00 C ATOM 0 HA PRO A 19 11.789 -3.160 -3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.361 -4.023 -1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.911 -2.546 -1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.045 -2.586 0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.160 -1.278 -1.022 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.271 -3.649 -1.026 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.925 -1.976 -1.414 1.00 0.00 H new ATOM 283 N TRP A 20 12.623 -5.587 -3.396 1.00 0.00 N ATOM 284 CA TRP A 20 12.968 -7.018 -3.402 1.00 0.00 C ATOM 285 C TRP A 20 12.556 -7.774 -2.119 1.00 0.00 C ATOM 286 O TRP A 20 12.375 -8.994 -2.143 1.00 0.00 O ATOM 287 CB TRP A 20 14.480 -7.173 -3.622 1.00 0.00 C ATOM 288 CG TRP A 20 15.053 -6.493 -4.831 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.282 -7.073 -6.031 1.00 0.00 C ATOM 290 CD2 TRP A 20 15.504 -5.109 -4.968 1.00 0.00 C ATOM 291 NE1 TRP A 20 15.860 -6.156 -6.890 1.00 0.00 N ATOM 292 CE2 TRP A 20 16.041 -4.932 -6.279 1.00 0.00 C ATOM 293 CE3 TRP A 20 15.516 -3.988 -4.112 1.00 0.00 C ATOM 294 CZ2 TRP A 20 16.583 -3.712 -6.711 1.00 0.00 C ATOM 295 CZ3 TRP A 20 16.050 -2.754 -4.537 1.00 0.00 C ATOM 296 CH2 TRP A 20 16.588 -2.615 -5.830 1.00 0.00 C ATOM 0 H TRP A 20 13.433 -4.987 -3.554 1.00 0.00 H new ATOM 0 HA TRP A 20 12.399 -7.468 -4.216 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.994 -6.791 -2.740 1.00 0.00 H new ATOM 0 HB3 TRP A 20 14.708 -8.237 -3.689 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.049 -8.097 -6.281 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.120 -6.359 -7.855 1.00 0.00 H new ATOM 0 HE3 TRP A 20 15.110 -4.076 -3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.991 -3.616 -7.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 16.046 -1.909 -3.865 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.003 -1.669 -6.145 1.00 0.00 H new ATOM 307 N SER A 21 12.402 -7.058 -1.000 1.00 0.00 N ATOM 308 CA SER A 21 11.988 -7.569 0.315 1.00 0.00 C ATOM 309 C SER A 21 10.524 -8.015 0.410 1.00 0.00 C ATOM 310 O SER A 21 10.187 -8.754 1.338 1.00 0.00 O ATOM 311 CB SER A 21 12.187 -6.463 1.369 1.00 0.00 C ATOM 312 OG SER A 21 11.661 -5.221 0.923 1.00 0.00 O ATOM 0 H SER A 21 12.571 -6.052 -0.985 1.00 0.00 H new ATOM 0 HA SER A 21 12.607 -8.450 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.699 -6.753 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.249 -6.353 1.587 1.00 0.00 H new ATOM 0 HG SER A 21 10.897 -4.969 1.483 1.00 0.00 H new ATOM 318 N CYS A 22 9.643 -7.491 -0.453 1.00 0.00 N ATOM 319 CA CYS A 22 8.365 -6.994 0.059 1.00 0.00 C ATOM 320 C CYS A 22 7.451 -8.016 0.759 1.00 0.00 C ATOM 321 O CYS A 22 7.306 -9.174 0.359 1.00 0.00 O ATOM 322 CB CYS A 22 7.621 -6.172 -1.002 1.00 0.00 C ATOM 323 SG CYS A 22 6.859 -4.743 -0.176 1.00 0.00 S ATOM 0 H CYS A 22 9.782 -7.403 -1.460 1.00 0.00 H new ATOM 0 HA CYS A 22 8.653 -6.338 0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.310 -5.840 -1.779 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.860 -6.780 -1.490 1.00 0.00 H new ATOM 0 HG CYS A 22 7.623 -4.347 0.798 1.00 0.00 H new ATOM 329 N SER A 23 6.804 -7.527 1.814 1.00 0.00 N ATOM 330 CA SER A 23 5.794 -8.194 2.633 1.00 0.00 C ATOM 331 C SER A 23 4.817 -7.164 3.158 1.00 0.00 C ATOM 332 O SER A 23 5.039 -5.956 3.112 1.00 0.00 O ATOM 333 CB SER A 23 6.401 -8.895 3.862 1.00 0.00 C ATOM 334 OG SER A 23 7.097 -7.976 4.694 1.00 0.00 O ATOM 0 H SER A 23 6.986 -6.580 2.145 1.00 0.00 H new ATOM 0 HA SER A 23 5.314 -8.937 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.609 -9.379 4.434 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.083 -9.680 3.535 1.00 0.00 H new ATOM 0 HG SER A 23 7.469 -8.451 5.466 1.00 0.00 H new ATOM 340 N VAL A 24 3.767 -7.659 3.785 1.00 0.00 N ATOM 341 CA VAL A 24 2.976 -6.932 4.742 1.00 0.00 C ATOM 342 C VAL A 24 3.748 -6.067 5.723 1.00 0.00 C ATOM 343 O VAL A 24 3.388 -4.919 5.937 1.00 0.00 O ATOM 344 CB VAL A 24 2.187 -7.932 5.578 1.00 0.00 C ATOM 345 CG1 VAL A 24 1.020 -7.150 6.110 1.00 0.00 C ATOM 346 CG2 VAL A 24 1.651 -9.105 4.774 1.00 0.00 C ATOM 0 H VAL A 24 3.435 -8.611 3.632 1.00 0.00 H new ATOM 0 HA VAL A 24 2.363 -6.260 4.141 1.00 0.00 H new ATOM 0 HB VAL A 24 2.834 -8.360 6.343 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.398 -7.799 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.384 -6.318 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.430 -6.765 5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.100 -9.776 5.433 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.986 -8.737 3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.482 -9.644 4.319 1.00 0.00 H new ATOM 356 N GLU A 25 4.789 -6.563 6.374 1.00 0.00 N ATOM 357 CA GLU A 25 5.321 -5.800 7.494 1.00 0.00 C ATOM 358 C GLU A 25 6.110 -4.606 6.970 1.00 0.00 C ATOM 359 O GLU A 25 6.164 -3.573 7.613 1.00 0.00 O ATOM 360 CB GLU A 25 6.156 -6.706 8.388 1.00 0.00 C ATOM 361 CG GLU A 25 5.316 -7.796 9.063 1.00 0.00 C ATOM 362 CD GLU A 25 4.041 -7.252 9.738 1.00 0.00 C ATOM 363 OE1 GLU A 25 4.145 -6.587 10.796 1.00 0.00 O ATOM 364 OE2 GLU A 25 2.928 -7.468 9.201 1.00 0.00 O ATOM 0 H GLU A 25 5.262 -7.442 6.163 1.00 0.00 H new ATOM 0 HA GLU A 25 4.507 -5.410 8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.942 -7.172 7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.648 -6.104 9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.035 -8.542 8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.926 -8.305 9.810 1.00 0.00 H new ATOM 371 N ASP A 26 6.590 -4.707 5.737 1.00 0.00 N ATOM 372 CA ASP A 26 7.031 -3.614 4.884 1.00 0.00 C ATOM 373 C ASP A 26 5.903 -2.627 4.545 1.00 0.00 C ATOM 374 O ASP A 26 6.029 -1.423 4.768 1.00 0.00 O ATOM 375 CB ASP A 26 7.486 -4.287 3.574 1.00 0.00 C ATOM 376 CG ASP A 26 8.873 -3.864 3.058 1.00 0.00 C ATOM 377 OD1 ASP A 26 9.548 -3.024 3.692 1.00 0.00 O ATOM 378 OD2 ASP A 26 9.306 -4.406 2.016 1.00 0.00 O ATOM 0 H ASP A 26 6.687 -5.613 5.278 1.00 0.00 H new ATOM 0 HA ASP A 26 7.808 -3.042 5.391 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.487 -5.367 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.749 -4.072 2.800 1.00 0.00 H new ATOM 383 N VAL A 27 4.787 -3.149 4.022 1.00 0.00 N ATOM 384 CA VAL A 27 3.602 -2.407 3.569 1.00 0.00 C ATOM 385 C VAL A 27 2.973 -1.608 4.715 1.00 0.00 C ATOM 386 O VAL A 27 2.419 -0.533 4.501 1.00 0.00 O ATOM 387 CB VAL A 27 2.623 -3.405 2.893 1.00 0.00 C ATOM 388 CG1 VAL A 27 1.409 -3.855 3.675 1.00 0.00 C ATOM 389 CG2 VAL A 27 2.137 -2.950 1.524 1.00 0.00 C ATOM 0 H VAL A 27 4.680 -4.156 3.896 1.00 0.00 H new ATOM 0 HA VAL A 27 3.882 -1.659 2.827 1.00 0.00 H new ATOM 0 HB VAL A 27 3.283 -4.270 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.824 -4.549 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.730 -4.352 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.797 -2.989 3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.457 -3.696 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.615 -1.998 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.990 -2.829 0.857 1.00 0.00 H new ATOM 399 N GLN A 28 3.139 -2.094 5.949 1.00 0.00 N ATOM 400 CA GLN A 28 2.449 -1.611 7.146 1.00 0.00 C ATOM 401 C GLN A 28 3.348 -0.977 8.215 1.00 0.00 C ATOM 402 O GLN A 28 2.889 -0.271 9.108 1.00 0.00 O ATOM 403 CB GLN A 28 1.541 -2.728 7.653 1.00 0.00 C ATOM 404 CG GLN A 28 1.956 -3.791 8.670 1.00 0.00 C ATOM 405 CD GLN A 28 0.728 -4.456 9.301 1.00 0.00 C ATOM 406 OE1 GLN A 28 -0.254 -3.827 9.679 1.00 0.00 O ATOM 407 NE2 GLN A 28 0.706 -5.763 9.414 1.00 0.00 N ATOM 0 H GLN A 28 3.781 -2.862 6.147 1.00 0.00 H new ATOM 0 HA GLN A 28 1.837 -0.753 6.867 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.664 -2.236 8.073 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.209 -3.271 6.768 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.572 -4.546 8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.568 -3.335 9.449 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.508 -6.315 9.108 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.113 -6.227 9.807 1.00 0.00 H new ATOM 416 N ASN A 29 4.647 -1.153 8.031 1.00 0.00 N ATOM 417 CA ASN A 29 5.703 -0.207 8.445 1.00 0.00 C ATOM 418 C ASN A 29 5.655 1.085 7.605 1.00 0.00 C ATOM 419 O ASN A 29 5.627 2.182 8.168 1.00 0.00 O ATOM 420 CB ASN A 29 7.101 -0.854 8.336 1.00 0.00 C ATOM 421 CG ASN A 29 8.238 -0.051 8.956 1.00 0.00 C ATOM 422 OD1 ASN A 29 8.078 1.023 9.516 1.00 0.00 O ATOM 423 ND2 ASN A 29 9.442 -0.573 8.903 1.00 0.00 N ATOM 0 H ASN A 29 5.021 -1.984 7.574 1.00 0.00 H new ATOM 0 HA ASN A 29 5.518 0.051 9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.068 -1.834 8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.326 -1.019 7.282 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.230 -0.082 9.326 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.589 -1.469 8.439 1.00 0.00 H new ATOM 430 N PHE A 30 5.566 0.983 6.267 1.00 0.00 N ATOM 431 CA PHE A 30 5.399 2.131 5.380 1.00 0.00 C ATOM 432 C PHE A 30 4.146 2.922 5.721 1.00 0.00 C ATOM 433 O PHE A 30 4.154 4.151 5.678 1.00 0.00 O ATOM 434 CB PHE A 30 5.424 1.680 3.917 1.00 0.00 C ATOM 435 CG PHE A 30 5.260 2.831 2.955 1.00 0.00 C ATOM 436 CD1 PHE A 30 6.258 3.813 2.893 1.00 0.00 C ATOM 437 CD2 PHE A 30 4.108 2.954 2.160 1.00 0.00 C ATOM 438 CE1 PHE A 30 6.148 4.872 1.986 1.00 0.00 C ATOM 439 CE2 PHE A 30 3.976 4.045 1.279 1.00 0.00 C ATOM 440 CZ PHE A 30 5.014 4.989 1.164 1.00 0.00 C ATOM 0 H PHE A 30 5.609 0.091 5.774 1.00 0.00 H new ATOM 0 HA PHE A 30 6.239 2.810 5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.366 1.171 3.713 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.628 0.955 3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.115 3.752 3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.325 2.213 2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.939 5.604 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.077 4.157 0.691 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.940 5.796 0.450 1.00 0.00 H new ATOM 450 N LEU A 31 3.104 2.215 6.157 1.00 0.00 N ATOM 451 CA LEU A 31 1.822 2.788 6.564 1.00 0.00 C ATOM 452 C LEU A 31 1.512 2.507 8.028 1.00 0.00 C ATOM 453 O LEU A 31 0.399 2.172 8.424 1.00 0.00 O ATOM 454 CB LEU A 31 0.771 2.335 5.592 1.00 0.00 C ATOM 455 CG LEU A 31 1.040 3.162 4.332 1.00 0.00 C ATOM 456 CD1 LEU A 31 0.619 2.287 3.220 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.268 4.469 4.314 1.00 0.00 C ATOM 0 H LEU A 31 3.129 1.199 6.239 1.00 0.00 H new ATOM 0 HA LEU A 31 1.855 3.877 6.520 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.849 1.267 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.232 2.514 5.979 1.00 0.00 H new ATOM 0 HG LEU A 31 2.088 3.456 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.777 2.802 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.206 1.369 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.438 2.044 3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.497 5.014 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.801 4.261 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.553 5.072 5.176 1.00 0.00 H new ATOM 469 N SER A 32 2.543 2.708 8.833 1.00 0.00 N ATOM 470 CA SER A 32 2.450 2.886 10.286 1.00 0.00 C ATOM 471 C SER A 32 1.541 4.066 10.690 1.00 0.00 C ATOM 472 O SER A 32 1.062 4.134 11.824 1.00 0.00 O ATOM 473 CB SER A 32 3.856 3.012 10.882 1.00 0.00 C ATOM 474 OG SER A 32 4.636 4.001 10.227 1.00 0.00 O ATOM 0 H SER A 32 3.502 2.754 8.489 1.00 0.00 H new ATOM 0 HA SER A 32 1.971 1.999 10.701 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.778 3.258 11.941 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.364 2.050 10.815 1.00 0.00 H new ATOM 0 HG SER A 32 5.079 3.605 9.448 1.00 0.00 H new ATOM 480 N ASP A 33 1.218 4.946 9.735 1.00 0.00 N ATOM 481 CA ASP A 33 0.142 5.943 9.765 1.00 0.00 C ATOM 482 C ASP A 33 -1.267 5.333 9.934 1.00 0.00 C ATOM 483 O ASP A 33 -2.194 6.020 10.371 1.00 0.00 O ATOM 484 CB ASP A 33 0.117 6.683 8.411 1.00 0.00 C ATOM 485 CG ASP A 33 1.415 7.398 8.014 1.00 0.00 C ATOM 486 OD1 ASP A 33 2.449 6.722 7.799 1.00 0.00 O ATOM 487 OD2 ASP A 33 1.367 8.634 7.809 1.00 0.00 O ATOM 0 H ASP A 33 1.739 4.982 8.859 1.00 0.00 H new ATOM 0 HA ASP A 33 0.353 6.587 10.619 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.132 5.964 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.687 7.418 8.436 1.00 0.00 H new ATOM 492 N CYS A 34 -1.456 4.076 9.513 1.00 0.00 N ATOM 493 CA CYS A 34 -2.668 3.659 8.808 1.00 0.00 C ATOM 494 C CYS A 34 -3.269 2.345 9.332 1.00 0.00 C ATOM 495 O CYS A 34 -2.560 1.409 9.711 1.00 0.00 O ATOM 496 CB CYS A 34 -2.295 3.545 7.313 1.00 0.00 C ATOM 497 SG CYS A 34 -3.439 4.513 6.316 1.00 0.00 S ATOM 0 H CYS A 34 -0.777 3.327 9.651 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.450 4.400 8.975 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.276 3.898 7.156 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.323 2.501 7.002 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.560 3.968 5.142 1.00 0.00 H new ATOM 503 N THR A 35 -4.600 2.263 9.304 1.00 0.00 N ATOM 504 CA THR A 35 -5.381 1.054 9.607 1.00 0.00 C ATOM 505 C THR A 35 -5.605 0.271 8.322 1.00 0.00 C ATOM 506 O THR A 35 -6.176 0.787 7.360 1.00 0.00 O ATOM 507 CB THR A 35 -6.785 1.356 10.180 1.00 0.00 C ATOM 508 OG1 THR A 35 -6.804 2.535 10.959 1.00 0.00 O ATOM 509 CG2 THR A 35 -7.323 0.218 11.045 1.00 0.00 C ATOM 0 H THR A 35 -5.187 3.061 9.062 1.00 0.00 H new ATOM 0 HA THR A 35 -4.807 0.503 10.352 1.00 0.00 H new ATOM 0 HB THR A 35 -7.421 1.481 9.304 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.703 3.315 10.374 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.311 0.483 11.421 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.394 -0.691 10.448 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.648 0.049 11.884 1.00 0.00 H new ATOM 517 N ILE A 36 -5.232 -1.002 8.323 1.00 0.00 N ATOM 518 CA ILE A 36 -5.669 -1.988 7.324 1.00 0.00 C ATOM 519 C ILE A 36 -6.829 -2.780 7.954 1.00 0.00 C ATOM 520 O ILE A 36 -6.925 -2.890 9.177 1.00 0.00 O ATOM 521 CB ILE A 36 -4.454 -2.886 6.920 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.592 -2.241 5.814 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.815 -4.281 6.367 1.00 0.00 C ATOM 524 CD1 ILE A 36 -2.667 -1.090 6.213 1.00 0.00 C ATOM 0 H ILE A 36 -4.606 -1.392 9.028 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.024 -1.525 6.404 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.928 -2.989 7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.979 -3.024 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.263 -1.878 5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.902 -4.821 6.118 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.372 -4.838 7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.427 -4.170 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.125 -0.738 5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.259 -0.273 6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.956 -1.438 6.963 1.00 0.00 H new ATOM 536 N HIS A 37 -7.705 -3.367 7.140 1.00 0.00 N ATOM 537 CA HIS A 37 -8.904 -4.130 7.550 1.00 0.00 C ATOM 538 C HIS A 37 -8.627 -5.475 8.296 1.00 0.00 C ATOM 539 O HIS A 37 -9.517 -6.294 8.519 1.00 0.00 O ATOM 540 CB HIS A 37 -9.756 -4.220 6.270 1.00 0.00 C ATOM 541 CG HIS A 37 -10.948 -5.132 6.228 1.00 0.00 C ATOM 542 ND1 HIS A 37 -11.343 -5.883 5.145 1.00 0.00 N ATOM 543 CD2 HIS A 37 -11.941 -5.220 7.169 1.00 0.00 C ATOM 544 CE1 HIS A 37 -12.535 -6.416 5.436 1.00 0.00 C ATOM 545 NE2 HIS A 37 -12.945 -6.057 6.666 1.00 0.00 N ATOM 0 H HIS A 37 -7.601 -3.327 6.126 1.00 0.00 H new ATOM 0 HA HIS A 37 -9.451 -3.622 8.344 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.109 -3.214 6.043 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.092 -4.516 5.458 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -10.822 -6.010 4.278 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.948 -4.729 8.131 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.096 -7.053 4.769 1.00 0.00 H new ATOM 553 N ASP A 38 -7.387 -5.674 8.746 1.00 0.00 N ATOM 554 CA ASP A 38 -6.920 -6.682 9.716 1.00 0.00 C ATOM 555 C ASP A 38 -5.476 -6.354 10.139 1.00 0.00 C ATOM 556 O ASP A 38 -5.172 -6.169 11.319 1.00 0.00 O ATOM 557 CB ASP A 38 -6.945 -8.087 9.089 1.00 0.00 C ATOM 558 CG ASP A 38 -6.086 -9.086 9.887 1.00 0.00 C ATOM 559 OD1 ASP A 38 -6.568 -9.626 10.910 1.00 0.00 O ATOM 560 OD2 ASP A 38 -4.920 -9.307 9.476 1.00 0.00 O ATOM 0 H ASP A 38 -6.617 -5.091 8.419 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.582 -6.664 10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.973 -8.447 9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.581 -8.033 8.063 1.00 0.00 H new ATOM 565 N GLY A 39 -4.601 -6.279 9.134 1.00 0.00 N ATOM 566 CA GLY A 39 -3.161 -6.056 9.239 1.00 0.00 C ATOM 567 C GLY A 39 -2.399 -6.760 8.121 1.00 0.00 C ATOM 568 O GLY A 39 -1.600 -6.134 7.432 1.00 0.00 O ATOM 0 H GLY A 39 -4.900 -6.379 8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.955 -4.986 9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.806 -6.417 10.205 1.00 0.00 H new ATOM 572 N ALA A 40 -2.733 -8.027 7.876 1.00 0.00 N ATOM 573 CA ALA A 40 -2.205 -8.857 6.785 1.00 0.00 C ATOM 574 C ALA A 40 -3.330 -9.595 6.044 1.00 0.00 C ATOM 575 O ALA A 40 -3.215 -9.854 4.847 1.00 0.00 O ATOM 576 CB ALA A 40 -1.242 -9.882 7.406 1.00 0.00 C ATOM 0 H ALA A 40 -3.407 -8.527 8.455 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.697 -8.221 6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.831 -10.517 6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.431 -9.359 7.912 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.781 -10.498 8.126 1.00 0.00 H new ATOM 582 N ALA A 41 -4.468 -9.838 6.702 1.00 0.00 N ATOM 583 CA ALA A 41 -5.668 -10.402 6.066 1.00 0.00 C ATOM 584 C ALA A 41 -6.467 -9.332 5.280 1.00 0.00 C ATOM 585 O ALA A 41 -7.676 -9.460 5.073 1.00 0.00 O ATOM 586 CB ALA A 41 -6.506 -11.144 7.116 1.00 0.00 C ATOM 0 H ALA A 41 -4.586 -9.648 7.697 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.365 -11.131 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.395 -11.561 6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.914 -11.949 7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.805 -10.449 7.901 1.00 0.00 H new ATOM 592 N GLY A 42 -5.784 -8.262 4.857 1.00 0.00 N ATOM 593 CA GLY A 42 -6.297 -7.178 4.032 1.00 0.00 C ATOM 594 C GLY A 42 -5.193 -6.669 3.115 1.00 0.00 C ATOM 595 O GLY A 42 -5.273 -5.559 2.612 1.00 0.00 O ATOM 0 H GLY A 42 -4.802 -8.128 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.143 -7.527 3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.662 -6.368 4.663 1.00 0.00 H new ATOM 599 N VAL A 43 -4.133 -7.447 2.894 1.00 0.00 N ATOM 600 CA VAL A 43 -3.035 -7.136 2.020 1.00 0.00 C ATOM 601 C VAL A 43 -2.793 -8.293 1.058 1.00 0.00 C ATOM 602 O VAL A 43 -3.068 -9.456 1.370 1.00 0.00 O ATOM 603 CB VAL A 43 -1.803 -6.831 2.862 1.00 0.00 C ATOM 604 CG1 VAL A 43 -1.971 -5.869 4.039 1.00 0.00 C ATOM 605 CG2 VAL A 43 -0.870 -7.954 3.173 1.00 0.00 C ATOM 0 H VAL A 43 -4.025 -8.353 3.349 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.266 -6.256 1.419 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.278 -6.253 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.015 -5.745 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.315 -4.902 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.703 -6.273 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.043 -7.583 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.404 -8.729 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.481 -8.372 2.244 1.00 0.00 H new ATOM 615 N HIS A 44 -2.249 -7.971 -0.108 1.00 0.00 N ATOM 616 CA HIS A 44 -2.083 -8.910 -1.201 1.00 0.00 C ATOM 617 C HIS A 44 -0.909 -8.477 -2.060 1.00 0.00 C ATOM 618 O HIS A 44 -0.771 -7.300 -2.385 1.00 0.00 O ATOM 619 CB HIS A 44 -3.347 -8.932 -2.078 1.00 0.00 C ATOM 620 CG HIS A 44 -4.641 -8.623 -1.372 1.00 0.00 C ATOM 621 ND1 HIS A 44 -5.087 -7.353 -1.112 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.549 -9.496 -0.835 1.00 0.00 C ATOM 623 CE1 HIS A 44 -6.230 -7.445 -0.426 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.558 -8.735 -0.226 1.00 0.00 N ATOM 0 H HIS A 44 -1.906 -7.034 -0.321 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.907 -9.903 -0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.217 -8.214 -2.888 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.431 -9.918 -2.536 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.626 -6.488 -1.393 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.498 -10.574 -0.873 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.810 -6.602 -0.080 1.00 0.00 H new ATOM 632 N PHE A 45 -0.089 -9.433 -2.474 1.00 0.00 N ATOM 633 CA PHE A 45 1.148 -9.172 -3.195 1.00 0.00 C ATOM 634 C PHE A 45 1.088 -9.853 -4.559 1.00 0.00 C ATOM 635 O PHE A 45 0.606 -10.984 -4.673 1.00 0.00 O ATOM 636 CB PHE A 45 2.314 -9.615 -2.303 1.00 0.00 C ATOM 637 CG PHE A 45 2.629 -8.560 -1.258 1.00 0.00 C ATOM 638 CD1 PHE A 45 1.924 -8.460 -0.031 1.00 0.00 C ATOM 639 CD2 PHE A 45 3.573 -7.573 -1.597 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.153 -7.368 0.814 1.00 0.00 C ATOM 641 CE2 PHE A 45 3.803 -6.490 -0.740 1.00 0.00 C ATOM 642 CZ PHE A 45 3.096 -6.392 0.467 1.00 0.00 C ATOM 0 H PHE A 45 -0.267 -10.425 -2.316 1.00 0.00 H new ATOM 0 HA PHE A 45 1.297 -8.113 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.064 -10.556 -1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.196 -9.800 -2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.214 -9.223 0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.123 -7.651 -2.523 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.600 -7.277 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.524 -5.732 -1.008 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.279 -5.561 1.132 1.00 0.00 H new ATOM 652 N ILE A 46 1.519 -9.142 -5.605 1.00 0.00 N ATOM 653 CA ILE A 46 1.399 -9.602 -6.992 1.00 0.00 C ATOM 654 C ILE A 46 2.723 -10.190 -7.439 1.00 0.00 C ATOM 655 O ILE A 46 3.827 -9.759 -7.087 1.00 0.00 O ATOM 656 CB ILE A 46 0.913 -8.482 -7.948 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.310 -7.705 -7.370 1.00 0.00 C ATOM 658 CG2 ILE A 46 0.682 -9.052 -9.375 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.516 -7.568 -8.303 1.00 0.00 C ATOM 0 H ILE A 46 1.963 -8.228 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 46 0.633 -10.376 -7.033 1.00 0.00 H new ATOM 0 HB ILE A 46 1.699 -7.732 -8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.636 -8.205 -6.458 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.020 -6.706 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.341 -8.254 -10.035 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.615 -9.465 -9.757 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.073 -9.837 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.305 -7.011 -7.798 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.218 -7.036 -9.207 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.884 -8.559 -8.569 1.00 0.00 H new ATOM 671 N TYR A 47 2.549 -11.227 -8.235 1.00 0.00 N ATOM 672 CA TYR A 47 3.502 -12.266 -8.489 1.00 0.00 C ATOM 673 C TYR A 47 3.495 -12.520 -9.994 1.00 0.00 C ATOM 674 O TYR A 47 2.454 -12.814 -10.592 1.00 0.00 O ATOM 675 CB TYR A 47 3.076 -13.469 -7.643 1.00 0.00 C ATOM 676 CG TYR A 47 3.872 -13.611 -6.360 1.00 0.00 C ATOM 677 CD1 TYR A 47 5.092 -14.313 -6.345 1.00 0.00 C ATOM 678 CD2 TYR A 47 3.395 -13.008 -5.183 1.00 0.00 C ATOM 679 CE1 TYR A 47 5.829 -14.419 -5.147 1.00 0.00 C ATOM 680 CE2 TYR A 47 4.119 -13.117 -3.982 1.00 0.00 C ATOM 681 CZ TYR A 47 5.340 -13.828 -3.960 1.00 0.00 C ATOM 682 OH TYR A 47 6.054 -13.936 -2.805 1.00 0.00 O ATOM 0 H TYR A 47 1.679 -11.366 -8.750 1.00 0.00 H new ATOM 0 HA TYR A 47 4.527 -12.021 -8.212 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.018 -13.376 -7.398 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.187 -14.378 -8.234 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.464 -14.770 -7.250 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.466 -12.457 -5.201 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.768 -14.952 -5.137 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.743 -12.659 -3.079 1.00 0.00 H new ATOM 0 HH TYR A 47 5.580 -13.474 -2.083 1.00 0.00 H new ATOM 692 N THR A 48 4.652 -12.297 -10.609 1.00 0.00 N ATOM 693 CA THR A 48 4.860 -12.358 -12.055 1.00 0.00 C ATOM 694 C THR A 48 4.587 -13.777 -12.601 1.00 0.00 C ATOM 695 O THR A 48 4.554 -14.752 -11.840 1.00 0.00 O ATOM 696 CB THR A 48 6.298 -11.915 -12.401 1.00 0.00 C ATOM 697 OG1 THR A 48 7.240 -12.733 -11.754 1.00 0.00 O ATOM 698 CG2 THR A 48 6.616 -10.484 -11.966 1.00 0.00 C ATOM 0 H THR A 48 5.502 -12.060 -10.098 1.00 0.00 H new ATOM 0 HA THR A 48 4.153 -11.677 -12.530 1.00 0.00 H new ATOM 0 HB THR A 48 6.358 -11.990 -13.487 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.806 -13.172 -12.423 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.642 -10.240 -12.241 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.934 -9.793 -12.461 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.499 -10.398 -10.886 1.00 0.00 H new ATOM 706 N ARG A 49 4.375 -13.920 -13.919 1.00 0.00 N ATOM 707 CA ARG A 49 3.800 -15.135 -14.552 1.00 0.00 C ATOM 708 C ARG A 49 4.599 -16.443 -14.397 1.00 0.00 C ATOM 709 O ARG A 49 4.050 -17.514 -14.653 1.00 0.00 O ATOM 710 CB ARG A 49 3.509 -14.871 -16.045 1.00 0.00 C ATOM 711 CG ARG A 49 2.588 -13.670 -16.342 1.00 0.00 C ATOM 712 CD ARG A 49 1.290 -13.613 -15.522 1.00 0.00 C ATOM 713 NE ARG A 49 0.495 -14.855 -15.630 1.00 0.00 N ATOM 714 CZ ARG A 49 -0.821 -14.966 -15.670 1.00 0.00 C ATOM 715 NH1 ARG A 49 -1.612 -13.936 -15.729 1.00 0.00 N ATOM 716 NH2 ARG A 49 -1.374 -16.142 -15.640 1.00 0.00 N ATOM 0 H ARG A 49 4.599 -13.187 -14.592 1.00 0.00 H new ATOM 0 HA ARG A 49 2.884 -15.314 -13.989 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.457 -14.715 -16.559 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.058 -15.766 -16.473 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.149 -12.752 -16.166 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.328 -13.687 -17.400 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.533 -13.432 -14.475 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.688 -12.770 -15.860 1.00 0.00 H new ATOM 0 HE ARG A 49 1.023 -15.726 -15.679 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.222 -12.994 -15.746 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.623 -14.070 -15.758 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.792 -16.978 -15.586 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.390 -16.229 -15.671 1.00 0.00 H new ATOM 730 N GLU A 50 5.854 -16.381 -13.956 1.00 0.00 N ATOM 731 CA GLU A 50 6.752 -17.529 -13.716 1.00 0.00 C ATOM 732 C GLU A 50 7.101 -17.745 -12.223 1.00 0.00 C ATOM 733 O GLU A 50 7.747 -18.737 -11.875 1.00 0.00 O ATOM 734 CB GLU A 50 8.004 -17.509 -14.621 1.00 0.00 C ATOM 735 CG GLU A 50 8.411 -16.138 -15.150 1.00 0.00 C ATOM 736 CD GLU A 50 8.707 -15.147 -14.016 1.00 0.00 C ATOM 737 OE1 GLU A 50 9.819 -15.190 -13.441 1.00 0.00 O ATOM 738 OE2 GLU A 50 7.806 -14.345 -13.685 1.00 0.00 O ATOM 0 H GLU A 50 6.302 -15.490 -13.743 1.00 0.00 H new ATOM 0 HA GLU A 50 6.175 -18.407 -14.007 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.841 -17.926 -14.062 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.827 -18.169 -15.470 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.294 -16.241 -15.781 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.614 -15.741 -15.779 1.00 0.00 H new ATOM 745 N GLY A 51 6.630 -16.867 -11.324 1.00 0.00 N ATOM 746 CA GLY A 51 6.556 -17.126 -9.879 1.00 0.00 C ATOM 747 C GLY A 51 7.574 -16.392 -9.007 1.00 0.00 C ATOM 748 O GLY A 51 8.290 -17.010 -8.214 1.00 0.00 O ATOM 0 H GLY A 51 6.285 -15.943 -11.585 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.556 -16.861 -9.535 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.676 -18.197 -9.717 1.00 0.00 H new ATOM 752 N ARG A 52 7.618 -15.065 -9.148 1.00 0.00 N ATOM 753 CA ARG A 52 8.499 -14.117 -8.441 1.00 0.00 C ATOM 754 C ARG A 52 7.739 -12.824 -8.128 1.00 0.00 C ATOM 755 O ARG A 52 6.721 -12.552 -8.757 1.00 0.00 O ATOM 756 CB ARG A 52 9.693 -13.839 -9.369 1.00 0.00 C ATOM 757 CG ARG A 52 10.837 -14.843 -9.169 1.00 0.00 C ATOM 758 CD ARG A 52 12.059 -14.496 -10.030 1.00 0.00 C ATOM 759 NE ARG A 52 11.904 -14.917 -11.438 1.00 0.00 N ATOM 760 CZ ARG A 52 12.848 -15.345 -12.255 1.00 0.00 C ATOM 761 NH1 ARG A 52 14.099 -15.467 -11.907 1.00 0.00 N ATOM 762 NH2 ARG A 52 12.521 -15.663 -13.470 1.00 0.00 N ATOM 0 H ARG A 52 6.999 -14.586 -9.802 1.00 0.00 H new ATOM 0 HA ARG A 52 8.841 -14.529 -7.492 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.359 -13.875 -10.406 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.063 -12.830 -9.188 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.126 -14.860 -8.118 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.489 -15.845 -9.420 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.230 -13.420 -9.994 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.943 -14.974 -9.608 1.00 0.00 H new ATOM 0 HE ARG A 52 10.960 -14.872 -11.822 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.391 -15.226 -10.960 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.786 -15.803 -12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.551 -15.580 -13.776 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.234 -15.996 -14.119 1.00 0.00 H new ATOM 776 N GLN A 53 8.185 -12.021 -7.159 1.00 0.00 N ATOM 777 CA GLN A 53 7.520 -10.736 -6.884 1.00 0.00 C ATOM 778 C GLN A 53 7.761 -9.695 -7.992 1.00 0.00 C ATOM 779 O GLN A 53 8.775 -9.720 -8.695 1.00 0.00 O ATOM 780 CB GLN A 53 7.899 -10.177 -5.503 1.00 0.00 C ATOM 781 CG GLN A 53 7.119 -10.908 -4.400 1.00 0.00 C ATOM 782 CD GLN A 53 7.130 -10.160 -3.068 1.00 0.00 C ATOM 783 OE1 GLN A 53 6.787 -8.989 -2.977 1.00 0.00 O ATOM 784 NE2 GLN A 53 7.499 -10.801 -1.981 1.00 0.00 N ATOM 0 H GLN A 53 8.985 -12.227 -6.561 1.00 0.00 H new ATOM 0 HA GLN A 53 6.450 -10.946 -6.874 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.970 -10.292 -5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.684 -9.109 -5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.088 -11.048 -4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.546 -11.901 -4.257 1.00 0.00 H new ATOM 0 HE21 GLN A 53 7.788 -11.778 -2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.496 -10.322 -1.081 1.00 0.00 H new ATOM 793 N SER A 54 6.821 -8.754 -8.116 1.00 0.00 N ATOM 794 CA SER A 54 6.728 -7.789 -9.230 1.00 0.00 C ATOM 795 C SER A 54 7.033 -6.328 -8.844 1.00 0.00 C ATOM 796 O SER A 54 7.038 -5.445 -9.705 1.00 0.00 O ATOM 797 CB SER A 54 5.315 -7.874 -9.831 1.00 0.00 C ATOM 798 OG SER A 54 4.348 -7.478 -8.871 1.00 0.00 O ATOM 0 H SER A 54 6.079 -8.634 -7.427 1.00 0.00 H new ATOM 0 HA SER A 54 7.498 -8.069 -9.949 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.247 -7.234 -10.711 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.113 -8.893 -10.162 1.00 0.00 H new ATOM 0 HG SER A 54 4.184 -8.217 -8.248 1.00 0.00 H new ATOM 804 N GLY A 55 7.253 -6.050 -7.551 1.00 0.00 N ATOM 805 CA GLY A 55 7.139 -4.706 -6.960 1.00 0.00 C ATOM 806 C GLY A 55 5.756 -4.076 -7.141 1.00 0.00 C ATOM 807 O GLY A 55 5.644 -2.854 -7.138 1.00 0.00 O ATOM 0 H GLY A 55 7.520 -6.764 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.366 -4.765 -5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.888 -4.055 -7.410 1.00 0.00 H new ATOM 811 N GLU A 56 4.701 -4.881 -7.290 1.00 0.00 N ATOM 812 CA GLU A 56 3.312 -4.464 -7.215 1.00 0.00 C ATOM 813 C GLU A 56 2.512 -5.324 -6.226 1.00 0.00 C ATOM 814 O GLU A 56 2.803 -6.500 -5.988 1.00 0.00 O ATOM 815 CB GLU A 56 2.672 -4.475 -8.616 1.00 0.00 C ATOM 816 CG GLU A 56 1.727 -3.284 -8.692 1.00 0.00 C ATOM 817 CD GLU A 56 0.986 -3.146 -10.030 1.00 0.00 C ATOM 818 OE1 GLU A 56 1.454 -2.414 -10.934 1.00 0.00 O ATOM 819 OE2 GLU A 56 -0.155 -3.650 -10.143 1.00 0.00 O ATOM 0 H GLU A 56 4.803 -5.879 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 56 3.288 -3.442 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.438 -4.408 -9.389 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.131 -5.406 -8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.993 -3.367 -7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.296 -2.372 -8.510 1.00 0.00 H new ATOM 826 N ALA A 57 1.503 -4.702 -5.626 1.00 0.00 N ATOM 827 CA ALA A 57 0.675 -5.225 -4.552 1.00 0.00 C ATOM 828 C ALA A 57 -0.592 -4.361 -4.395 1.00 0.00 C ATOM 829 O ALA A 57 -0.728 -3.316 -5.033 1.00 0.00 O ATOM 830 CB ALA A 57 1.524 -5.202 -3.282 1.00 0.00 C ATOM 0 H ALA A 57 1.226 -3.758 -5.896 1.00 0.00 H new ATOM 0 HA ALA A 57 0.345 -6.242 -4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.940 -5.588 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.408 -5.823 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.831 -4.178 -3.068 1.00 0.00 H new ATOM 836 N PHE A 58 -1.521 -4.784 -3.545 1.00 0.00 N ATOM 837 CA PHE A 58 -2.807 -4.131 -3.274 1.00 0.00 C ATOM 838 C PHE A 58 -3.170 -4.402 -1.803 1.00 0.00 C ATOM 839 O PHE A 58 -2.913 -5.486 -1.282 1.00 0.00 O ATOM 840 CB PHE A 58 -3.887 -4.737 -4.183 1.00 0.00 C ATOM 841 CG PHE A 58 -3.837 -4.259 -5.627 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.869 -4.800 -6.489 1.00 0.00 C ATOM 843 CD2 PHE A 58 -4.708 -3.265 -6.117 1.00 0.00 C ATOM 844 CE1 PHE A 58 -2.712 -4.311 -7.794 1.00 0.00 C ATOM 845 CE2 PHE A 58 -4.633 -2.863 -7.463 1.00 0.00 C ATOM 846 CZ PHE A 58 -3.607 -3.351 -8.291 1.00 0.00 C ATOM 0 H PHE A 58 -1.396 -5.634 -2.996 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.741 -3.060 -3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.789 -5.822 -4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.867 -4.501 -3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.237 -5.604 -6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.434 -2.811 -5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.905 -4.672 -8.414 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.366 -2.177 -7.862 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.508 -2.989 -9.304 1.00 0.00 H new ATOM 856 N VAL A 59 -3.814 -3.466 -1.118 1.00 0.00 N ATOM 857 CA VAL A 59 -4.078 -3.500 0.329 1.00 0.00 C ATOM 858 C VAL A 59 -5.483 -2.948 0.578 1.00 0.00 C ATOM 859 O VAL A 59 -5.697 -1.752 0.422 1.00 0.00 O ATOM 860 CB VAL A 59 -3.020 -2.653 1.069 1.00 0.00 C ATOM 861 CG1 VAL A 59 -3.407 -2.361 2.520 1.00 0.00 C ATOM 862 CG2 VAL A 59 -1.679 -3.393 1.116 1.00 0.00 C ATOM 0 H VAL A 59 -4.184 -2.627 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.019 -4.522 0.703 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.950 -1.718 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.627 -1.763 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.349 -1.812 2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.521 -3.300 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.945 -2.782 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.804 -4.340 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.333 -3.584 0.100 1.00 0.00 H new ATOM 872 N GLU A 60 -6.441 -3.789 0.967 1.00 0.00 N ATOM 873 CA GLU A 60 -7.652 -3.367 1.685 1.00 0.00 C ATOM 874 C GLU A 60 -7.282 -2.634 2.987 1.00 0.00 C ATOM 875 O GLU A 60 -7.098 -3.252 4.041 1.00 0.00 O ATOM 876 CB GLU A 60 -8.538 -4.575 2.042 1.00 0.00 C ATOM 877 CG GLU A 60 -9.282 -5.242 0.882 1.00 0.00 C ATOM 878 CD GLU A 60 -9.997 -6.530 1.354 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.552 -6.536 2.480 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.007 -7.535 0.601 1.00 0.00 O ATOM 0 H GLU A 60 -6.401 -4.793 0.793 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.202 -2.698 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.912 -5.327 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.274 -4.253 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.012 -4.548 0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.579 -5.483 0.084 1.00 0.00 H new ATOM 887 N LEU A 61 -7.202 -1.303 2.947 1.00 0.00 N ATOM 888 CA LEU A 61 -7.223 -0.507 4.171 1.00 0.00 C ATOM 889 C LEU A 61 -8.521 -0.741 4.967 1.00 0.00 C ATOM 890 O LEU A 61 -9.458 -1.400 4.506 1.00 0.00 O ATOM 891 CB LEU A 61 -6.931 0.986 3.934 1.00 0.00 C ATOM 892 CG LEU A 61 -5.476 1.246 3.552 1.00 0.00 C ATOM 893 CD1 LEU A 61 -5.194 2.428 2.683 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.495 1.274 4.709 1.00 0.00 C ATOM 0 H LEU A 61 -7.123 -0.759 2.088 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.396 -0.860 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.582 1.359 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.172 1.547 4.837 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.312 0.353 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.123 2.492 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.726 2.320 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.527 3.336 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.491 1.465 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.777 2.064 5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.512 0.313 5.223 1.00 0.00 H new ATOM 906 N GLY A 62 -8.572 -0.201 6.179 1.00 0.00 N ATOM 907 CA GLY A 62 -9.661 -0.425 7.124 1.00 0.00 C ATOM 908 C GLY A 62 -10.686 0.722 7.218 1.00 0.00 C ATOM 909 O GLY A 62 -11.717 0.559 7.874 1.00 0.00 O ATOM 0 H GLY A 62 -7.845 0.416 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.185 -1.338 6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.235 -0.594 8.113 1.00 0.00 H new ATOM 913 N SER A 63 -10.475 1.821 6.481 1.00 0.00 N ATOM 914 CA SER A 63 -11.487 2.829 6.108 1.00 0.00 C ATOM 915 C SER A 63 -11.021 3.647 4.889 1.00 0.00 C ATOM 916 O SER A 63 -9.857 3.566 4.504 1.00 0.00 O ATOM 917 CB SER A 63 -11.788 3.755 7.293 1.00 0.00 C ATOM 918 OG SER A 63 -10.758 4.702 7.494 1.00 0.00 O ATOM 0 H SER A 63 -9.552 2.045 6.109 1.00 0.00 H new ATOM 0 HA SER A 63 -12.404 2.306 5.837 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.730 4.274 7.118 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.915 3.159 8.197 1.00 0.00 H new ATOM 0 HG SER A 63 -9.943 4.242 7.785 1.00 0.00 H new ATOM 924 N GLU A 64 -11.870 4.471 4.267 1.00 0.00 N ATOM 925 CA GLU A 64 -11.425 5.372 3.182 1.00 0.00 C ATOM 926 C GLU A 64 -10.664 6.607 3.704 1.00 0.00 C ATOM 927 O GLU A 64 -10.011 7.305 2.931 1.00 0.00 O ATOM 928 CB GLU A 64 -12.608 5.790 2.306 1.00 0.00 C ATOM 929 CG GLU A 64 -12.177 6.106 0.857 1.00 0.00 C ATOM 930 CD GLU A 64 -12.255 7.610 0.520 1.00 0.00 C ATOM 931 OE1 GLU A 64 -13.193 8.306 0.976 1.00 0.00 O ATOM 932 OE2 GLU A 64 -11.380 8.107 -0.224 1.00 0.00 O ATOM 0 H GLU A 64 -12.863 4.538 4.489 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.719 4.806 2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.351 4.992 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.088 6.667 2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.156 5.757 0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.811 5.551 0.166 1.00 0.00 H new ATOM 939 N ASP A 65 -10.702 6.914 5.002 1.00 0.00 N ATOM 940 CA ASP A 65 -9.766 7.856 5.614 1.00 0.00 C ATOM 941 C ASP A 65 -8.384 7.208 5.804 1.00 0.00 C ATOM 942 O ASP A 65 -7.371 7.885 5.655 1.00 0.00 O ATOM 943 CB ASP A 65 -10.358 8.338 6.941 1.00 0.00 C ATOM 944 CG ASP A 65 -11.483 9.380 6.773 1.00 0.00 C ATOM 945 OD1 ASP A 65 -11.717 9.883 5.645 1.00 0.00 O ATOM 946 OD2 ASP A 65 -12.137 9.713 7.792 1.00 0.00 O ATOM 0 H ASP A 65 -11.379 6.519 5.655 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.619 8.715 4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.748 7.480 7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.563 8.769 7.549 1.00 0.00 H new ATOM 951 N ASP A 66 -8.315 5.889 6.013 1.00 0.00 N ATOM 952 CA ASP A 66 -7.089 5.112 5.801 1.00 0.00 C ATOM 953 C ASP A 66 -6.605 5.217 4.358 1.00 0.00 C ATOM 954 O ASP A 66 -5.440 5.565 4.160 1.00 0.00 O ATOM 955 CB ASP A 66 -7.213 3.702 6.364 1.00 0.00 C ATOM 956 CG ASP A 66 -7.467 3.767 7.873 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.534 4.136 8.624 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.602 3.467 8.308 1.00 0.00 O ATOM 0 H ASP A 66 -9.106 5.331 6.333 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.280 5.553 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.029 3.174 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.302 3.139 6.163 1.00 0.00 H new ATOM 963 N VAL A 67 -7.464 5.052 3.342 1.00 0.00 N ATOM 964 CA VAL A 67 -7.023 5.193 1.948 1.00 0.00 C ATOM 965 C VAL A 67 -6.355 6.538 1.695 1.00 0.00 C ATOM 966 O VAL A 67 -5.221 6.583 1.233 1.00 0.00 O ATOM 967 CB VAL A 67 -8.122 4.908 0.916 1.00 0.00 C ATOM 968 CG1 VAL A 67 -8.883 3.626 1.194 1.00 0.00 C ATOM 969 CG2 VAL A 67 -8.758 6.042 0.108 1.00 0.00 C ATOM 0 H VAL A 67 -8.452 4.825 3.456 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.274 4.414 1.805 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.565 4.683 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.646 3.482 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.192 2.783 1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.359 3.690 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.511 5.632 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.227 6.754 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.989 6.549 -0.475 1.00 0.00 H new ATOM 979 N LYS A 68 -7.021 7.622 2.096 1.00 0.00 N ATOM 980 CA LYS A 68 -6.525 8.998 2.127 1.00 0.00 C ATOM 981 C LYS A 68 -5.193 9.164 2.865 1.00 0.00 C ATOM 982 O LYS A 68 -4.278 9.780 2.319 1.00 0.00 O ATOM 983 CB LYS A 68 -7.618 9.848 2.781 1.00 0.00 C ATOM 984 CG LYS A 68 -8.731 10.242 1.806 1.00 0.00 C ATOM 985 CD LYS A 68 -9.727 11.191 2.493 1.00 0.00 C ATOM 986 CE LYS A 68 -11.171 10.869 2.103 1.00 0.00 C ATOM 987 NZ LYS A 68 -11.662 9.683 2.841 1.00 0.00 N ATOM 0 H LYS A 68 -7.983 7.558 2.429 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.314 9.317 1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.051 9.295 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.169 10.751 3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.302 10.726 0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.250 9.350 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.616 11.115 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.497 12.221 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.810 11.726 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.231 10.686 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.539 9.339 2.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.942 8.933 2.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.850 9.943 3.830 1.00 0.00 H new ATOM 1001 N MET A 69 -5.042 8.598 4.065 1.00 0.00 N ATOM 1002 CA MET A 69 -3.776 8.613 4.817 1.00 0.00 C ATOM 1003 C MET A 69 -2.622 7.927 4.086 1.00 0.00 C ATOM 1004 O MET A 69 -1.473 8.370 4.162 1.00 0.00 O ATOM 1005 CB MET A 69 -3.967 7.990 6.203 1.00 0.00 C ATOM 1006 CG MET A 69 -4.634 9.013 7.111 1.00 0.00 C ATOM 1007 SD MET A 69 -4.476 8.705 8.889 1.00 0.00 S ATOM 1008 CE MET A 69 -5.268 7.077 8.962 1.00 0.00 C ATOM 0 H MET A 69 -5.797 8.112 4.549 1.00 0.00 H new ATOM 0 HA MET A 69 -3.498 9.662 4.919 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.580 7.091 6.132 1.00 0.00 H new ATOM 0 HB3 MET A 69 -3.005 7.688 6.617 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.214 9.995 6.892 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.694 9.057 6.861 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.395 6.780 10.003 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.243 7.125 8.477 1.00 0.00 H new ATOM 0 HE3 MET A 69 -4.643 6.345 8.450 1.00 0.00 H new ATOM 1018 N ALA A 70 -2.951 6.882 3.343 1.00 0.00 N ATOM 1019 CA ALA A 70 -2.047 6.194 2.422 1.00 0.00 C ATOM 1020 C ALA A 70 -1.775 6.978 1.118 1.00 0.00 C ATOM 1021 O ALA A 70 -0.634 7.008 0.659 1.00 0.00 O ATOM 1022 CB ALA A 70 -2.579 4.773 2.181 1.00 0.00 C ATOM 0 H ALA A 70 -3.885 6.472 3.362 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.062 6.128 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.915 4.247 1.495 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.623 4.235 3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.578 4.827 1.748 1.00 0.00 H new ATOM 1028 N LEU A 71 -2.760 7.700 0.566 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.581 8.641 -0.548 1.00 0.00 C ATOM 1030 C LEU A 71 -1.630 9.798 -0.213 1.00 0.00 C ATOM 1031 O LEU A 71 -0.939 10.275 -1.113 1.00 0.00 O ATOM 1032 CB LEU A 71 -3.909 9.251 -1.027 1.00 0.00 C ATOM 1033 CG LEU A 71 -5.018 8.312 -1.539 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -6.008 9.128 -2.363 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.549 7.116 -2.368 1.00 0.00 C ATOM 0 H LEU A 71 -3.726 7.644 0.889 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.145 8.033 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.323 9.830 -0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.679 9.956 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.468 7.880 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.799 8.475 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.443 9.909 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.490 9.584 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.412 6.525 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.020 7.471 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.880 6.498 -1.769 1.00 0.00 H new ATOM 1047 N LYS A 72 -1.512 10.226 1.058 1.00 0.00 N ATOM 1048 CA LYS A 72 -0.436 11.149 1.472 1.00 0.00 C ATOM 1049 C LYS A 72 0.955 10.667 1.041 1.00 0.00 C ATOM 1050 O LYS A 72 1.841 11.480 0.774 1.00 0.00 O ATOM 1051 CB LYS A 72 -0.378 11.310 2.996 1.00 0.00 C ATOM 1052 CG LYS A 72 -1.701 11.687 3.660 1.00 0.00 C ATOM 1053 CD LYS A 72 -1.553 12.053 5.146 1.00 0.00 C ATOM 1054 CE LYS A 72 -1.243 10.964 6.201 1.00 0.00 C ATOM 1055 NZ LYS A 72 -0.012 10.175 5.940 1.00 0.00 N ATOM 0 H LYS A 72 -2.142 9.951 1.811 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.680 12.092 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.025 10.375 3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.362 12.073 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.140 12.531 3.127 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.397 10.854 3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.763 12.801 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.480 12.540 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.152 11.440 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.090 10.281 6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.334 9.766 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.226 9.410 5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.719 10.795 5.537 1.00 0.00 H new ATOM 1069 N LYS A 73 1.132 9.339 1.002 1.00 0.00 N ATOM 1070 CA LYS A 73 2.402 8.646 0.757 1.00 0.00 C ATOM 1071 C LYS A 73 2.556 8.163 -0.681 1.00 0.00 C ATOM 1072 O LYS A 73 3.479 7.402 -0.954 1.00 0.00 O ATOM 1073 CB LYS A 73 2.623 7.483 1.756 1.00 0.00 C ATOM 1074 CG LYS A 73 2.034 7.684 3.156 1.00 0.00 C ATOM 1075 CD LYS A 73 2.709 6.869 4.262 1.00 0.00 C ATOM 1076 CE LYS A 73 4.049 7.475 4.675 1.00 0.00 C ATOM 1077 NZ LYS A 73 4.522 6.888 5.949 1.00 0.00 N ATOM 0 H LYS A 73 0.358 8.691 1.147 1.00 0.00 H new ATOM 0 HA LYS A 73 3.180 9.391 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.194 6.576 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.695 7.313 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.098 8.741 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.975 7.426 3.129 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.051 6.818 5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.863 5.846 3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.788 7.301 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.947 8.555 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.425 7.327 6.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.817 7.061 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.656 5.864 5.830 1.00 0.00 H new ATOM 1091 N ASP A 74 1.692 8.596 -1.602 1.00 0.00 N ATOM 1092 CA ASP A 74 1.561 8.045 -2.958 1.00 0.00 C ATOM 1093 C ASP A 74 2.770 8.138 -3.902 1.00 0.00 C ATOM 1094 O ASP A 74 2.617 7.851 -5.088 1.00 0.00 O ATOM 1095 CB ASP A 74 0.329 8.623 -3.674 1.00 0.00 C ATOM 1096 CG ASP A 74 0.583 9.999 -4.325 1.00 0.00 C ATOM 1097 OD1 ASP A 74 1.081 10.931 -3.650 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.326 10.134 -5.546 1.00 0.00 O ATOM 0 H ASP A 74 1.044 9.363 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 74 1.463 6.979 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.003 7.922 -4.442 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.488 8.714 -2.958 1.00 0.00 H new ATOM 1103 N ARG A 75 3.930 8.572 -3.410 1.00 0.00 N ATOM 1104 CA ARG A 75 5.174 8.792 -4.136 1.00 0.00 C ATOM 1105 C ARG A 75 6.424 8.880 -3.252 1.00 0.00 C ATOM 1106 O ARG A 75 7.488 9.254 -3.744 1.00 0.00 O ATOM 1107 CB ARG A 75 4.969 10.069 -4.974 1.00 0.00 C ATOM 1108 CG ARG A 75 5.047 9.745 -6.462 1.00 0.00 C ATOM 1109 CD ARG A 75 4.137 10.672 -7.278 1.00 0.00 C ATOM 1110 NE ARG A 75 2.747 10.176 -7.290 1.00 0.00 N ATOM 1111 CZ ARG A 75 2.282 9.215 -8.065 1.00 0.00 C ATOM 1112 NH1 ARG A 75 2.958 8.751 -9.075 1.00 0.00 N ATOM 1113 NH2 ARG A 75 1.119 8.695 -7.823 1.00 0.00 N ATOM 0 H ARG A 75 4.029 8.795 -2.419 1.00 0.00 H new ATOM 0 HA ARG A 75 5.377 7.924 -4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.001 10.513 -4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.728 10.807 -4.716 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.076 9.846 -6.806 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.756 8.708 -6.627 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.164 11.677 -6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.509 10.745 -8.300 1.00 0.00 H new ATOM 0 HE ARG A 75 2.090 10.614 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.880 9.131 -9.289 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.566 8.007 -9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.565 9.029 -7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.758 7.952 -8.421 1.00 0.00 H new ATOM 1127 N GLU A 76 6.316 8.536 -1.966 1.00 0.00 N ATOM 1128 CA GLU A 76 7.484 8.340 -1.099 1.00 0.00 C ATOM 1129 C GLU A 76 7.981 6.877 -1.159 1.00 0.00 C ATOM 1130 O GLU A 76 7.799 6.212 -2.180 1.00 0.00 O ATOM 1131 CB GLU A 76 7.275 8.966 0.292 1.00 0.00 C ATOM 1132 CG GLU A 76 6.110 8.454 1.126 1.00 0.00 C ATOM 1133 CD GLU A 76 6.202 8.990 2.566 1.00 0.00 C ATOM 1134 OE1 GLU A 76 6.966 8.417 3.380 1.00 0.00 O ATOM 1135 OE2 GLU A 76 5.507 9.979 2.896 1.00 0.00 O ATOM 0 H GLU A 76 5.423 8.386 -1.497 1.00 0.00 H new ATOM 0 HA GLU A 76 8.334 8.906 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.190 8.820 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.148 10.041 0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.168 8.765 0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.114 7.364 1.136 1.00 0.00 H new ATOM 1142 N SER A 77 8.692 6.386 -0.142 1.00 0.00 N ATOM 1143 CA SER A 77 9.563 5.204 -0.236 1.00 0.00 C ATOM 1144 C SER A 77 9.606 4.329 1.026 1.00 0.00 C ATOM 1145 O SER A 77 9.434 4.806 2.149 1.00 0.00 O ATOM 1146 CB SER A 77 10.992 5.654 -0.583 1.00 0.00 C ATOM 1147 OG SER A 77 11.480 6.636 0.328 1.00 0.00 O ATOM 0 H SER A 77 8.681 6.804 0.789 1.00 0.00 H new ATOM 0 HA SER A 77 9.130 4.580 -1.018 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.656 4.790 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.009 6.059 -1.595 1.00 0.00 H new ATOM 0 HG SER A 77 12.391 6.894 0.074 1.00 0.00 H new ATOM 1153 N MET A 78 9.926 3.049 0.828 1.00 0.00 N ATOM 1154 CA MET A 78 10.286 2.061 1.857 1.00 0.00 C ATOM 1155 C MET A 78 11.292 1.065 1.255 1.00 0.00 C ATOM 1156 O MET A 78 11.302 0.863 0.042 1.00 0.00 O ATOM 1157 CB MET A 78 9.014 1.387 2.415 1.00 0.00 C ATOM 1158 CG MET A 78 9.309 0.321 3.473 1.00 0.00 C ATOM 1159 SD MET A 78 10.262 0.900 4.907 1.00 0.00 S ATOM 1160 CE MET A 78 10.602 -0.698 5.688 1.00 0.00 C ATOM 0 H MET A 78 9.943 2.646 -0.109 1.00 0.00 H new ATOM 0 HA MET A 78 10.769 2.542 2.707 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.367 2.150 2.848 1.00 0.00 H new ATOM 0 HB3 MET A 78 8.462 0.931 1.593 1.00 0.00 H new ATOM 0 HG2 MET A 78 8.363 -0.089 3.827 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.854 -0.496 3.001 1.00 0.00 H new ATOM 0 HE1 MET A 78 11.185 -0.543 6.596 1.00 0.00 H new ATOM 0 HE2 MET A 78 9.661 -1.187 5.941 1.00 0.00 H new ATOM 0 HE3 MET A 78 11.164 -1.328 4.999 1.00 0.00 H new ATOM 1170 N GLY A 79 12.178 0.472 2.063 1.00 0.00 N ATOM 1171 CA GLY A 79 13.204 -0.480 1.603 1.00 0.00 C ATOM 1172 C GLY A 79 14.120 0.044 0.480 1.00 0.00 C ATOM 1173 O GLY A 79 14.461 -0.704 -0.437 1.00 0.00 O ATOM 0 H GLY A 79 12.206 0.640 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.823 -0.763 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.708 -1.386 1.254 1.00 0.00 H new ATOM 1177 N HIS A 80 14.484 1.334 0.529 1.00 0.00 N ATOM 1178 CA HIS A 80 15.283 2.053 -0.487 1.00 0.00 C ATOM 1179 C HIS A 80 14.650 2.061 -1.907 1.00 0.00 C ATOM 1180 O HIS A 80 15.344 2.161 -2.923 1.00 0.00 O ATOM 1181 CB HIS A 80 16.742 1.550 -0.430 1.00 0.00 C ATOM 1182 CG HIS A 80 17.788 2.536 -0.906 1.00 0.00 C ATOM 1183 ND1 HIS A 80 17.849 3.139 -2.142 1.00 0.00 N ATOM 1184 CD2 HIS A 80 18.886 2.961 -0.205 1.00 0.00 C ATOM 1185 CE1 HIS A 80 18.944 3.914 -2.190 1.00 0.00 C ATOM 1186 NE2 HIS A 80 19.614 3.839 -1.024 1.00 0.00 N ATOM 0 H HIS A 80 14.220 1.935 1.310 1.00 0.00 H new ATOM 0 HA HIS A 80 15.286 3.114 -0.238 1.00 0.00 H new ATOM 0 HB2 HIS A 80 16.972 1.270 0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 80 16.820 0.645 -1.032 1.00 0.00 H new ATOM 0 HD1 HIS A 80 17.174 3.017 -2.897 1.00 0.00 H new ATOM 0 HD2 HIS A 80 19.146 2.671 0.802 1.00 0.00 H new ATOM 0 HE1 HIS A 80 19.244 4.510 -3.039 1.00 0.00 H new ATOM 1194 N ARG A 81 13.317 1.954 -1.991 1.00 0.00 N ATOM 1195 CA ARG A 81 12.518 1.814 -3.227 1.00 0.00 C ATOM 1196 C ARG A 81 11.223 2.612 -3.127 1.00 0.00 C ATOM 1197 O ARG A 81 10.738 2.906 -2.035 1.00 0.00 O ATOM 1198 CB ARG A 81 12.192 0.323 -3.407 1.00 0.00 C ATOM 1199 CG ARG A 81 13.299 -0.491 -4.090 1.00 0.00 C ATOM 1200 CD ARG A 81 13.236 -0.477 -5.621 1.00 0.00 C ATOM 1201 NE ARG A 81 12.202 -1.405 -6.122 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.367 -2.546 -6.768 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.535 -3.018 -7.085 1.00 0.00 N ATOM 1204 NH2 ARG A 81 11.335 -3.262 -7.092 1.00 0.00 N ATOM 0 H ARG A 81 12.731 1.963 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 81 13.083 2.196 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.989 -0.112 -2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.277 0.232 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.267 -0.103 -3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.241 -1.523 -3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.021 0.533 -5.969 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.207 -0.755 -6.030 1.00 0.00 H new ATOM 0 HE ARG A 81 11.236 -1.130 -5.947 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.379 -2.502 -6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.608 -3.904 -7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.397 -2.944 -6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.462 -4.143 -7.591 1.00 0.00 H new ATOM 1218 N TYR A 82 10.662 2.966 -4.276 1.00 0.00 N ATOM 1219 CA TYR A 82 9.471 3.814 -4.338 1.00 0.00 C ATOM 1220 C TYR A 82 8.180 3.044 -4.052 1.00 0.00 C ATOM 1221 O TYR A 82 8.001 1.876 -4.416 1.00 0.00 O ATOM 1222 CB TYR A 82 9.390 4.563 -5.677 1.00 0.00 C ATOM 1223 CG TYR A 82 10.248 5.815 -5.693 1.00 0.00 C ATOM 1224 CD1 TYR A 82 9.766 6.985 -5.075 1.00 0.00 C ATOM 1225 CD2 TYR A 82 11.527 5.810 -6.287 1.00 0.00 C ATOM 1226 CE1 TYR A 82 10.552 8.151 -5.048 1.00 0.00 C ATOM 1227 CE2 TYR A 82 12.317 6.978 -6.261 1.00 0.00 C ATOM 1228 CZ TYR A 82 11.833 8.151 -5.642 1.00 0.00 C ATOM 1229 OH TYR A 82 12.604 9.275 -5.619 1.00 0.00 O ATOM 0 H TYR A 82 11.015 2.677 -5.188 1.00 0.00 H new ATOM 0 HA TYR A 82 9.573 4.552 -3.542 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.706 3.899 -6.481 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.353 4.834 -5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.787 6.987 -4.619 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.901 4.914 -6.761 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.176 9.045 -4.573 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.296 6.975 -6.716 1.00 0.00 H new ATOM 0 HH TYR A 82 13.455 9.098 -6.072 1.00 0.00 H new ATOM 1239 N ILE A 83 7.248 3.750 -3.423 1.00 0.00 N ATOM 1240 CA ILE A 83 5.920 3.252 -3.103 1.00 0.00 C ATOM 1241 C ILE A 83 4.893 4.248 -3.652 1.00 0.00 C ATOM 1242 O ILE A 83 4.402 5.127 -2.941 1.00 0.00 O ATOM 1243 CB ILE A 83 5.786 2.998 -1.585 1.00 0.00 C ATOM 1244 CG1 ILE A 83 6.974 2.285 -0.898 1.00 0.00 C ATOM 1245 CG2 ILE A 83 4.475 2.245 -1.332 1.00 0.00 C ATOM 1246 CD1 ILE A 83 7.262 0.843 -1.324 1.00 0.00 C ATOM 0 H ILE A 83 7.401 4.710 -3.114 1.00 0.00 H new ATOM 0 HA ILE A 83 5.738 2.286 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 83 5.786 3.983 -1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.872 2.876 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.796 2.291 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.364 2.057 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.636 2.846 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.491 1.296 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 83 8.118 0.463 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.390 0.222 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.483 0.816 -2.391 1.00 0.00 H new ATOM 1258 N GLU A 84 4.574 4.144 -4.946 1.00 0.00 N ATOM 1259 CA GLU A 84 3.309 4.704 -5.425 1.00 0.00 C ATOM 1260 C GLU A 84 2.149 4.054 -4.651 1.00 0.00 C ATOM 1261 O GLU A 84 2.107 2.828 -4.519 1.00 0.00 O ATOM 1262 CB GLU A 84 3.087 4.496 -6.937 1.00 0.00 C ATOM 1263 CG GLU A 84 3.944 5.420 -7.809 1.00 0.00 C ATOM 1264 CD GLU A 84 3.533 5.366 -9.292 1.00 0.00 C ATOM 1265 OE1 GLU A 84 2.627 6.125 -9.707 1.00 0.00 O ATOM 1266 OE2 GLU A 84 4.111 4.572 -10.069 1.00 0.00 O ATOM 0 H GLU A 84 5.151 3.694 -5.657 1.00 0.00 H new ATOM 0 HA GLU A 84 3.348 5.780 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.310 3.460 -7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.035 4.662 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.856 6.444 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.992 5.137 -7.714 1.00 0.00 H new ATOM 1273 N VAL A 85 1.191 4.861 -4.189 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.057 4.372 -3.551 1.00 0.00 C ATOM 1275 C VAL A 85 -1.258 4.912 -4.304 1.00 0.00 C ATOM 1276 O VAL A 85 -1.593 6.092 -4.214 1.00 0.00 O ATOM 1277 CB VAL A 85 -0.224 4.676 -2.045 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -1.375 3.801 -1.515 1.00 0.00 C ATOM 1279 CG2 VAL A 85 1.030 4.364 -1.229 1.00 0.00 C ATOM 0 H VAL A 85 1.249 5.878 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 85 0.016 3.286 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.423 5.742 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.518 3.993 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.292 4.041 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.131 2.749 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.849 4.599 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.274 3.306 -1.327 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.862 4.964 -1.597 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.912 4.041 -5.059 1.00 0.00 N ATOM 1290 CA PHE A 86 -3.111 4.391 -5.807 1.00 0.00 C ATOM 1291 C PHE A 86 -4.347 4.043 -4.993 1.00 0.00 C ATOM 1292 O PHE A 86 -4.383 3.046 -4.283 1.00 0.00 O ATOM 1293 CB PHE A 86 -3.082 3.581 -7.095 1.00 0.00 C ATOM 1294 CG PHE A 86 -2.160 4.103 -8.176 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -0.813 3.692 -8.201 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -2.641 4.993 -9.154 1.00 0.00 C ATOM 1297 CE1 PHE A 86 0.053 4.173 -9.197 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -1.776 5.465 -10.158 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.431 5.053 -10.180 1.00 0.00 C ATOM 0 H PHE A 86 -1.625 3.069 -5.170 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.143 5.459 -6.023 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.788 2.559 -6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.094 3.535 -7.497 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.445 3.006 -7.453 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.672 5.313 -9.134 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.089 3.867 -9.207 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.145 6.144 -10.912 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.231 5.414 -10.954 1.00 0.00 H new ATOM 1309 N LYS A 87 -5.397 4.827 -5.180 1.00 0.00 N ATOM 1310 CA LYS A 87 -6.773 4.493 -4.812 1.00 0.00 C ATOM 1311 C LYS A 87 -7.223 3.316 -5.675 1.00 0.00 C ATOM 1312 O LYS A 87 -6.926 3.281 -6.873 1.00 0.00 O ATOM 1313 CB LYS A 87 -7.645 5.736 -5.044 1.00 0.00 C ATOM 1314 CG LYS A 87 -9.115 5.451 -4.717 1.00 0.00 C ATOM 1315 CD LYS A 87 -10.015 6.671 -4.964 1.00 0.00 C ATOM 1316 CE LYS A 87 -10.055 7.606 -3.752 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.956 7.067 -2.703 1.00 0.00 N ATOM 0 H LYS A 87 -5.316 5.749 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.858 4.204 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.285 6.557 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.556 6.057 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.464 4.616 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.200 5.145 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.653 7.219 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.026 6.335 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.050 7.728 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.397 8.594 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.982 7.724 -1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.914 6.957 -3.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.603 6.142 -2.384 1.00 0.00 H new ATOM 1331 N SER A 88 -7.917 2.349 -5.089 1.00 0.00 N ATOM 1332 CA SER A 88 -8.318 1.129 -5.775 1.00 0.00 C ATOM 1333 C SER A 88 -9.599 0.584 -5.146 1.00 0.00 C ATOM 1334 O SER A 88 -10.047 1.064 -4.100 1.00 0.00 O ATOM 1335 CB SER A 88 -7.137 0.151 -5.709 1.00 0.00 C ATOM 1336 OG SER A 88 -6.294 0.343 -6.828 1.00 0.00 O ATOM 0 H SER A 88 -8.220 2.390 -4.116 1.00 0.00 H new ATOM 0 HA SER A 88 -8.552 1.306 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.575 0.306 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.503 -0.875 -5.690 1.00 0.00 H new ATOM 0 HG SER A 88 -6.318 1.285 -7.097 1.00 0.00 H new ATOM 1342 N HIS A 89 -10.214 -0.414 -5.774 1.00 0.00 N ATOM 1343 CA HIS A 89 -11.479 -0.983 -5.304 1.00 0.00 C ATOM 1344 C HIS A 89 -11.467 -2.507 -5.443 1.00 0.00 C ATOM 1345 O HIS A 89 -10.664 -3.070 -6.196 1.00 0.00 O ATOM 1346 CB HIS A 89 -12.665 -0.356 -6.062 1.00 0.00 C ATOM 1347 CG HIS A 89 -12.552 1.137 -6.268 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -12.064 1.748 -7.400 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -12.795 2.124 -5.350 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -12.015 3.071 -7.177 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -12.457 3.353 -5.936 1.00 0.00 N ATOM 0 H HIS A 89 -9.853 -0.852 -6.621 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.598 -0.748 -4.246 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.756 -0.839 -7.035 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.584 -0.567 -5.514 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -11.787 1.277 -8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -13.179 1.981 -4.351 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -11.670 3.805 -7.891 1.00 0.00 H new ATOM 1359 N ARG A 90 -12.343 -3.187 -4.693 1.00 0.00 N ATOM 1360 CA ARG A 90 -12.313 -4.652 -4.566 1.00 0.00 C ATOM 1361 C ARG A 90 -12.514 -5.369 -5.900 1.00 0.00 C ATOM 1362 O ARG A 90 -11.848 -6.369 -6.142 1.00 0.00 O ATOM 1363 CB ARG A 90 -13.315 -5.104 -3.487 1.00 0.00 C ATOM 1364 CG ARG A 90 -12.872 -6.405 -2.799 1.00 0.00 C ATOM 1365 CD ARG A 90 -13.433 -7.707 -3.404 1.00 0.00 C ATOM 1366 NE ARG A 90 -12.472 -8.830 -3.346 1.00 0.00 N ATOM 1367 CZ ARG A 90 -11.702 -9.202 -2.340 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -11.865 -8.795 -1.117 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -10.733 -10.025 -2.581 1.00 0.00 N ATOM 0 H ARG A 90 -13.089 -2.741 -4.159 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.313 -4.943 -4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.423 -4.317 -2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.295 -5.249 -3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.783 -6.455 -2.823 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.165 -6.358 -1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -14.343 -7.986 -2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.713 -7.528 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.394 -9.391 -4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.623 -8.151 -0.891 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.235 -9.120 -0.383 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.580 -10.369 -3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.122 -10.330 -1.823 1.00 0.00 H new ATOM 1383 N THR A 91 -13.347 -4.824 -6.787 1.00 0.00 N ATOM 1384 CA THR A 91 -13.533 -5.297 -8.170 1.00 0.00 C ATOM 1385 C THR A 91 -12.225 -5.399 -8.943 1.00 0.00 C ATOM 1386 O THR A 91 -11.887 -6.478 -9.432 1.00 0.00 O ATOM 1387 CB THR A 91 -14.479 -4.377 -8.973 1.00 0.00 C ATOM 1388 OG1 THR A 91 -14.615 -3.089 -8.397 1.00 0.00 O ATOM 1389 CG2 THR A 91 -15.860 -5.003 -9.089 1.00 0.00 C ATOM 0 H THR A 91 -13.930 -4.018 -6.562 1.00 0.00 H new ATOM 0 HA THR A 91 -13.969 -6.291 -8.066 1.00 0.00 H new ATOM 0 HB THR A 91 -14.025 -4.263 -9.957 1.00 0.00 H new ATOM 0 HG1 THR A 91 -13.883 -2.514 -8.704 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.513 -4.341 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.783 -5.963 -9.600 1.00 0.00 H new ATOM 0 HG23 THR A 91 -16.276 -5.155 -8.093 1.00 0.00 H new ATOM 1397 N GLU A 92 -11.474 -4.299 -9.051 1.00 0.00 N ATOM 1398 CA GLU A 92 -10.225 -4.299 -9.812 1.00 0.00 C ATOM 1399 C GLU A 92 -9.170 -5.173 -9.130 1.00 0.00 C ATOM 1400 O GLU A 92 -8.499 -5.964 -9.790 1.00 0.00 O ATOM 1401 CB GLU A 92 -9.648 -2.884 -9.989 1.00 0.00 C ATOM 1402 CG GLU A 92 -10.541 -1.911 -10.771 1.00 0.00 C ATOM 1403 CD GLU A 92 -11.488 -1.125 -9.845 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -12.550 -1.674 -9.466 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -11.171 0.038 -9.490 1.00 0.00 O ATOM 0 H GLU A 92 -11.709 -3.403 -8.623 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.468 -4.702 -10.795 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.453 -2.462 -9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.687 -2.961 -10.498 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.916 -1.213 -11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.128 -2.466 -11.503 1.00 0.00 H new ATOM 1412 N MET A 93 -9.059 -5.078 -7.802 1.00 0.00 N ATOM 1413 CA MET A 93 -8.110 -5.867 -7.020 1.00 0.00 C ATOM 1414 C MET A 93 -8.292 -7.377 -7.225 1.00 0.00 C ATOM 1415 O MET A 93 -7.334 -8.125 -7.415 1.00 0.00 O ATOM 1416 CB MET A 93 -8.276 -5.516 -5.545 1.00 0.00 C ATOM 1417 CG MET A 93 -7.145 -6.152 -4.736 1.00 0.00 C ATOM 1418 SD MET A 93 -7.610 -7.673 -3.874 1.00 0.00 S ATOM 1419 CE MET A 93 -8.731 -6.954 -2.649 1.00 0.00 C ATOM 0 H MET A 93 -9.629 -4.447 -7.239 1.00 0.00 H new ATOM 0 HA MET A 93 -7.104 -5.622 -7.362 1.00 0.00 H new ATOM 0 HB2 MET A 93 -8.266 -4.434 -5.415 1.00 0.00 H new ATOM 0 HB3 MET A 93 -9.241 -5.872 -5.182 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.312 -6.368 -5.405 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.786 -5.428 -4.004 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.031 -7.722 -1.936 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.224 -6.146 -2.121 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.615 -6.560 -3.151 1.00 0.00 H new ATOM 1429 N ASP A 94 -9.540 -7.836 -7.240 1.00 0.00 N ATOM 1430 CA ASP A 94 -9.841 -9.252 -7.422 1.00 0.00 C ATOM 1431 C ASP A 94 -9.472 -9.741 -8.832 1.00 0.00 C ATOM 1432 O ASP A 94 -9.035 -10.882 -9.007 1.00 0.00 O ATOM 1433 CB ASP A 94 -11.318 -9.528 -7.123 1.00 0.00 C ATOM 1434 CG ASP A 94 -11.443 -10.851 -6.384 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -11.330 -10.835 -5.136 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -11.640 -11.884 -7.058 1.00 0.00 O ATOM 0 H ASP A 94 -10.363 -7.244 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.228 -9.811 -6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.736 -8.721 -6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.889 -9.561 -8.051 1.00 0.00 H new ATOM 1441 N TRP A 95 -9.598 -8.868 -9.838 1.00 0.00 N ATOM 1442 CA TRP A 95 -9.132 -9.110 -11.200 1.00 0.00 C ATOM 1443 C TRP A 95 -7.614 -9.277 -11.211 1.00 0.00 C ATOM 1444 O TRP A 95 -7.131 -10.302 -11.690 1.00 0.00 O ATOM 1445 CB TRP A 95 -9.631 -7.987 -12.136 1.00 0.00 C ATOM 1446 CG TRP A 95 -8.668 -7.337 -13.097 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -8.446 -6.004 -13.172 1.00 0.00 C ATOM 1448 CD2 TRP A 95 -7.817 -7.929 -14.136 1.00 0.00 C ATOM 1449 NE1 TRP A 95 -7.522 -5.731 -14.161 1.00 0.00 N ATOM 1450 CE2 TRP A 95 -7.093 -6.881 -14.783 1.00 0.00 C ATOM 1451 CE3 TRP A 95 -7.570 -9.241 -14.599 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 -6.173 -7.119 -15.815 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 -6.669 -9.493 -15.654 1.00 0.00 C ATOM 1454 CH2 TRP A 95 -5.962 -8.437 -16.253 1.00 0.00 C ATOM 0 H TRP A 95 -10.037 -7.955 -9.721 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.550 -10.042 -11.581 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -10.454 -8.394 -12.724 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -10.047 -7.199 -11.508 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.922 -5.262 -12.549 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.198 -4.794 -14.401 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -8.083 -10.070 -14.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -5.634 -6.300 -16.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -6.521 -10.504 -16.004 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.259 -8.638 -17.048 1.00 0.00 H new ATOM 1465 N VAL A 96 -6.855 -8.327 -10.658 1.00 0.00 N ATOM 1466 CA VAL A 96 -5.401 -8.289 -10.875 1.00 0.00 C ATOM 1467 C VAL A 96 -4.629 -9.386 -10.122 1.00 0.00 C ATOM 1468 O VAL A 96 -3.548 -9.780 -10.560 1.00 0.00 O ATOM 1469 CB VAL A 96 -4.805 -6.908 -10.548 1.00 0.00 C ATOM 1470 CG1 VAL A 96 -5.428 -5.774 -11.358 1.00 0.00 C ATOM 1471 CG2 VAL A 96 -4.961 -6.569 -9.078 1.00 0.00 C ATOM 0 H VAL A 96 -7.215 -7.581 -10.063 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.276 -8.487 -11.940 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.751 -6.989 -10.813 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.963 -4.829 -11.078 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.269 -5.956 -12.421 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.498 -5.726 -11.154 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.529 -5.587 -8.883 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -6.019 -6.558 -8.817 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.447 -7.318 -8.475 1.00 0.00 H new ATOM 1481 N LEU A 97 -5.166 -9.906 -9.010 1.00 0.00 N ATOM 1482 CA LEU A 97 -4.611 -11.049 -8.282 1.00 0.00 C ATOM 1483 C LEU A 97 -4.869 -12.399 -8.980 1.00 0.00 C ATOM 1484 O LEU A 97 -3.969 -13.243 -9.003 1.00 0.00 O ATOM 1485 CB LEU A 97 -5.229 -11.063 -6.875 1.00 0.00 C ATOM 1486 CG LEU A 97 -4.492 -10.204 -5.828 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -4.245 -8.745 -6.168 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -5.307 -10.284 -4.536 1.00 0.00 C ATOM 0 H LEU A 97 -6.016 -9.534 -8.585 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.528 -10.930 -8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.260 -10.717 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.261 -12.093 -6.520 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.487 -10.620 -5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.719 -8.263 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.640 -8.680 -7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.199 -8.243 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.822 -9.689 -3.762 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.311 -9.899 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.370 -11.322 -4.209 1.00 0.00 H new ATOM 1500 N LYS A 98 -6.067 -12.626 -9.545 1.00 0.00 N ATOM 1501 CA LYS A 98 -6.420 -13.874 -10.237 1.00 0.00 C ATOM 1502 C LYS A 98 -5.876 -13.896 -11.667 1.00 0.00 C ATOM 1503 O LYS A 98 -5.199 -14.848 -12.052 1.00 0.00 O ATOM 1504 CB LYS A 98 -7.936 -14.078 -10.213 1.00 0.00 C ATOM 1505 CG LYS A 98 -8.507 -14.296 -8.806 1.00 0.00 C ATOM 1506 CD LYS A 98 -9.933 -14.861 -8.880 1.00 0.00 C ATOM 1507 CE LYS A 98 -10.858 -14.160 -9.877 1.00 0.00 C ATOM 1508 NZ LYS A 98 -11.045 -12.735 -9.545 1.00 0.00 N ATOM 0 H LYS A 98 -6.823 -11.941 -9.533 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.952 -14.704 -9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.418 -13.209 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.188 -14.937 -10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.867 -14.982 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.512 -13.353 -8.260 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.875 -15.917 -9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.382 -14.803 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.443 -14.247 -10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.826 -14.660 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.608 -12.276 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.542 -12.653 -8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -10.117 -12.270 -9.476 1.00 0.00 H new ATOM 1522 N HIS A 99 -6.104 -12.801 -12.394 1.00 0.00 N ATOM 1523 CA HIS A 99 -5.420 -12.363 -13.621 1.00 0.00 C ATOM 1524 C HIS A 99 -5.286 -13.432 -14.741 1.00 0.00 C ATOM 1525 O HIS A 99 -4.402 -13.355 -15.597 1.00 0.00 O ATOM 1526 CB HIS A 99 -4.166 -11.594 -13.148 1.00 0.00 C ATOM 1527 CG HIS A 99 -3.086 -11.234 -14.127 1.00 0.00 C ATOM 1528 ND1 HIS A 99 -3.233 -10.464 -15.256 1.00 0.00 N ATOM 1529 CD2 HIS A 99 -1.745 -11.460 -13.964 1.00 0.00 C ATOM 1530 CE1 HIS A 99 -2.017 -10.266 -15.786 1.00 0.00 C ATOM 1531 NE2 HIS A 99 -1.073 -10.876 -15.046 1.00 0.00 N ATOM 0 H HIS A 99 -6.831 -12.140 -12.121 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.029 -11.677 -14.210 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.510 -10.666 -12.690 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.702 -12.186 -12.359 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -4.113 -10.106 -15.626 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.286 -11.994 -13.145 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.822 -9.696 -16.682 1.00 0.00 H new ATOM 1539 N SER A 100 -6.216 -14.397 -14.761 1.00 0.00 N ATOM 1540 CA SER A 100 -6.379 -15.528 -15.703 1.00 0.00 C ATOM 1541 C SER A 100 -7.333 -16.594 -15.115 1.00 0.00 C ATOM 1542 O SER A 100 -6.914 -17.695 -14.757 1.00 0.00 O ATOM 1543 CB SER A 100 -5.052 -16.148 -16.192 1.00 0.00 C ATOM 1544 OG SER A 100 -4.162 -16.467 -15.131 1.00 0.00 O ATOM 0 H SER A 100 -6.948 -14.412 -14.051 1.00 0.00 H new ATOM 0 HA SER A 100 -6.832 -15.108 -16.601 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.268 -17.052 -16.761 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.562 -15.452 -16.873 1.00 0.00 H new ATOM 0 HG SER A 100 -4.623 -17.030 -14.475 1.00 0.00 H new ATOM 1550 N GLY A 101 -8.626 -16.304 -14.922 1.00 0.00 N ATOM 1551 CA GLY A 101 -9.369 -15.131 -15.414 1.00 0.00 C ATOM 1552 C GLY A 101 -9.502 -13.964 -14.415 1.00 0.00 C ATOM 1553 O GLY A 101 -8.962 -14.039 -13.305 1.00 0.00 O ATOM 0 H GLY A 101 -9.225 -16.926 -14.379 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.877 -14.762 -16.314 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.369 -15.452 -15.706 1.00 0.00 H new ATOM 1557 N PRO A 102 -10.186 -12.872 -14.814 1.00 0.00 N ATOM 1558 CA PRO A 102 -10.647 -11.789 -13.932 1.00 0.00 C ATOM 1559 C PRO A 102 -11.568 -12.239 -12.779 1.00 0.00 C ATOM 1560 O PRO A 102 -12.121 -13.362 -12.814 1.00 0.00 O ATOM 1561 CB PRO A 102 -11.382 -10.791 -14.839 1.00 0.00 C ATOM 1562 CG PRO A 102 -10.893 -11.114 -16.247 1.00 0.00 C ATOM 1563 CD PRO A 102 -10.628 -12.614 -16.178 1.00 0.00 C ATOM 1564 OXT PRO A 102 -11.750 -11.437 -11.837 1.00 0.00 O ATOM 0 HA PRO A 102 -9.781 -11.359 -13.429 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.463 -10.905 -14.759 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.149 -9.762 -14.565 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.642 -10.870 -17.001 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.992 -10.555 -16.500 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -11.528 -13.182 -16.412 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.867 -12.911 -16.899 1.00 0.00 H new TER 1572 PRO A 102