USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 829 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 25 GLN : amide:sc= 0.259 K(o=-1.9,f=-13!) USER MOD Set 1.2: A 89 GLN : amide:sc= -2.34! C(o=-1.9!,f=-3.4!) USER MOD Set 1.3: A 90 HIS : no HE2:sc= 0.234 K(o=-1.9,f=-12!) USER MOD Set 2.1: A 43 SER OG : rot -111:sc= 1.14 USER MOD Set 2.2: A 44 LYS NZ :NH3+ 173:sc= 0.497 (180deg=-0.118) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00819) USER MOD Single : A 9 GLN : amide:sc= -1.49 X(o=-1.5,f=-1.3) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.826 K(o=0.83,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc=-0.00369 (180deg=-0.0846) USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.23) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 39 HIS : no HE2:sc= -0.717 K(o=-0.72,f=-1.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.503 K(o=-0.5,f=-1.4) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.133 USER MOD Single : A 59 LYS NZ :NH3+ -136:sc= -0.964 (180deg=-1.51) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0717 USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= 0.967 (180deg=0.356) USER MOD Single : A 63 TYR OH : rot 59:sc= 1.35 USER MOD Single : A 68 TYR OH : rot -137:sc= -3.2! USER MOD Single : A 70 SER OG : rot -100:sc= 0.123 USER MOD Single : A 73 HIS : no HE2:sc= -11.6! C(o=-12!,f=-14!) USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= 1.23 (180deg=1.2) USER MOD Single : A 80 ASN : amide:sc= 0.361 K(o=0.36,f=-0.97) USER MOD Single : A 84 TYR OH : rot 54:sc=0.000171 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 0.809 (180deg=0.773) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0903 USER MOD Single : A 95 ASN :FLIP amide:sc= 0.442 F(o=-0.97,f=0.44) USER MOD Single : A 98 THR OG1 : rot -166:sc= 0.859 USER MOD Single : A 102 LYS NZ :NH3+ 171:sc= 1.01 (180deg=0.952) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -170:sc= 0 (180deg=-0.132) USER MOD Single : A 105 THR OG1 : rot -7:sc= 0.42 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.185 -18.291 -13.276 1.00 0.00 N ATOM 2 CA GLY A 1 -20.898 -17.942 -11.890 1.00 0.00 C ATOM 3 C GLY A 1 -19.576 -18.520 -11.456 1.00 0.00 C ATOM 4 O GLY A 1 -19.403 -19.752 -11.420 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.100 -17.883 -13.554 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.436 -17.914 -13.891 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.224 -19.326 -13.373 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.880 -16.858 -11.779 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.693 -18.315 -11.244 1.00 0.00 H new ATOM 10 N ASP A 2 -18.640 -17.658 -11.145 1.00 0.00 N ATOM 11 CA ASP A 2 -17.307 -18.075 -10.740 1.00 0.00 C ATOM 12 C ASP A 2 -17.275 -18.361 -9.268 1.00 0.00 C ATOM 13 O ASP A 2 -18.052 -17.795 -8.500 1.00 0.00 O ATOM 14 CB ASP A 2 -16.247 -17.018 -11.092 1.00 0.00 C ATOM 15 CG ASP A 2 -16.043 -16.857 -12.577 1.00 0.00 C ATOM 16 OD1 ASP A 2 -16.897 -16.253 -13.236 1.00 0.00 O ATOM 17 OD2 ASP A 2 -15.028 -17.302 -13.102 1.00 0.00 O ATOM 0 H ASP A 2 -18.774 -16.647 -11.163 1.00 0.00 H new ATOM 0 HA ASP A 2 -17.068 -18.985 -11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.543 -16.059 -10.666 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -15.300 -17.294 -10.629 1.00 0.00 H new ATOM 22 N VAL A 3 -16.423 -19.258 -8.875 1.00 0.00 N ATOM 23 CA VAL A 3 -16.288 -19.593 -7.477 1.00 0.00 C ATOM 24 C VAL A 3 -15.003 -19.015 -6.891 1.00 0.00 C ATOM 25 O VAL A 3 -14.923 -18.750 -5.693 1.00 0.00 O ATOM 26 CB VAL A 3 -16.371 -21.131 -7.217 1.00 0.00 C ATOM 27 CG1 VAL A 3 -17.737 -21.668 -7.612 1.00 0.00 C ATOM 28 CG2 VAL A 3 -15.276 -21.888 -7.963 1.00 0.00 C ATOM 0 H VAL A 3 -15.806 -19.777 -9.500 1.00 0.00 H new ATOM 0 HA VAL A 3 -17.137 -19.137 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.222 -21.289 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.775 -22.741 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -18.508 -21.169 -7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -17.909 -21.480 -8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -15.366 -22.955 -7.757 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -15.379 -21.715 -9.034 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -14.299 -21.536 -7.631 1.00 0.00 H new ATOM 38 N LEU A 4 -14.011 -18.791 -7.737 1.00 0.00 N ATOM 39 CA LEU A 4 -12.738 -18.265 -7.274 1.00 0.00 C ATOM 40 C LEU A 4 -12.590 -16.790 -7.615 1.00 0.00 C ATOM 41 O LEU A 4 -12.153 -15.999 -6.781 1.00 0.00 O ATOM 42 CB LEU A 4 -11.562 -19.070 -7.839 1.00 0.00 C ATOM 43 CG LEU A 4 -11.512 -20.563 -7.476 1.00 0.00 C ATOM 44 CD1 LEU A 4 -10.297 -21.222 -8.101 1.00 0.00 C ATOM 45 CD2 LEU A 4 -11.506 -20.761 -5.967 1.00 0.00 C ATOM 0 H LEU A 4 -14.062 -18.964 -8.741 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.724 -18.363 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.581 -18.984 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.636 -18.606 -7.499 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.410 -21.036 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.278 -22.278 -7.833 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.347 -21.123 -9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.392 -20.738 -7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.470 -21.827 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.632 -20.269 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.411 -20.329 -5.540 1.00 0.00 H new ATOM 57 N LYS A 5 -12.926 -16.420 -8.847 1.00 0.00 N ATOM 58 CA LYS A 5 -12.864 -15.025 -9.272 1.00 0.00 C ATOM 59 C LYS A 5 -13.958 -14.194 -8.626 1.00 0.00 C ATOM 60 O LYS A 5 -13.743 -13.032 -8.254 1.00 0.00 O ATOM 61 CB LYS A 5 -12.985 -14.979 -10.760 1.00 0.00 C ATOM 62 CG LYS A 5 -11.800 -15.595 -11.454 1.00 0.00 C ATOM 63 CD LYS A 5 -12.146 -16.021 -12.843 1.00 0.00 C ATOM 64 CE LYS A 5 -12.692 -14.880 -13.703 1.00 0.00 C ATOM 65 NZ LYS A 5 -11.747 -13.751 -13.832 1.00 0.00 N ATOM 0 H LYS A 5 -13.244 -17.067 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 5 -11.912 -14.599 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.892 -15.502 -11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.092 -13.943 -11.081 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.980 -14.877 -11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.449 -16.455 -10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.258 -16.435 -13.321 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.886 -16.820 -12.798 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.930 -15.262 -14.696 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.624 -14.519 -13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.150 -13.032 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.577 -13.332 -12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.848 -14.094 -14.226 1.00 0.00 H new ATOM 79 N ASP A 6 -15.116 -14.792 -8.486 1.00 0.00 N ATOM 80 CA ASP A 6 -16.228 -14.144 -7.853 1.00 0.00 C ATOM 81 C ASP A 6 -16.096 -14.358 -6.383 1.00 0.00 C ATOM 82 O ASP A 6 -16.266 -15.468 -5.873 1.00 0.00 O ATOM 83 CB ASP A 6 -17.561 -14.670 -8.365 1.00 0.00 C ATOM 84 CG ASP A 6 -18.731 -14.062 -7.634 1.00 0.00 C ATOM 85 OD1 ASP A 6 -19.072 -12.889 -7.900 1.00 0.00 O ATOM 86 OD2 ASP A 6 -19.331 -14.736 -6.771 1.00 0.00 O ATOM 0 H ASP A 6 -15.309 -15.740 -8.809 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.214 -13.080 -8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.649 -14.456 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.589 -15.754 -8.254 1.00 0.00 H new ATOM 91 N ARG A 7 -15.715 -13.328 -5.729 1.00 0.00 N ATOM 92 CA ARG A 7 -15.411 -13.378 -4.340 1.00 0.00 C ATOM 93 C ARG A 7 -15.858 -12.149 -3.616 1.00 0.00 C ATOM 94 O ARG A 7 -15.744 -11.044 -4.141 1.00 0.00 O ATOM 95 CB ARG A 7 -13.894 -13.478 -4.151 1.00 0.00 C ATOM 96 CG ARG A 7 -13.333 -14.871 -4.001 1.00 0.00 C ATOM 97 CD ARG A 7 -13.809 -15.506 -2.708 1.00 0.00 C ATOM 98 NE ARG A 7 -13.566 -14.628 -1.539 1.00 0.00 N ATOM 99 CZ ARG A 7 -12.954 -14.984 -0.403 1.00 0.00 C ATOM 100 NH1 ARG A 7 -12.351 -16.163 -0.290 1.00 0.00 N ATOM 101 NH2 ARG A 7 -12.913 -14.135 0.607 1.00 0.00 N ATOM 0 H ARG A 7 -15.601 -12.404 -6.147 1.00 0.00 H new ATOM 0 HA ARG A 7 -15.934 -14.245 -3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -13.410 -13.004 -5.005 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -13.620 -12.901 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -13.640 -15.485 -4.848 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -12.244 -14.833 -4.013 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -14.874 -15.726 -2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -13.297 -16.457 -2.561 1.00 0.00 H new ATOM 0 HE ARG A 7 -13.895 -13.665 -1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.350 -16.813 -1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.889 -16.418 0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.346 -13.216 0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.449 -14.398 1.476 1.00 0.00 H new ATOM 115 N PRO A 8 -16.417 -12.316 -2.420 1.00 0.00 N ATOM 116 CA PRO A 8 -16.542 -11.222 -1.498 1.00 0.00 C ATOM 117 C PRO A 8 -15.140 -11.027 -0.938 1.00 0.00 C ATOM 118 O PRO A 8 -14.491 -12.010 -0.513 1.00 0.00 O ATOM 119 CB PRO A 8 -17.494 -11.749 -0.414 1.00 0.00 C ATOM 120 CG PRO A 8 -17.390 -13.235 -0.484 1.00 0.00 C ATOM 121 CD PRO A 8 -17.004 -13.570 -1.898 1.00 0.00 C ATOM 0 HA PRO A 8 -16.914 -10.285 -1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.209 -11.381 0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.517 -11.418 -0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.644 -13.605 0.220 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.338 -13.703 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.287 -14.390 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -17.869 -13.879 -2.485 1.00 0.00 H new ATOM 129 N GLN A 9 -14.626 -9.844 -0.973 1.00 0.00 N ATOM 130 CA GLN A 9 -13.263 -9.712 -0.598 1.00 0.00 C ATOM 131 C GLN A 9 -13.113 -9.161 0.797 1.00 0.00 C ATOM 132 O GLN A 9 -13.993 -8.459 1.302 1.00 0.00 O ATOM 133 CB GLN A 9 -12.463 -8.927 -1.634 1.00 0.00 C ATOM 134 CG GLN A 9 -10.983 -9.250 -1.588 1.00 0.00 C ATOM 135 CD GLN A 9 -10.728 -10.752 -1.766 1.00 0.00 C ATOM 136 OE1 GLN A 9 -11.479 -11.448 -2.438 1.00 0.00 O ATOM 137 NE2 GLN A 9 -9.690 -11.257 -1.156 1.00 0.00 N ATOM 0 H GLN A 9 -15.107 -8.987 -1.246 1.00 0.00 H new ATOM 0 HA GLN A 9 -12.835 -10.714 -0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -12.849 -9.146 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -12.604 -7.859 -1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.465 -8.697 -2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.567 -8.920 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.081 -10.655 -0.603 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.488 -12.254 -1.233 1.00 0.00 H new ATOM 146 N GLU A 10 -11.967 -9.445 1.383 1.00 0.00 N ATOM 147 CA GLU A 10 -11.643 -9.155 2.770 1.00 0.00 C ATOM 148 C GLU A 10 -11.352 -7.673 3.027 1.00 0.00 C ATOM 149 O GLU A 10 -10.731 -7.330 4.024 1.00 0.00 O ATOM 150 CB GLU A 10 -10.437 -10.002 3.191 1.00 0.00 C ATOM 151 CG GLU A 10 -10.606 -11.490 2.918 1.00 0.00 C ATOM 152 CD GLU A 10 -11.890 -12.044 3.484 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.965 -12.291 4.701 1.00 0.00 O ATOM 154 OE2 GLU A 10 -12.843 -12.254 2.715 1.00 0.00 O ATOM 0 H GLU A 10 -11.203 -9.903 0.887 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.521 -9.406 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.552 -9.644 2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.256 -9.856 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.584 -11.663 1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.762 -12.032 3.345 1.00 0.00 H new ATOM 161 N ALA A 11 -11.794 -6.806 2.140 1.00 0.00 N ATOM 162 CA ALA A 11 -11.664 -5.387 2.358 1.00 0.00 C ATOM 163 C ALA A 11 -12.732 -4.996 3.365 1.00 0.00 C ATOM 164 O ALA A 11 -13.911 -4.823 3.024 1.00 0.00 O ATOM 165 CB ALA A 11 -11.814 -4.611 1.056 1.00 0.00 C ATOM 0 H ALA A 11 -12.246 -7.063 1.262 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.672 -5.145 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.711 -3.544 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.042 -4.926 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.797 -4.807 0.627 1.00 0.00 H new ATOM 171 N ASP A 12 -12.339 -4.981 4.602 1.00 0.00 N ATOM 172 CA ASP A 12 -13.242 -4.750 5.696 1.00 0.00 C ATOM 173 C ASP A 12 -12.852 -3.520 6.456 1.00 0.00 C ATOM 174 O ASP A 12 -11.722 -3.405 6.965 1.00 0.00 O ATOM 175 CB ASP A 12 -13.261 -5.969 6.604 1.00 0.00 C ATOM 176 CG ASP A 12 -14.173 -5.837 7.794 1.00 0.00 C ATOM 177 OD1 ASP A 12 -15.413 -5.847 7.615 1.00 0.00 O ATOM 178 OD2 ASP A 12 -13.672 -5.767 8.937 1.00 0.00 O ATOM 0 H ASP A 12 -11.371 -5.130 4.887 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.246 -4.588 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.566 -6.838 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.248 -6.162 6.956 1.00 0.00 H new ATOM 183 N GLY A 13 -13.750 -2.589 6.486 1.00 0.00 N ATOM 184 CA GLY A 13 -13.538 -1.342 7.169 1.00 0.00 C ATOM 185 C GLY A 13 -12.819 -0.321 6.320 1.00 0.00 C ATOM 186 O GLY A 13 -13.268 0.816 6.193 1.00 0.00 O ATOM 0 H GLY A 13 -14.661 -2.668 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.501 -0.936 7.480 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.961 -1.524 8.076 1.00 0.00 H new ATOM 190 N ILE A 14 -11.721 -0.720 5.724 1.00 0.00 N ATOM 191 CA ILE A 14 -10.914 0.181 4.957 1.00 0.00 C ATOM 192 C ILE A 14 -10.636 -0.377 3.551 1.00 0.00 C ATOM 193 O ILE A 14 -10.185 -1.511 3.395 1.00 0.00 O ATOM 194 CB ILE A 14 -9.578 0.503 5.709 1.00 0.00 C ATOM 195 CG1 ILE A 14 -8.718 1.506 4.942 1.00 0.00 C ATOM 196 CG2 ILE A 14 -8.779 -0.758 6.018 1.00 0.00 C ATOM 197 CD1 ILE A 14 -9.328 2.884 4.815 1.00 0.00 C ATOM 0 H ILE A 14 -11.368 -1.676 5.760 1.00 0.00 H new ATOM 0 HA ILE A 14 -11.470 1.111 4.837 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.863 0.960 6.657 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.753 1.594 5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -8.527 1.113 3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.861 -0.488 6.540 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.373 -1.420 6.648 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -8.531 -1.269 5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.651 3.531 4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.280 2.814 4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.493 3.302 5.808 1.00 0.00 H new ATOM 209 N ASP A 15 -10.974 0.406 2.555 1.00 0.00 N ATOM 210 CA ASP A 15 -10.700 0.072 1.145 1.00 0.00 C ATOM 211 C ASP A 15 -9.588 0.947 0.570 1.00 0.00 C ATOM 212 O ASP A 15 -8.974 0.620 -0.383 1.00 0.00 O ATOM 213 CB ASP A 15 -11.975 0.233 0.286 1.00 0.00 C ATOM 214 CG ASP A 15 -11.689 0.272 -1.221 1.00 0.00 C ATOM 215 OD1 ASP A 15 -11.523 -0.793 -1.857 1.00 0.00 O ATOM 216 OD2 ASP A 15 -11.629 1.395 -1.791 1.00 0.00 O ATOM 0 H ASP A 15 -11.449 1.300 2.682 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.375 -0.968 1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.655 -0.592 0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.487 1.151 0.576 1.00 0.00 H new ATOM 221 N SER A 16 -9.291 2.014 1.197 1.00 0.00 N ATOM 222 CA SER A 16 -8.366 2.960 0.601 1.00 0.00 C ATOM 223 C SER A 16 -6.883 2.630 0.868 1.00 0.00 C ATOM 224 O SER A 16 -5.994 3.304 0.349 1.00 0.00 O ATOM 225 CB SER A 16 -8.701 4.358 1.069 1.00 0.00 C ATOM 226 OG SER A 16 -10.084 4.645 0.847 1.00 0.00 O ATOM 0 H SER A 16 -9.656 2.276 2.113 1.00 0.00 H new ATOM 0 HA SER A 16 -8.490 2.889 -0.480 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.469 4.458 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.084 5.083 0.538 1.00 0.00 H new ATOM 0 HG SER A 16 -10.284 5.553 1.157 1.00 0.00 H new ATOM 232 N VAL A 17 -6.616 1.576 1.611 1.00 0.00 N ATOM 233 CA VAL A 17 -5.251 1.265 1.980 1.00 0.00 C ATOM 234 C VAL A 17 -4.816 -0.081 1.419 1.00 0.00 C ATOM 235 O VAL A 17 -5.510 -1.081 1.573 1.00 0.00 O ATOM 236 CB VAL A 17 -5.037 1.290 3.527 1.00 0.00 C ATOM 237 CG1 VAL A 17 -3.586 0.989 3.895 1.00 0.00 C ATOM 238 CG2 VAL A 17 -5.443 2.634 4.100 1.00 0.00 C ATOM 0 H VAL A 17 -7.317 0.927 1.968 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.630 2.046 1.542 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.668 0.512 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.473 1.015 4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.314 0.000 3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.934 1.737 3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.287 2.632 5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.839 3.420 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.496 2.818 3.886 1.00 0.00 H new ATOM 248 N ILE A 18 -3.685 -0.078 0.748 1.00 0.00 N ATOM 249 CA ILE A 18 -3.086 -1.292 0.235 1.00 0.00 C ATOM 250 C ILE A 18 -2.088 -1.739 1.272 1.00 0.00 C ATOM 251 O ILE A 18 -1.336 -0.916 1.803 1.00 0.00 O ATOM 252 CB ILE A 18 -2.304 -1.062 -1.086 1.00 0.00 C ATOM 253 CG1 ILE A 18 -3.095 -0.192 -2.064 1.00 0.00 C ATOM 254 CG2 ILE A 18 -1.910 -2.401 -1.740 1.00 0.00 C ATOM 255 CD1 ILE A 18 -4.429 -0.771 -2.507 1.00 0.00 C ATOM 0 H ILE A 18 -3.153 0.768 0.542 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.875 -2.016 0.034 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.389 -0.527 -0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.273 0.778 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.482 -0.016 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.364 -2.208 -2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.278 -2.968 -1.056 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.809 -2.975 -1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.913 -0.081 -3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.264 -1.727 -3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.068 -0.921 -1.637 1.00 0.00 H new ATOM 267 N VAL A 19 -2.076 -2.996 1.540 1.00 0.00 N ATOM 268 CA VAL A 19 -1.217 -3.585 2.556 1.00 0.00 C ATOM 269 C VAL A 19 -0.607 -4.850 1.998 1.00 0.00 C ATOM 270 O VAL A 19 -1.329 -5.777 1.624 1.00 0.00 O ATOM 271 CB VAL A 19 -2.001 -3.977 3.851 1.00 0.00 C ATOM 272 CG1 VAL A 19 -1.058 -4.474 4.944 1.00 0.00 C ATOM 273 CG2 VAL A 19 -2.870 -2.844 4.367 1.00 0.00 C ATOM 0 H VAL A 19 -2.668 -3.674 1.060 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.466 -2.840 2.817 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.667 -4.794 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.635 -4.738 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.518 -5.351 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.346 -3.688 5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.393 -3.167 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.244 -1.983 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.598 -2.567 3.604 1.00 0.00 H new ATOM 283 N VAL A 20 0.691 -4.885 1.920 1.00 0.00 N ATOM 284 CA VAL A 20 1.395 -6.062 1.438 1.00 0.00 C ATOM 285 C VAL A 20 2.420 -6.531 2.445 1.00 0.00 C ATOM 286 O VAL A 20 3.165 -5.721 3.018 1.00 0.00 O ATOM 287 CB VAL A 20 2.069 -5.863 0.053 1.00 0.00 C ATOM 288 CG1 VAL A 20 1.033 -5.762 -1.054 1.00 0.00 C ATOM 289 CG2 VAL A 20 2.925 -4.625 0.055 1.00 0.00 C ATOM 0 H VAL A 20 1.298 -4.109 2.184 1.00 0.00 H new ATOM 0 HA VAL A 20 0.629 -6.827 1.309 1.00 0.00 H new ATOM 0 HB VAL A 20 2.696 -6.735 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.536 -5.623 -2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.442 -6.677 -1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.377 -4.913 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.389 -4.502 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.306 -3.755 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.701 -4.720 0.815 1.00 0.00 H new ATOM 299 N ASP A 21 2.416 -7.809 2.687 1.00 0.00 N ATOM 300 CA ASP A 21 3.336 -8.446 3.604 1.00 0.00 C ATOM 301 C ASP A 21 4.504 -9.055 2.843 1.00 0.00 C ATOM 302 O ASP A 21 4.310 -9.688 1.805 1.00 0.00 O ATOM 303 CB ASP A 21 2.612 -9.523 4.424 1.00 0.00 C ATOM 304 CG ASP A 21 3.534 -10.277 5.360 1.00 0.00 C ATOM 305 OD1 ASP A 21 3.871 -9.760 6.447 1.00 0.00 O ATOM 306 OD2 ASP A 21 3.948 -11.389 5.025 1.00 0.00 O ATOM 0 H ASP A 21 1.763 -8.457 2.247 1.00 0.00 H new ATOM 0 HA ASP A 21 3.724 -7.691 4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.817 -9.056 5.005 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.136 -10.230 3.744 1.00 0.00 H new ATOM 311 N ASN A 22 5.692 -8.826 3.384 1.00 0.00 N ATOM 312 CA ASN A 22 7.010 -9.252 2.878 1.00 0.00 C ATOM 313 C ASN A 22 7.303 -8.989 1.410 1.00 0.00 C ATOM 314 O ASN A 22 7.112 -9.826 0.530 1.00 0.00 O ATOM 315 CB ASN A 22 7.555 -10.610 3.426 1.00 0.00 C ATOM 316 CG ASN A 22 6.744 -11.870 3.128 1.00 0.00 C ATOM 317 OD1 ASN A 22 6.719 -12.792 3.942 1.00 0.00 O ATOM 318 ND2 ASN A 22 6.125 -11.952 1.999 1.00 0.00 N ATOM 0 H ASN A 22 5.777 -8.299 4.253 1.00 0.00 H new ATOM 0 HA ASN A 22 7.646 -8.516 3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.559 -10.755 3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.652 -10.521 4.508 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.600 -12.795 1.765 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.160 -11.174 1.340 1.00 0.00 H new ATOM 325 N VAL A 23 7.773 -7.799 1.175 1.00 0.00 N ATOM 326 CA VAL A 23 8.183 -7.340 -0.132 1.00 0.00 C ATOM 327 C VAL A 23 9.612 -7.835 -0.425 1.00 0.00 C ATOM 328 O VAL A 23 10.243 -8.428 0.471 1.00 0.00 O ATOM 329 CB VAL A 23 8.116 -5.775 -0.206 1.00 0.00 C ATOM 330 CG1 VAL A 23 6.674 -5.307 -0.168 1.00 0.00 C ATOM 331 CG2 VAL A 23 8.902 -5.133 0.944 1.00 0.00 C ATOM 0 H VAL A 23 7.887 -7.096 1.905 1.00 0.00 H new ATOM 0 HA VAL A 23 7.506 -7.744 -0.884 1.00 0.00 H new ATOM 0 HB VAL A 23 8.569 -5.465 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.643 -4.219 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.133 -5.726 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.208 -5.639 0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.838 -4.048 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.481 -5.455 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.946 -5.440 0.887 1.00 0.00 H new ATOM 341 N PRO A 24 10.107 -7.689 -1.696 1.00 0.00 N ATOM 342 CA PRO A 24 11.495 -8.000 -2.061 1.00 0.00 C ATOM 343 C PRO A 24 12.499 -7.462 -1.039 1.00 0.00 C ATOM 344 O PRO A 24 12.354 -6.335 -0.535 1.00 0.00 O ATOM 345 CB PRO A 24 11.686 -7.292 -3.422 1.00 0.00 C ATOM 346 CG PRO A 24 10.386 -6.594 -3.708 1.00 0.00 C ATOM 347 CD PRO A 24 9.352 -7.280 -2.877 1.00 0.00 C ATOM 0 HA PRO A 24 11.669 -9.075 -2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 24 12.511 -6.580 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.925 -8.010 -4.206 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.449 -5.536 -3.455 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.137 -6.654 -4.767 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.530 -6.611 -2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.918 -8.135 -3.396 1.00 0.00 H new ATOM 355 N GLN A 25 13.495 -8.270 -0.729 1.00 0.00 N ATOM 356 CA GLN A 25 14.475 -7.916 0.266 1.00 0.00 C ATOM 357 C GLN A 25 15.342 -6.777 -0.263 1.00 0.00 C ATOM 358 O GLN A 25 15.512 -6.631 -1.481 1.00 0.00 O ATOM 359 CB GLN A 25 15.333 -9.141 0.657 1.00 0.00 C ATOM 360 CG GLN A 25 16.530 -9.445 -0.250 1.00 0.00 C ATOM 361 CD GLN A 25 16.159 -9.824 -1.680 1.00 0.00 C ATOM 362 OE1 GLN A 25 15.099 -10.391 -1.946 1.00 0.00 O ATOM 363 NE2 GLN A 25 17.035 -9.545 -2.600 1.00 0.00 N ATOM 0 H GLN A 25 13.643 -9.183 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 25 13.965 -7.580 1.169 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.701 -8.992 1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.687 -10.019 0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 25 17.181 -8.571 -0.276 1.00 0.00 H new ATOM 0 HG3 GLN A 25 17.106 -10.259 0.190 1.00 0.00 H new ATOM 0 HE21 GLN A 25 17.905 -9.074 -2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 25 16.852 -9.797 -3.571 1.00 0.00 H new ATOM 372 N VAL A 26 15.916 -6.006 0.615 1.00 0.00 N ATOM 373 CA VAL A 26 16.654 -4.847 0.189 1.00 0.00 C ATOM 374 C VAL A 26 18.062 -4.905 0.726 1.00 0.00 C ATOM 375 O VAL A 26 18.309 -5.461 1.798 1.00 0.00 O ATOM 376 CB VAL A 26 15.994 -3.502 0.654 1.00 0.00 C ATOM 377 CG1 VAL A 26 16.542 -2.325 -0.130 1.00 0.00 C ATOM 378 CG2 VAL A 26 14.478 -3.553 0.583 1.00 0.00 C ATOM 0 H VAL A 26 15.889 -6.155 1.624 1.00 0.00 H new ATOM 0 HA VAL A 26 16.654 -4.862 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 26 16.258 -3.362 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.067 -1.406 0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.619 -2.256 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.335 -2.466 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.066 -2.600 0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.168 -3.745 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.110 -4.351 1.228 1.00 0.00 H new ATOM 388 N GLY A 27 18.963 -4.372 -0.030 1.00 0.00 N ATOM 389 CA GLY A 27 20.318 -4.238 0.370 1.00 0.00 C ATOM 390 C GLY A 27 20.650 -2.782 0.303 1.00 0.00 C ATOM 391 O GLY A 27 19.791 -2.003 -0.150 1.00 0.00 O ATOM 0 H GLY A 27 18.770 -4.010 -0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 27 20.462 -4.620 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 27 20.972 -4.814 -0.285 1.00 0.00 H new ATOM 395 N PRO A 28 21.841 -2.359 0.718 1.00 0.00 N ATOM 396 CA PRO A 28 22.210 -0.948 0.700 1.00 0.00 C ATOM 397 C PRO A 28 22.060 -0.336 -0.694 1.00 0.00 C ATOM 398 O PRO A 28 22.549 -0.886 -1.690 1.00 0.00 O ATOM 399 CB PRO A 28 23.686 -0.944 1.136 1.00 0.00 C ATOM 400 CG PRO A 28 24.137 -2.358 0.998 1.00 0.00 C ATOM 401 CD PRO A 28 22.922 -3.202 1.229 1.00 0.00 C ATOM 0 HA PRO A 28 21.569 -0.352 1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 28 24.280 -0.278 0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 28 23.792 -0.595 2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 28 24.556 -2.539 0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 28 24.918 -2.591 1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 28 22.981 -4.151 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 28 22.787 -3.437 2.285 1.00 0.00 H new ATOM 409 N ASP A 29 21.324 0.761 -0.746 1.00 0.00 N ATOM 410 CA ASP A 29 21.076 1.554 -1.960 1.00 0.00 C ATOM 411 C ASP A 29 20.227 0.846 -2.977 1.00 0.00 C ATOM 412 O ASP A 29 20.147 1.267 -4.127 1.00 0.00 O ATOM 413 CB ASP A 29 22.365 2.085 -2.602 1.00 0.00 C ATOM 414 CG ASP A 29 23.027 3.155 -1.797 1.00 0.00 C ATOM 415 OD1 ASP A 29 22.705 4.347 -2.005 1.00 0.00 O ATOM 416 OD2 ASP A 29 23.883 2.848 -0.941 1.00 0.00 O ATOM 0 H ASP A 29 20.863 1.146 0.078 1.00 0.00 H new ATOM 0 HA ASP A 29 20.503 2.413 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 29 23.062 1.258 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 29 22.135 2.475 -3.593 1.00 0.00 H new ATOM 421 N ARG A 30 19.536 -0.179 -2.566 1.00 0.00 N ATOM 422 CA ARG A 30 18.665 -0.868 -3.491 1.00 0.00 C ATOM 423 C ARG A 30 17.211 -0.512 -3.243 1.00 0.00 C ATOM 424 O ARG A 30 16.317 -0.915 -3.997 1.00 0.00 O ATOM 425 CB ARG A 30 18.865 -2.376 -3.474 1.00 0.00 C ATOM 426 CG ARG A 30 20.276 -2.829 -3.815 1.00 0.00 C ATOM 427 CD ARG A 30 20.303 -4.304 -4.193 1.00 0.00 C ATOM 428 NE ARG A 30 19.755 -5.180 -3.148 1.00 0.00 N ATOM 429 CZ ARG A 30 18.543 -5.767 -3.192 1.00 0.00 C ATOM 430 NH1 ARG A 30 17.734 -5.563 -4.216 1.00 0.00 N ATOM 431 NH2 ARG A 30 18.158 -6.561 -2.218 1.00 0.00 N ATOM 0 H ARG A 30 19.553 -0.555 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 30 18.940 -0.525 -4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.605 -2.753 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 30 18.170 -2.830 -4.181 1.00 0.00 H new ATOM 0 HG2 ARG A 30 20.663 -2.232 -4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 30 20.932 -2.657 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 30 19.735 -4.447 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 30 21.331 -4.600 -4.404 1.00 0.00 H new ATOM 0 HE ARG A 30 20.336 -5.357 -2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 30 18.025 -4.957 -4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.818 -6.012 -4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 30 18.777 -6.734 -1.426 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.240 -7.004 -2.254 1.00 0.00 H new ATOM 445 N LEU A 31 16.972 0.240 -2.177 1.00 0.00 N ATOM 446 CA LEU A 31 15.625 0.681 -1.825 1.00 0.00 C ATOM 447 C LEU A 31 15.096 1.662 -2.884 1.00 0.00 C ATOM 448 O LEU A 31 13.903 1.680 -3.184 1.00 0.00 O ATOM 449 CB LEU A 31 15.660 1.346 -0.419 1.00 0.00 C ATOM 450 CG LEU A 31 14.346 1.452 0.405 1.00 0.00 C ATOM 451 CD1 LEU A 31 13.303 2.342 -0.233 1.00 0.00 C ATOM 452 CD2 LEU A 31 13.774 0.085 0.662 1.00 0.00 C ATOM 0 H LEU A 31 17.698 0.560 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 31 14.951 -0.175 -1.796 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.382 0.797 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.051 2.356 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 31 14.618 1.922 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.414 2.369 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.702 3.351 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.041 1.949 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.855 0.178 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.557 -0.403 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.495 -0.512 1.221 1.00 0.00 H new ATOM 464 N GLU A 32 15.996 2.426 -3.488 1.00 0.00 N ATOM 465 CA GLU A 32 15.607 3.459 -4.435 1.00 0.00 C ATOM 466 C GLU A 32 14.873 2.901 -5.654 1.00 0.00 C ATOM 467 O GLU A 32 13.899 3.488 -6.110 1.00 0.00 O ATOM 468 CB GLU A 32 16.792 4.304 -4.876 1.00 0.00 C ATOM 469 CG GLU A 32 17.515 5.004 -3.744 1.00 0.00 C ATOM 470 CD GLU A 32 16.621 5.858 -2.869 1.00 0.00 C ATOM 471 OE1 GLU A 32 15.878 6.723 -3.387 1.00 0.00 O ATOM 472 OE2 GLU A 32 16.643 5.676 -1.640 1.00 0.00 O ATOM 0 H GLU A 32 17.002 2.349 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 32 14.909 4.100 -3.897 1.00 0.00 H new ATOM 0 HB2 GLU A 32 17.501 3.667 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 32 16.444 5.053 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.004 4.254 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 32 18.301 5.632 -4.163 1.00 0.00 H new ATOM 479 N LYS A 33 15.312 1.768 -6.171 1.00 0.00 N ATOM 480 CA LYS A 33 14.641 1.197 -7.331 1.00 0.00 C ATOM 481 C LYS A 33 13.442 0.366 -6.917 1.00 0.00 C ATOM 482 O LYS A 33 12.588 0.018 -7.743 1.00 0.00 O ATOM 483 CB LYS A 33 15.584 0.405 -8.241 1.00 0.00 C ATOM 484 CG LYS A 33 16.144 -0.887 -7.679 1.00 0.00 C ATOM 485 CD LYS A 33 17.068 -1.526 -8.703 1.00 0.00 C ATOM 486 CE LYS A 33 17.611 -2.862 -8.246 1.00 0.00 C ATOM 487 NZ LYS A 33 16.555 -3.883 -8.105 1.00 0.00 N ATOM 0 H LYS A 33 16.108 1.235 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 33 14.284 2.038 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.052 0.173 -9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.420 1.051 -8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.688 -0.689 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.332 -1.570 -7.430 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.528 -1.659 -9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.899 -0.851 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.356 -3.211 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.120 -2.736 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.991 -4.813 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.942 -3.640 -7.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.987 -3.917 -8.975 1.00 0.00 H new ATOM 501 N LEU A 34 13.358 0.063 -5.636 1.00 0.00 N ATOM 502 CA LEU A 34 12.218 -0.660 -5.109 1.00 0.00 C ATOM 503 C LEU A 34 11.020 0.288 -5.085 1.00 0.00 C ATOM 504 O LEU A 34 9.885 -0.122 -5.257 1.00 0.00 O ATOM 505 CB LEU A 34 12.549 -1.268 -3.712 1.00 0.00 C ATOM 506 CG LEU A 34 11.447 -2.096 -2.996 1.00 0.00 C ATOM 507 CD1 LEU A 34 12.087 -3.028 -1.993 1.00 0.00 C ATOM 508 CD2 LEU A 34 10.466 -1.192 -2.249 1.00 0.00 C ATOM 0 H LEU A 34 14.065 0.306 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 34 11.968 -1.508 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.425 -1.906 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.834 -0.450 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 34 10.905 -2.656 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.313 -3.609 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.771 -3.703 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.639 -2.445 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.708 -1.804 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.004 -0.612 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.985 -0.515 -2.955 1.00 0.00 H new ATOM 520 N LYS A 35 11.310 1.573 -4.948 1.00 0.00 N ATOM 521 CA LYS A 35 10.289 2.625 -4.964 1.00 0.00 C ATOM 522 C LYS A 35 9.619 2.704 -6.336 1.00 0.00 C ATOM 523 O LYS A 35 8.496 3.168 -6.469 1.00 0.00 O ATOM 524 CB LYS A 35 10.928 3.980 -4.672 1.00 0.00 C ATOM 525 CG LYS A 35 11.610 4.100 -3.326 1.00 0.00 C ATOM 526 CD LYS A 35 12.294 5.448 -3.209 1.00 0.00 C ATOM 527 CE LYS A 35 12.955 5.641 -1.860 1.00 0.00 C ATOM 528 NZ LYS A 35 13.664 6.931 -1.775 1.00 0.00 N ATOM 0 H LYS A 35 12.260 1.923 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 35 9.548 2.382 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.660 4.193 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.158 4.748 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.878 3.984 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.341 3.300 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.043 5.542 -3.995 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.562 6.240 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.200 5.589 -1.075 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.658 4.828 -1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.088 7.032 -0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.412 6.964 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.992 7.708 -1.938 1.00 0.00 H new ATOM 542 N ASN A 36 10.305 2.210 -7.342 1.00 0.00 N ATOM 543 CA ASN A 36 9.838 2.311 -8.702 1.00 0.00 C ATOM 544 C ASN A 36 8.802 1.263 -8.974 1.00 0.00 C ATOM 545 O ASN A 36 7.743 1.555 -9.518 1.00 0.00 O ATOM 546 CB ASN A 36 11.011 2.169 -9.683 1.00 0.00 C ATOM 547 CG ASN A 36 10.581 2.169 -11.146 1.00 0.00 C ATOM 548 OD1 ASN A 36 10.303 1.121 -11.726 1.00 0.00 O ATOM 549 ND2 ASN A 36 10.551 3.318 -11.752 1.00 0.00 N ATOM 0 H ASN A 36 11.199 1.729 -7.239 1.00 0.00 H new ATOM 0 HA ASN A 36 9.386 3.293 -8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.713 2.986 -9.519 1.00 0.00 H new ATOM 0 HB3 ASN A 36 11.544 1.243 -9.469 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.291 3.368 -12.737 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.787 4.170 -11.243 1.00 0.00 H new ATOM 556 N VAL A 37 9.072 0.052 -8.510 1.00 0.00 N ATOM 557 CA VAL A 37 8.219 -1.090 -8.794 1.00 0.00 C ATOM 558 C VAL A 37 6.810 -0.908 -8.180 1.00 0.00 C ATOM 559 O VAL A 37 5.819 -1.453 -8.685 1.00 0.00 O ATOM 560 CB VAL A 37 8.886 -2.422 -8.331 1.00 0.00 C ATOM 561 CG1 VAL A 37 8.891 -2.592 -6.822 1.00 0.00 C ATOM 562 CG2 VAL A 37 8.277 -3.610 -9.024 1.00 0.00 C ATOM 0 H VAL A 37 9.883 -0.165 -7.930 1.00 0.00 H new ATOM 0 HA VAL A 37 8.092 -1.150 -9.875 1.00 0.00 H new ATOM 0 HB VAL A 37 9.933 -2.362 -8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.368 -3.537 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.443 -1.770 -6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.866 -2.590 -6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.764 -4.522 -8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.212 -3.659 -8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 37 8.412 -3.512 -10.101 1.00 0.00 H new ATOM 572 N ILE A 38 6.749 -0.089 -7.134 1.00 0.00 N ATOM 573 CA ILE A 38 5.512 0.254 -6.434 1.00 0.00 C ATOM 574 C ILE A 38 4.484 0.825 -7.415 1.00 0.00 C ATOM 575 O ILE A 38 3.425 0.240 -7.618 1.00 0.00 O ATOM 576 CB ILE A 38 5.790 1.304 -5.310 1.00 0.00 C ATOM 577 CG1 ILE A 38 6.866 0.803 -4.319 1.00 0.00 C ATOM 578 CG2 ILE A 38 4.520 1.696 -4.570 1.00 0.00 C ATOM 579 CD1 ILE A 38 6.591 -0.557 -3.713 1.00 0.00 C ATOM 0 H ILE A 38 7.574 0.364 -6.740 1.00 0.00 H new ATOM 0 HA ILE A 38 5.116 -0.656 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 38 6.173 2.197 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.826 0.767 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.964 1.531 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.760 2.427 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.809 2.130 -5.273 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.080 0.812 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.400 -0.822 -3.032 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.650 -0.527 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.525 -1.302 -4.506 1.00 0.00 H new ATOM 591 N HIS A 39 4.827 1.919 -8.069 1.00 0.00 N ATOM 592 CA HIS A 39 3.909 2.570 -8.991 1.00 0.00 C ATOM 593 C HIS A 39 3.736 1.795 -10.289 1.00 0.00 C ATOM 594 O HIS A 39 2.807 2.047 -11.052 1.00 0.00 O ATOM 595 CB HIS A 39 4.273 4.040 -9.254 1.00 0.00 C ATOM 596 CG HIS A 39 5.664 4.295 -9.754 1.00 0.00 C ATOM 597 ND1 HIS A 39 6.046 4.215 -11.077 1.00 0.00 N ATOM 598 CD2 HIS A 39 6.767 4.662 -9.072 1.00 0.00 C ATOM 599 CE1 HIS A 39 7.336 4.525 -11.152 1.00 0.00 C ATOM 600 NE2 HIS A 39 7.828 4.810 -9.958 1.00 0.00 N ATOM 0 H HIS A 39 5.734 2.377 -7.980 1.00 0.00 H new ATOM 0 HA HIS A 39 2.941 2.571 -8.490 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.568 4.444 -9.980 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.133 4.599 -8.329 1.00 0.00 H new ATOM 0 HD1 HIS A 39 5.444 3.962 -11.860 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.819 4.817 -8.004 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.908 4.542 -12.068 1.00 0.00 H new ATOM 608 N LYS A 40 4.640 0.888 -10.561 1.00 0.00 N ATOM 609 CA LYS A 40 4.531 0.054 -11.752 1.00 0.00 C ATOM 610 C LYS A 40 3.395 -0.936 -11.561 1.00 0.00 C ATOM 611 O LYS A 40 2.485 -1.015 -12.373 1.00 0.00 O ATOM 612 CB LYS A 40 5.832 -0.711 -12.013 1.00 0.00 C ATOM 613 CG LYS A 40 7.058 0.171 -12.076 1.00 0.00 C ATOM 614 CD LYS A 40 7.075 1.114 -13.277 1.00 0.00 C ATOM 615 CE LYS A 40 7.333 0.373 -14.580 1.00 0.00 C ATOM 616 NZ LYS A 40 7.309 1.276 -15.750 1.00 0.00 N ATOM 0 H LYS A 40 5.459 0.702 -9.983 1.00 0.00 H new ATOM 0 HA LYS A 40 4.335 0.697 -12.610 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.970 -1.453 -11.226 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.740 -1.256 -12.952 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.118 0.761 -11.161 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.947 -0.459 -12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.121 1.637 -13.340 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.845 1.872 -13.132 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.301 -0.125 -14.527 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.581 -0.405 -14.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.489 0.728 -16.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.377 1.732 -15.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.044 2.004 -15.642 1.00 0.00 H new ATOM 630 N ILE A 41 3.441 -1.645 -10.454 1.00 0.00 N ATOM 631 CA ILE A 41 2.467 -2.671 -10.155 1.00 0.00 C ATOM 632 C ILE A 41 1.163 -2.086 -9.608 1.00 0.00 C ATOM 633 O ILE A 41 0.079 -2.327 -10.151 1.00 0.00 O ATOM 634 CB ILE A 41 3.042 -3.691 -9.126 1.00 0.00 C ATOM 635 CG1 ILE A 41 4.308 -4.362 -9.687 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.991 -4.750 -8.755 1.00 0.00 C ATOM 637 CD1 ILE A 41 4.988 -5.310 -8.718 1.00 0.00 C ATOM 0 H ILE A 41 4.155 -1.526 -9.736 1.00 0.00 H new ATOM 0 HA ILE A 41 2.246 -3.178 -11.094 1.00 0.00 H new ATOM 0 HB ILE A 41 3.308 -3.147 -8.220 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.045 -4.911 -10.591 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.017 -3.588 -9.979 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.417 -5.449 -8.036 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.122 -4.261 -8.315 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.688 -5.291 -9.651 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.871 -5.741 -9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.285 -4.764 -7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.297 -6.108 -8.444 1.00 0.00 H new ATOM 649 N PHE A 42 1.269 -1.266 -8.584 1.00 0.00 N ATOM 650 CA PHE A 42 0.087 -0.828 -7.851 1.00 0.00 C ATOM 651 C PHE A 42 -0.783 0.185 -8.581 1.00 0.00 C ATOM 652 O PHE A 42 -1.875 0.516 -8.115 1.00 0.00 O ATOM 653 CB PHE A 42 0.446 -0.296 -6.503 1.00 0.00 C ATOM 654 CG PHE A 42 1.108 -1.251 -5.572 1.00 0.00 C ATOM 655 CD1 PHE A 42 0.763 -2.586 -5.509 1.00 0.00 C ATOM 656 CD2 PHE A 42 2.036 -0.777 -4.724 1.00 0.00 C ATOM 657 CE1 PHE A 42 1.371 -3.418 -4.585 1.00 0.00 C ATOM 658 CE2 PHE A 42 2.648 -1.560 -3.810 1.00 0.00 C ATOM 659 CZ PHE A 42 2.322 -2.898 -3.724 1.00 0.00 C ATOM 0 H PHE A 42 2.151 -0.889 -8.238 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.514 -1.732 -7.751 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.104 0.562 -6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.463 0.071 -6.027 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.017 -2.982 -6.182 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.302 0.268 -4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.106 -4.464 -4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.391 -1.140 -3.148 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.803 -3.532 -2.994 1.00 0.00 H new ATOM 669 N SER A 43 -0.334 0.659 -9.716 1.00 0.00 N ATOM 670 CA SER A 43 -1.095 1.602 -10.502 1.00 0.00 C ATOM 671 C SER A 43 -2.294 0.911 -11.152 1.00 0.00 C ATOM 672 O SER A 43 -3.245 1.543 -11.585 1.00 0.00 O ATOM 673 CB SER A 43 -0.195 2.182 -11.561 1.00 0.00 C ATOM 674 OG SER A 43 0.445 1.140 -12.287 1.00 0.00 O ATOM 0 H SER A 43 0.566 0.404 -10.122 1.00 0.00 H new ATOM 0 HA SER A 43 -1.471 2.396 -9.857 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.776 2.805 -12.241 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.553 2.826 -11.099 1.00 0.00 H new ATOM 0 HG SER A 43 1.402 1.134 -12.075 1.00 0.00 H new ATOM 680 N LYS A 44 -2.226 -0.394 -11.215 1.00 0.00 N ATOM 681 CA LYS A 44 -3.283 -1.195 -11.797 1.00 0.00 C ATOM 682 C LYS A 44 -4.369 -1.474 -10.756 1.00 0.00 C ATOM 683 O LYS A 44 -5.406 -2.067 -11.055 1.00 0.00 O ATOM 684 CB LYS A 44 -2.696 -2.509 -12.303 1.00 0.00 C ATOM 685 CG LYS A 44 -1.497 -2.399 -13.279 1.00 0.00 C ATOM 686 CD LYS A 44 -1.868 -1.973 -14.720 1.00 0.00 C ATOM 687 CE LYS A 44 -2.230 -0.494 -14.875 1.00 0.00 C ATOM 688 NZ LYS A 44 -1.112 0.417 -14.525 1.00 0.00 N ATOM 0 H LYS A 44 -1.436 -0.936 -10.865 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.731 -0.651 -12.629 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.381 -3.097 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.489 -3.069 -12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.783 -1.681 -12.876 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.990 -3.363 -13.320 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.029 -2.199 -15.379 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.710 -2.577 -15.058 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.535 -0.306 -15.904 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.088 -0.267 -14.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.374 1.395 -14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.914 0.348 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.263 0.147 -15.062 1.00 0.00 H new ATOM 702 N PHE A 45 -4.136 -1.032 -9.543 1.00 0.00 N ATOM 703 CA PHE A 45 -5.061 -1.261 -8.456 1.00 0.00 C ATOM 704 C PHE A 45 -5.556 0.057 -7.870 1.00 0.00 C ATOM 705 O PHE A 45 -6.089 0.096 -6.763 1.00 0.00 O ATOM 706 CB PHE A 45 -4.399 -2.123 -7.379 1.00 0.00 C ATOM 707 CG PHE A 45 -3.974 -3.485 -7.873 1.00 0.00 C ATOM 708 CD1 PHE A 45 -4.918 -4.450 -8.178 1.00 0.00 C ATOM 709 CD2 PHE A 45 -2.635 -3.795 -8.031 1.00 0.00 C ATOM 710 CE1 PHE A 45 -4.534 -5.694 -8.630 1.00 0.00 C ATOM 711 CE2 PHE A 45 -2.244 -5.038 -8.483 1.00 0.00 C ATOM 712 CZ PHE A 45 -3.197 -5.990 -8.783 1.00 0.00 C ATOM 0 H PHE A 45 -3.303 -0.505 -9.281 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.928 -1.794 -8.846 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.526 -1.598 -6.990 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.093 -2.247 -6.547 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.968 -4.226 -8.060 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.886 -3.053 -7.797 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.282 -6.437 -8.864 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.195 -5.266 -8.602 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.896 -6.965 -9.137 1.00 0.00 H new ATOM 722 N GLY A 46 -5.401 1.118 -8.629 1.00 0.00 N ATOM 723 CA GLY A 46 -5.840 2.422 -8.195 1.00 0.00 C ATOM 724 C GLY A 46 -4.829 3.462 -8.574 1.00 0.00 C ATOM 725 O GLY A 46 -3.850 3.150 -9.269 1.00 0.00 O ATOM 0 H GLY A 46 -4.972 1.102 -9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.803 2.659 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.986 2.423 -7.115 1.00 0.00 H new ATOM 729 N LYS A 47 -5.034 4.685 -8.159 1.00 0.00 N ATOM 730 CA LYS A 47 -4.083 5.708 -8.472 1.00 0.00 C ATOM 731 C LYS A 47 -3.233 5.961 -7.266 1.00 0.00 C ATOM 732 O LYS A 47 -3.749 6.027 -6.166 1.00 0.00 O ATOM 733 CB LYS A 47 -4.773 6.990 -8.887 1.00 0.00 C ATOM 734 CG LYS A 47 -3.808 8.061 -9.367 1.00 0.00 C ATOM 735 CD LYS A 47 -3.107 7.662 -10.661 1.00 0.00 C ATOM 736 CE LYS A 47 -4.090 7.516 -11.813 1.00 0.00 C ATOM 737 NZ LYS A 47 -3.428 7.067 -13.046 1.00 0.00 N ATOM 0 H LYS A 47 -5.839 4.990 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.468 5.373 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.486 6.770 -9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.345 7.377 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.350 8.994 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.063 8.250 -8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.358 8.412 -10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.578 6.721 -10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.868 6.803 -11.538 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.583 8.472 -11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.132 6.980 -13.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.703 7.760 -13.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.979 6.143 -12.882 1.00 0.00 H new ATOM 751 N ILE A 48 -1.946 6.135 -7.468 1.00 0.00 N ATOM 752 CA ILE A 48 -1.029 6.333 -6.367 1.00 0.00 C ATOM 753 C ILE A 48 -1.184 7.758 -5.839 1.00 0.00 C ATOM 754 O ILE A 48 -0.561 8.694 -6.341 1.00 0.00 O ATOM 755 CB ILE A 48 0.460 6.123 -6.777 1.00 0.00 C ATOM 756 CG1 ILE A 48 0.675 4.801 -7.571 1.00 0.00 C ATOM 757 CG2 ILE A 48 1.345 6.143 -5.523 1.00 0.00 C ATOM 758 CD1 ILE A 48 0.394 3.530 -6.799 1.00 0.00 C ATOM 0 H ILE A 48 -1.509 6.143 -8.389 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.275 5.592 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 48 0.741 6.940 -7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.036 4.819 -8.454 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.706 4.772 -7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.386 5.996 -5.810 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.240 7.104 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.038 5.344 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.574 2.667 -7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.051 3.479 -5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.645 3.527 -6.469 1.00 0.00 H new ATOM 770 N THR A 49 -2.077 7.929 -4.907 1.00 0.00 N ATOM 771 CA THR A 49 -2.300 9.203 -4.303 1.00 0.00 C ATOM 772 C THR A 49 -1.260 9.448 -3.204 1.00 0.00 C ATOM 773 O THR A 49 -0.504 10.424 -3.253 1.00 0.00 O ATOM 774 CB THR A 49 -3.742 9.282 -3.767 1.00 0.00 C ATOM 775 OG1 THR A 49 -4.637 8.944 -4.851 1.00 0.00 O ATOM 776 CG2 THR A 49 -4.067 10.688 -3.276 1.00 0.00 C ATOM 0 H THR A 49 -2.671 7.183 -4.546 1.00 0.00 H new ATOM 0 HA THR A 49 -2.183 9.992 -5.046 1.00 0.00 H new ATOM 0 HB THR A 49 -3.854 8.594 -2.929 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.564 8.985 -4.535 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.091 10.716 -2.903 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.381 10.961 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.962 11.394 -4.099 1.00 0.00 H new ATOM 784 N ASN A 50 -1.175 8.540 -2.265 1.00 0.00 N ATOM 785 CA ASN A 50 -0.225 8.645 -1.181 1.00 0.00 C ATOM 786 C ASN A 50 0.396 7.293 -0.956 1.00 0.00 C ATOM 787 O ASN A 50 -0.261 6.262 -1.134 1.00 0.00 O ATOM 788 CB ASN A 50 -0.878 9.158 0.127 1.00 0.00 C ATOM 789 CG ASN A 50 -1.411 10.578 0.044 1.00 0.00 C ATOM 790 OD1 ASN A 50 -2.578 10.794 -0.292 1.00 0.00 O ATOM 791 ND2 ASN A 50 -0.580 11.546 0.350 1.00 0.00 N ATOM 0 H ASN A 50 -1.761 7.706 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 50 0.535 9.375 -1.459 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.696 8.490 0.397 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.144 9.104 0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.892 12.516 0.314 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.378 11.328 0.623 1.00 0.00 H new ATOM 798 N ASP A 51 1.635 7.288 -0.588 1.00 0.00 N ATOM 799 CA ASP A 51 2.381 6.067 -0.383 1.00 0.00 C ATOM 800 C ASP A 51 3.197 6.194 0.858 1.00 0.00 C ATOM 801 O ASP A 51 3.798 7.240 1.117 1.00 0.00 O ATOM 802 CB ASP A 51 3.269 5.730 -1.596 1.00 0.00 C ATOM 803 CG ASP A 51 4.246 6.832 -1.971 1.00 0.00 C ATOM 804 OD1 ASP A 51 3.820 7.864 -2.576 1.00 0.00 O ATOM 805 OD2 ASP A 51 5.439 6.714 -1.662 1.00 0.00 O ATOM 0 H ASP A 51 2.174 8.137 -0.416 1.00 0.00 H new ATOM 0 HA ASP A 51 1.677 5.243 -0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.829 4.819 -1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.630 5.517 -2.453 1.00 0.00 H new ATOM 810 N PHE A 52 3.181 5.163 1.641 1.00 0.00 N ATOM 811 CA PHE A 52 3.861 5.152 2.908 1.00 0.00 C ATOM 812 C PHE A 52 4.740 3.938 2.992 1.00 0.00 C ATOM 813 O PHE A 52 4.251 2.793 3.039 1.00 0.00 O ATOM 814 CB PHE A 52 2.851 5.144 4.068 1.00 0.00 C ATOM 815 CG PHE A 52 1.893 6.298 4.052 1.00 0.00 C ATOM 816 CD1 PHE A 52 2.307 7.560 4.427 1.00 0.00 C ATOM 817 CD2 PHE A 52 0.575 6.116 3.658 1.00 0.00 C ATOM 818 CE1 PHE A 52 1.431 8.624 4.407 1.00 0.00 C ATOM 819 CE2 PHE A 52 -0.304 7.178 3.639 1.00 0.00 C ATOM 820 CZ PHE A 52 0.123 8.432 4.013 1.00 0.00 C ATOM 0 H PHE A 52 2.693 4.295 1.422 1.00 0.00 H new ATOM 0 HA PHE A 52 4.469 6.053 2.987 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.284 4.214 4.036 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.397 5.152 5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.329 7.716 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.235 5.134 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.768 9.607 4.700 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.328 7.026 3.331 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.565 9.264 3.998 1.00 0.00 H new ATOM 830 N TYR A 53 6.022 4.153 2.964 1.00 0.00 N ATOM 831 CA TYR A 53 6.930 3.059 3.065 1.00 0.00 C ATOM 832 C TYR A 53 7.549 3.075 4.445 1.00 0.00 C ATOM 833 O TYR A 53 8.356 3.957 4.755 1.00 0.00 O ATOM 834 CB TYR A 53 8.049 3.118 2.014 1.00 0.00 C ATOM 835 CG TYR A 53 7.607 3.369 0.579 1.00 0.00 C ATOM 836 CD1 TYR A 53 6.425 2.837 0.067 1.00 0.00 C ATOM 837 CD2 TYR A 53 8.397 4.136 -0.265 1.00 0.00 C ATOM 838 CE1 TYR A 53 6.049 3.071 -1.240 1.00 0.00 C ATOM 839 CE2 TYR A 53 8.029 4.376 -1.567 1.00 0.00 C ATOM 840 CZ TYR A 53 6.860 3.847 -2.054 1.00 0.00 C ATOM 841 OH TYR A 53 6.509 4.085 -3.359 1.00 0.00 O ATOM 0 H TYR A 53 6.457 5.071 2.873 1.00 0.00 H new ATOM 0 HA TYR A 53 6.368 2.142 2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.748 3.904 2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.598 2.177 2.044 1.00 0.00 H new ATOM 0 HD1 TYR A 53 5.794 2.233 0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 53 9.320 4.553 0.109 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.131 2.653 -1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.658 4.979 -2.205 1.00 0.00 H new ATOM 0 HH TYR A 53 7.190 4.648 -3.783 1.00 0.00 H new ATOM 851 N PRO A 54 7.149 2.161 5.317 1.00 0.00 N ATOM 852 CA PRO A 54 7.735 2.043 6.629 1.00 0.00 C ATOM 853 C PRO A 54 9.049 1.273 6.543 1.00 0.00 C ATOM 854 O PRO A 54 9.408 0.762 5.469 1.00 0.00 O ATOM 855 CB PRO A 54 6.697 1.267 7.428 1.00 0.00 C ATOM 856 CG PRO A 54 5.937 0.473 6.423 1.00 0.00 C ATOM 857 CD PRO A 54 6.091 1.163 5.094 1.00 0.00 C ATOM 0 HA PRO A 54 7.969 3.005 7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.172 0.618 8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.038 1.941 7.976 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.318 -0.547 6.372 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.885 0.407 6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.369 0.458 4.311 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.160 1.635 4.782 1.00 0.00 H new ATOM 865 N GLU A 55 9.757 1.193 7.619 1.00 0.00 N ATOM 866 CA GLU A 55 11.031 0.522 7.642 1.00 0.00 C ATOM 867 C GLU A 55 11.198 -0.064 9.015 1.00 0.00 C ATOM 868 O GLU A 55 10.437 0.280 9.926 1.00 0.00 O ATOM 869 CB GLU A 55 12.155 1.535 7.365 1.00 0.00 C ATOM 870 CG GLU A 55 12.356 2.508 8.506 1.00 0.00 C ATOM 871 CD GLU A 55 13.220 3.696 8.161 1.00 0.00 C ATOM 872 OE1 GLU A 55 12.748 4.583 7.416 1.00 0.00 O ATOM 873 OE2 GLU A 55 14.353 3.803 8.677 1.00 0.00 O ATOM 0 H GLU A 55 9.475 1.590 8.515 1.00 0.00 H new ATOM 0 HA GLU A 55 11.076 -0.257 6.881 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.086 0.998 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.923 2.090 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.382 2.866 8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.805 1.978 9.346 1.00 0.00 H new ATOM 880 N GLU A 56 12.189 -0.880 9.189 1.00 0.00 N ATOM 881 CA GLU A 56 12.422 -1.471 10.474 1.00 0.00 C ATOM 882 C GLU A 56 13.791 -1.063 10.899 1.00 0.00 C ATOM 883 O GLU A 56 14.775 -1.651 10.452 1.00 0.00 O ATOM 884 CB GLU A 56 12.348 -3.005 10.383 1.00 0.00 C ATOM 885 CG GLU A 56 11.000 -3.553 9.940 1.00 0.00 C ATOM 886 CD GLU A 56 9.891 -3.220 10.909 1.00 0.00 C ATOM 887 OE1 GLU A 56 9.681 -3.978 11.868 1.00 0.00 O ATOM 888 OE2 GLU A 56 9.224 -2.198 10.742 1.00 0.00 O ATOM 0 H GLU A 56 12.850 -1.153 8.462 1.00 0.00 H new ATOM 0 HA GLU A 56 11.668 -1.140 11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.112 -3.351 9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.592 -3.425 11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.753 -3.149 8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.070 -4.635 9.831 1.00 0.00 H new ATOM 895 N ASP A 57 13.841 -0.055 11.754 1.00 0.00 N ATOM 896 CA ASP A 57 15.073 0.556 12.264 1.00 0.00 C ATOM 897 C ASP A 57 16.133 0.678 11.171 1.00 0.00 C ATOM 898 O ASP A 57 17.179 0.035 11.203 1.00 0.00 O ATOM 899 CB ASP A 57 15.591 -0.127 13.539 1.00 0.00 C ATOM 900 CG ASP A 57 16.834 0.525 14.096 1.00 0.00 C ATOM 901 OD1 ASP A 57 16.822 1.749 14.344 1.00 0.00 O ATOM 902 OD2 ASP A 57 17.845 -0.178 14.281 1.00 0.00 O ATOM 0 H ASP A 57 12.999 0.381 12.130 1.00 0.00 H new ATOM 0 HA ASP A 57 14.824 1.573 12.568 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.808 -0.110 14.297 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.803 -1.174 13.323 1.00 0.00 H new ATOM 907 N GLY A 58 15.721 1.352 10.111 1.00 0.00 N ATOM 908 CA GLY A 58 16.588 1.647 8.966 1.00 0.00 C ATOM 909 C GLY A 58 16.878 0.467 8.053 1.00 0.00 C ATOM 910 O GLY A 58 17.548 0.617 7.030 1.00 0.00 O ATOM 0 H GLY A 58 14.773 1.715 10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.126 2.438 8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 58 17.534 2.039 9.339 1.00 0.00 H new ATOM 914 N LYS A 59 16.392 -0.683 8.401 1.00 0.00 N ATOM 915 CA LYS A 59 16.655 -1.885 7.648 1.00 0.00 C ATOM 916 C LYS A 59 15.497 -2.224 6.749 1.00 0.00 C ATOM 917 O LYS A 59 14.492 -1.479 6.686 1.00 0.00 O ATOM 918 CB LYS A 59 16.899 -3.054 8.584 1.00 0.00 C ATOM 919 CG LYS A 59 18.086 -2.900 9.495 1.00 0.00 C ATOM 920 CD LYS A 59 18.196 -4.073 10.466 1.00 0.00 C ATOM 921 CE LYS A 59 16.980 -4.163 11.393 1.00 0.00 C ATOM 922 NZ LYS A 59 16.825 -2.951 12.222 1.00 0.00 N ATOM 0 H LYS A 59 15.798 -0.823 9.218 1.00 0.00 H new ATOM 0 HA LYS A 59 17.542 -1.703 7.041 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.008 -3.204 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.032 -3.956 7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.997 -2.831 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.999 -1.969 10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.293 -5.002 9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 59 19.101 -3.966 11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.080 -4.312 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.081 -5.034 12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.604 -3.226 13.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.710 -2.405 12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.052 -2.368 11.843 1.00 0.00 H new ATOM 936 N THR A 60 15.653 -3.345 6.070 1.00 0.00 N ATOM 937 CA THR A 60 14.695 -3.932 5.181 1.00 0.00 C ATOM 938 C THR A 60 13.281 -3.940 5.795 1.00 0.00 C ATOM 939 O THR A 60 13.080 -4.344 6.954 1.00 0.00 O ATOM 940 CB THR A 60 15.144 -5.376 4.914 1.00 0.00 C ATOM 941 OG1 THR A 60 16.531 -5.356 4.541 1.00 0.00 O ATOM 942 CG2 THR A 60 14.340 -6.007 3.798 1.00 0.00 C ATOM 0 H THR A 60 16.509 -3.896 6.136 1.00 0.00 H new ATOM 0 HA THR A 60 14.647 -3.349 4.261 1.00 0.00 H new ATOM 0 HB THR A 60 14.988 -5.966 5.817 1.00 0.00 H new ATOM 0 HG1 THR A 60 16.836 -6.271 4.368 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.683 -7.029 3.635 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.285 -6.018 4.071 1.00 0.00 H new ATOM 0 HG23 THR A 60 14.472 -5.429 2.883 1.00 0.00 H new ATOM 950 N LYS A 61 12.341 -3.448 5.035 1.00 0.00 N ATOM 951 CA LYS A 61 10.969 -3.411 5.440 1.00 0.00 C ATOM 952 C LYS A 61 10.307 -4.718 5.017 1.00 0.00 C ATOM 953 O LYS A 61 10.815 -5.417 4.137 1.00 0.00 O ATOM 954 CB LYS A 61 10.260 -2.212 4.786 1.00 0.00 C ATOM 955 CG LYS A 61 10.139 -2.305 3.264 1.00 0.00 C ATOM 956 CD LYS A 61 9.459 -1.078 2.648 1.00 0.00 C ATOM 957 CE LYS A 61 10.434 0.041 2.269 1.00 0.00 C ATOM 958 NZ LYS A 61 11.129 0.645 3.424 1.00 0.00 N ATOM 0 H LYS A 61 12.512 -3.058 4.108 1.00 0.00 H new ATOM 0 HA LYS A 61 10.899 -3.297 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.261 -2.118 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.802 -1.301 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.133 -2.420 2.831 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.572 -3.199 3.003 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.910 -1.386 1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.727 -0.686 3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.177 -0.356 1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.888 0.821 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.553 1.551 3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.448 0.808 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.876 0.002 3.755 1.00 0.00 H new ATOM 972 N GLY A 62 9.205 -5.044 5.621 1.00 0.00 N ATOM 973 CA GLY A 62 8.532 -6.270 5.272 1.00 0.00 C ATOM 974 C GLY A 62 7.067 -6.052 5.121 1.00 0.00 C ATOM 975 O GLY A 62 6.278 -6.976 5.272 1.00 0.00 O ATOM 0 H GLY A 62 8.753 -4.491 6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.942 -6.662 4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.714 -7.020 6.041 1.00 0.00 H new ATOM 979 N TYR A 63 6.705 -4.809 4.889 1.00 0.00 N ATOM 980 CA TYR A 63 5.331 -4.389 4.708 1.00 0.00 C ATOM 981 C TYR A 63 5.329 -2.951 4.241 1.00 0.00 C ATOM 982 O TYR A 63 6.267 -2.210 4.565 1.00 0.00 O ATOM 983 CB TYR A 63 4.502 -4.564 6.015 1.00 0.00 C ATOM 984 CG TYR A 63 5.084 -3.898 7.255 1.00 0.00 C ATOM 985 CD1 TYR A 63 6.067 -4.529 8.013 1.00 0.00 C ATOM 986 CD2 TYR A 63 4.639 -2.663 7.672 1.00 0.00 C ATOM 987 CE1 TYR A 63 6.585 -3.942 9.145 1.00 0.00 C ATOM 988 CE2 TYR A 63 5.156 -2.063 8.805 1.00 0.00 C ATOM 989 CZ TYR A 63 6.126 -2.708 9.536 1.00 0.00 C ATOM 990 OH TYR A 63 6.641 -2.112 10.663 1.00 0.00 O ATOM 0 H TYR A 63 7.374 -4.043 4.819 1.00 0.00 H new ATOM 0 HA TYR A 63 4.855 -5.018 3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 63 3.501 -4.166 5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.391 -5.630 6.214 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.430 -5.499 7.706 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.873 -2.155 7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.346 -4.447 9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.800 -1.092 9.115 1.00 0.00 H new ATOM 0 HH TYR A 63 7.609 -1.999 10.560 1.00 0.00 H new ATOM 1000 N ILE A 64 4.352 -2.572 3.437 1.00 0.00 N ATOM 1001 CA ILE A 64 4.186 -1.179 3.006 1.00 0.00 C ATOM 1002 C ILE A 64 2.708 -0.869 2.978 1.00 0.00 C ATOM 1003 O ILE A 64 1.881 -1.798 3.028 1.00 0.00 O ATOM 1004 CB ILE A 64 4.789 -0.850 1.593 1.00 0.00 C ATOM 1005 CG1 ILE A 64 4.010 -1.539 0.490 1.00 0.00 C ATOM 1006 CG2 ILE A 64 6.246 -1.255 1.504 1.00 0.00 C ATOM 1007 CD1 ILE A 64 4.533 -1.277 -0.892 1.00 0.00 C ATOM 0 H ILE A 64 3.651 -3.210 3.061 1.00 0.00 H new ATOM 0 HA ILE A 64 4.737 -0.567 3.720 1.00 0.00 H new ATOM 0 HB ILE A 64 4.715 0.230 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.019 -2.614 0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.970 -1.216 0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.631 -1.013 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.820 -0.716 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.337 -2.327 1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.919 -1.807 -1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.498 -0.207 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.563 -1.626 -0.964 1.00 0.00 H new ATOM 1019 N PHE A 65 2.373 0.402 2.889 1.00 0.00 N ATOM 1020 CA PHE A 65 0.995 0.835 2.873 1.00 0.00 C ATOM 1021 C PHE A 65 0.823 1.887 1.819 1.00 0.00 C ATOM 1022 O PHE A 65 1.643 2.795 1.689 1.00 0.00 O ATOM 1023 CB PHE A 65 0.586 1.428 4.232 1.00 0.00 C ATOM 1024 CG PHE A 65 0.796 0.516 5.400 1.00 0.00 C ATOM 1025 CD1 PHE A 65 -0.162 -0.412 5.750 1.00 0.00 C ATOM 1026 CD2 PHE A 65 1.957 0.592 6.149 1.00 0.00 C ATOM 1027 CE1 PHE A 65 0.030 -1.253 6.829 1.00 0.00 C ATOM 1028 CE2 PHE A 65 2.156 -0.241 7.225 1.00 0.00 C ATOM 1029 CZ PHE A 65 1.188 -1.167 7.568 1.00 0.00 C ATOM 0 H PHE A 65 3.050 1.162 2.826 1.00 0.00 H new ATOM 0 HA PHE A 65 0.366 -0.030 2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.151 2.345 4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.467 1.706 4.190 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.073 -0.482 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.716 1.314 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.727 -1.977 7.092 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.067 -0.172 7.801 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.340 -1.821 8.414 1.00 0.00 H new ATOM 1039 N LEU A 66 -0.198 1.756 1.059 1.00 0.00 N ATOM 1040 CA LEU A 66 -0.520 2.735 0.080 1.00 0.00 C ATOM 1041 C LEU A 66 -1.896 3.270 0.373 1.00 0.00 C ATOM 1042 O LEU A 66 -2.746 2.531 0.849 1.00 0.00 O ATOM 1043 CB LEU A 66 -0.441 2.180 -1.340 1.00 0.00 C ATOM 1044 CG LEU A 66 0.918 1.712 -1.846 1.00 0.00 C ATOM 1045 CD1 LEU A 66 1.130 0.260 -1.513 1.00 0.00 C ATOM 1046 CD2 LEU A 66 1.031 2.003 -3.326 1.00 0.00 C ATOM 0 H LEU A 66 -0.840 0.964 1.095 1.00 0.00 H new ATOM 0 HA LEU A 66 0.214 3.539 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.132 1.340 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.805 2.949 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 66 1.715 2.261 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.105 -0.059 -1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.088 0.125 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.351 -0.339 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.003 1.669 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.242 1.475 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.930 3.075 -3.495 1.00 0.00 H new ATOM 1058 N GLU A 67 -2.101 4.528 0.113 1.00 0.00 N ATOM 1059 CA GLU A 67 -3.346 5.204 0.416 1.00 0.00 C ATOM 1060 C GLU A 67 -3.879 5.830 -0.871 1.00 0.00 C ATOM 1061 O GLU A 67 -3.214 6.688 -1.483 1.00 0.00 O ATOM 1062 CB GLU A 67 -3.049 6.283 1.465 1.00 0.00 C ATOM 1063 CG GLU A 67 -4.230 7.113 1.963 1.00 0.00 C ATOM 1064 CD GLU A 67 -5.168 6.344 2.859 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -4.840 6.148 4.055 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -6.254 5.969 2.412 1.00 0.00 O ATOM 0 H GLU A 67 -1.402 5.130 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.095 4.516 0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.588 5.800 2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.308 6.965 1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.852 7.980 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.787 7.490 1.105 1.00 0.00 H new ATOM 1073 N TYR A 68 -5.022 5.373 -1.321 1.00 0.00 N ATOM 1074 CA TYR A 68 -5.607 5.883 -2.550 1.00 0.00 C ATOM 1075 C TYR A 68 -6.947 6.522 -2.250 1.00 0.00 C ATOM 1076 O TYR A 68 -7.472 6.390 -1.156 1.00 0.00 O ATOM 1077 CB TYR A 68 -5.845 4.780 -3.589 1.00 0.00 C ATOM 1078 CG TYR A 68 -4.660 3.931 -4.015 1.00 0.00 C ATOM 1079 CD1 TYR A 68 -3.342 4.303 -3.788 1.00 0.00 C ATOM 1080 CD2 TYR A 68 -4.887 2.744 -4.668 1.00 0.00 C ATOM 1081 CE1 TYR A 68 -2.310 3.500 -4.203 1.00 0.00 C ATOM 1082 CE2 TYR A 68 -3.874 1.946 -5.079 1.00 0.00 C ATOM 1083 CZ TYR A 68 -2.596 2.319 -4.852 1.00 0.00 C ATOM 1084 OH TYR A 68 -1.599 1.514 -5.269 1.00 0.00 O ATOM 0 H TYR A 68 -5.571 4.648 -0.859 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.898 6.604 -2.957 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.610 4.111 -3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.259 5.247 -4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.127 5.232 -3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.905 2.438 -4.859 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.285 3.790 -4.023 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.086 1.016 -5.586 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.798 1.187 -6.171 1.00 0.00 H new ATOM 1094 N ALA A 69 -7.506 7.172 -3.235 1.00 0.00 N ATOM 1095 CA ALA A 69 -8.798 7.833 -3.117 1.00 0.00 C ATOM 1096 C ALA A 69 -9.776 7.209 -4.109 1.00 0.00 C ATOM 1097 O ALA A 69 -10.858 7.747 -4.379 1.00 0.00 O ATOM 1098 CB ALA A 69 -8.626 9.311 -3.419 1.00 0.00 C ATOM 0 H ALA A 69 -7.080 7.264 -4.157 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.189 7.713 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.589 9.814 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.923 9.748 -2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.242 9.433 -4.432 1.00 0.00 H new ATOM 1104 N SER A 70 -9.386 6.072 -4.624 1.00 0.00 N ATOM 1105 CA SER A 70 -10.063 5.414 -5.713 1.00 0.00 C ATOM 1106 C SER A 70 -11.433 4.673 -5.314 1.00 0.00 C ATOM 1107 O SER A 70 -11.688 4.370 -4.138 1.00 0.00 O ATOM 1108 CB SER A 70 -9.044 4.467 -6.372 1.00 0.00 C ATOM 1109 OG SER A 70 -7.826 5.152 -6.666 1.00 0.00 O ATOM 0 H SER A 70 -8.567 5.564 -4.289 1.00 0.00 H new ATOM 0 HA SER A 70 -10.405 6.172 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.842 3.626 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.465 4.055 -7.289 1.00 0.00 H new ATOM 0 HG SER A 70 -7.808 5.395 -7.615 1.00 0.00 H new ATOM 1115 N PRO A 71 -12.286 4.421 -6.361 1.00 0.00 N ATOM 1116 CA PRO A 71 -13.658 3.767 -6.367 1.00 0.00 C ATOM 1117 C PRO A 71 -14.039 2.523 -5.495 1.00 0.00 C ATOM 1118 O PRO A 71 -15.167 2.056 -5.695 1.00 0.00 O ATOM 1119 CB PRO A 71 -13.890 3.456 -7.834 1.00 0.00 C ATOM 1120 CG PRO A 71 -13.257 4.587 -8.512 1.00 0.00 C ATOM 1121 CD PRO A 71 -11.970 4.800 -7.779 1.00 0.00 C ATOM 0 HA PRO A 71 -14.298 4.485 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.437 2.507 -8.122 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.952 3.387 -8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.081 4.369 -9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.887 5.476 -8.472 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.172 4.181 -8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.638 5.836 -7.850 1.00 0.00 H new ATOM 1129 N ALA A 72 -13.209 2.016 -4.545 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.249 0.621 -4.074 1.00 0.00 C ATOM 1131 C ALA A 72 -12.385 -0.155 -4.983 1.00 0.00 C ATOM 1132 O ALA A 72 -12.796 -0.847 -5.910 1.00 0.00 O ATOM 1133 CB ALA A 72 -14.642 -0.006 -3.836 1.00 0.00 C ATOM 0 H ALA A 72 -12.490 2.576 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.872 0.601 -3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.525 -1.034 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -15.176 0.571 -3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.209 0.002 -4.767 1.00 0.00 H new ATOM 1139 N HIS A 73 -11.143 0.224 -4.828 1.00 0.00 N ATOM 1140 CA HIS A 73 -10.027 -0.232 -5.594 1.00 0.00 C ATOM 1141 C HIS A 73 -9.295 -1.356 -4.860 1.00 0.00 C ATOM 1142 O HIS A 73 -8.830 -2.311 -5.484 1.00 0.00 O ATOM 1143 CB HIS A 73 -9.057 0.947 -5.808 1.00 0.00 C ATOM 1144 CG HIS A 73 -8.548 1.555 -4.511 1.00 0.00 C ATOM 1145 ND1 HIS A 73 -7.422 1.130 -3.863 1.00 0.00 N ATOM 1146 CD2 HIS A 73 -9.083 2.519 -3.726 1.00 0.00 C ATOM 1147 CE1 HIS A 73 -7.315 1.824 -2.729 1.00 0.00 C ATOM 1148 NE2 HIS A 73 -8.303 2.687 -2.607 1.00 0.00 N ATOM 0 H HIS A 73 -10.874 0.903 -4.116 1.00 0.00 H new ATOM 0 HA HIS A 73 -10.383 -0.613 -6.551 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.207 0.605 -6.398 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -9.559 1.720 -6.390 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.778 0.410 -4.189 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -9.985 3.072 -3.945 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.523 1.695 -2.006 1.00 0.00 H new ATOM 1156 N ALA A 74 -9.204 -1.266 -3.530 1.00 0.00 N ATOM 1157 CA ALA A 74 -8.482 -2.267 -2.798 1.00 0.00 C ATOM 1158 C ALA A 74 -9.344 -3.448 -2.610 1.00 0.00 C ATOM 1159 O ALA A 74 -8.865 -4.536 -2.406 1.00 0.00 O ATOM 1160 CB ALA A 74 -7.916 -1.759 -1.496 1.00 0.00 C ATOM 0 H ALA A 74 -9.616 -0.523 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.610 -2.553 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.382 -2.565 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.228 -0.937 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.728 -1.407 -0.859 1.00 0.00 H new ATOM 1166 N VAL A 75 -10.627 -3.238 -2.723 1.00 0.00 N ATOM 1167 CA VAL A 75 -11.566 -4.315 -2.725 1.00 0.00 C ATOM 1168 C VAL A 75 -11.223 -5.264 -3.925 1.00 0.00 C ATOM 1169 O VAL A 75 -11.418 -6.476 -3.858 1.00 0.00 O ATOM 1170 CB VAL A 75 -13.041 -3.767 -2.805 1.00 0.00 C ATOM 1171 CG1 VAL A 75 -13.413 -3.313 -4.198 1.00 0.00 C ATOM 1172 CG2 VAL A 75 -14.053 -4.744 -2.232 1.00 0.00 C ATOM 0 H VAL A 75 -11.047 -2.313 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.497 -4.881 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 75 -13.072 -2.880 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.439 -2.945 -4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.740 -2.515 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -13.328 -4.152 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -15.054 -4.319 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -14.011 -5.680 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -13.821 -4.935 -1.184 1.00 0.00 H new ATOM 1182 N ASP A 76 -10.665 -4.682 -4.992 1.00 0.00 N ATOM 1183 CA ASP A 76 -10.176 -5.439 -6.136 1.00 0.00 C ATOM 1184 C ASP A 76 -8.765 -5.937 -5.834 1.00 0.00 C ATOM 1185 O ASP A 76 -8.462 -7.128 -5.961 1.00 0.00 O ATOM 1186 CB ASP A 76 -10.156 -4.564 -7.399 1.00 0.00 C ATOM 1187 CG ASP A 76 -9.703 -5.319 -8.633 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -10.555 -5.904 -9.324 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -8.485 -5.337 -8.942 1.00 0.00 O ATOM 0 H ASP A 76 -10.542 -3.673 -5.081 1.00 0.00 H new ATOM 0 HA ASP A 76 -10.842 -6.283 -6.315 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.154 -4.161 -7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.493 -3.714 -7.236 1.00 0.00 H new ATOM 1194 N ALA A 77 -7.927 -5.013 -5.375 1.00 0.00 N ATOM 1195 CA ALA A 77 -6.515 -5.269 -5.067 1.00 0.00 C ATOM 1196 C ALA A 77 -6.309 -6.407 -4.078 1.00 0.00 C ATOM 1197 O ALA A 77 -5.452 -7.249 -4.274 1.00 0.00 O ATOM 1198 CB ALA A 77 -5.844 -4.013 -4.543 1.00 0.00 C ATOM 0 H ALA A 77 -8.210 -4.048 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.055 -5.573 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.798 -4.225 -4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.903 -3.228 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.348 -3.683 -3.635 1.00 0.00 H new ATOM 1204 N VAL A 78 -7.121 -6.452 -3.043 1.00 0.00 N ATOM 1205 CA VAL A 78 -7.013 -7.425 -2.010 1.00 0.00 C ATOM 1206 C VAL A 78 -7.335 -8.840 -2.529 1.00 0.00 C ATOM 1207 O VAL A 78 -6.920 -9.837 -1.951 1.00 0.00 O ATOM 1208 CB VAL A 78 -7.890 -6.978 -0.793 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -8.081 -8.056 0.205 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -7.265 -5.771 -0.109 1.00 0.00 C ATOM 0 H VAL A 78 -7.887 -5.793 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.982 -7.487 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.870 -6.722 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.697 -7.687 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.575 -8.905 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.111 -8.370 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.885 -5.470 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.268 -6.030 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.194 -4.947 -0.819 1.00 0.00 H new ATOM 1220 N LYS A 79 -8.070 -8.914 -3.604 1.00 0.00 N ATOM 1221 CA LYS A 79 -8.324 -10.179 -4.238 1.00 0.00 C ATOM 1222 C LYS A 79 -7.194 -10.510 -5.197 1.00 0.00 C ATOM 1223 O LYS A 79 -6.598 -11.585 -5.160 1.00 0.00 O ATOM 1224 CB LYS A 79 -9.628 -10.134 -5.017 1.00 0.00 C ATOM 1225 CG LYS A 79 -10.042 -11.491 -5.560 1.00 0.00 C ATOM 1226 CD LYS A 79 -11.375 -11.422 -6.254 1.00 0.00 C ATOM 1227 CE LYS A 79 -11.305 -10.605 -7.529 1.00 0.00 C ATOM 1228 NZ LYS A 79 -12.626 -10.462 -8.160 1.00 0.00 N ATOM 0 H LYS A 79 -8.505 -8.112 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.393 -10.942 -3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.418 -9.751 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.526 -9.433 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.286 -11.852 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.092 -12.211 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.716 -12.431 -6.487 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.112 -10.984 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.900 -9.618 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.618 -11.081 -8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.507 -10.226 -9.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.150 -11.356 -8.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.156 -9.703 -7.687 1.00 0.00 H new ATOM 1242 N ASN A 80 -6.858 -9.530 -5.987 1.00 0.00 N ATOM 1243 CA ASN A 80 -5.998 -9.708 -7.148 1.00 0.00 C ATOM 1244 C ASN A 80 -4.516 -9.621 -6.878 1.00 0.00 C ATOM 1245 O ASN A 80 -3.723 -9.950 -7.747 1.00 0.00 O ATOM 1246 CB ASN A 80 -6.412 -8.745 -8.248 1.00 0.00 C ATOM 1247 CG ASN A 80 -7.741 -9.123 -8.859 1.00 0.00 C ATOM 1248 OD1 ASN A 80 -8.061 -10.296 -8.997 1.00 0.00 O ATOM 1249 ND2 ASN A 80 -8.542 -8.159 -9.170 1.00 0.00 N ATOM 0 H ASN A 80 -7.172 -8.569 -5.851 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.149 -10.739 -7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.473 -7.735 -7.842 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.647 -8.730 -9.024 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.469 -8.366 -9.542 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.248 -7.191 -9.044 1.00 0.00 H new ATOM 1256 N ALA A 81 -4.129 -9.173 -5.718 1.00 0.00 N ATOM 1257 CA ALA A 81 -2.717 -9.121 -5.375 1.00 0.00 C ATOM 1258 C ALA A 81 -2.435 -10.003 -4.173 1.00 0.00 C ATOM 1259 O ALA A 81 -1.358 -9.966 -3.601 1.00 0.00 O ATOM 1260 CB ALA A 81 -2.279 -7.685 -5.108 1.00 0.00 C ATOM 0 H ALA A 81 -4.760 -8.838 -4.990 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.141 -9.496 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.219 -7.669 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.447 -7.082 -6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.857 -7.276 -4.280 1.00 0.00 H new ATOM 1266 N ASP A 82 -3.395 -10.835 -3.840 1.00 0.00 N ATOM 1267 CA ASP A 82 -3.312 -11.692 -2.661 1.00 0.00 C ATOM 1268 C ASP A 82 -2.450 -12.924 -2.868 1.00 0.00 C ATOM 1269 O ASP A 82 -2.813 -13.843 -3.610 1.00 0.00 O ATOM 1270 CB ASP A 82 -4.715 -12.056 -2.168 1.00 0.00 C ATOM 1271 CG ASP A 82 -4.770 -13.085 -1.041 1.00 0.00 C ATOM 1272 OD1 ASP A 82 -4.746 -12.686 0.147 1.00 0.00 O ATOM 1273 OD2 ASP A 82 -4.907 -14.283 -1.305 1.00 0.00 O ATOM 0 H ASP A 82 -4.258 -10.943 -4.373 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.807 -11.116 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.210 -11.146 -1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.290 -12.436 -3.012 1.00 0.00 H new ATOM 1278 N GLY A 83 -1.280 -12.880 -2.265 1.00 0.00 N ATOM 1279 CA GLY A 83 -0.370 -14.037 -2.209 1.00 0.00 C ATOM 1280 C GLY A 83 0.399 -14.331 -3.500 1.00 0.00 C ATOM 1281 O GLY A 83 0.415 -15.471 -3.965 1.00 0.00 O ATOM 0 H GLY A 83 -0.921 -12.048 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.350 -13.873 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.949 -14.921 -1.942 1.00 0.00 H new ATOM 1285 N TYR A 84 1.066 -13.337 -4.061 1.00 0.00 N ATOM 1286 CA TYR A 84 1.797 -13.552 -5.322 1.00 0.00 C ATOM 1287 C TYR A 84 3.269 -13.724 -5.159 1.00 0.00 C ATOM 1288 O TYR A 84 3.991 -12.770 -4.866 1.00 0.00 O ATOM 1289 CB TYR A 84 1.510 -12.484 -6.359 1.00 0.00 C ATOM 1290 CG TYR A 84 0.154 -12.621 -6.925 1.00 0.00 C ATOM 1291 CD1 TYR A 84 -0.922 -12.228 -6.202 1.00 0.00 C ATOM 1292 CD2 TYR A 84 -0.051 -13.182 -8.176 1.00 0.00 C ATOM 1293 CE1 TYR A 84 -2.202 -12.375 -6.691 1.00 0.00 C ATOM 1294 CE2 TYR A 84 -1.320 -13.340 -8.684 1.00 0.00 C ATOM 1295 CZ TYR A 84 -2.395 -12.933 -7.935 1.00 0.00 C ATOM 1296 OH TYR A 84 -3.670 -13.077 -8.434 1.00 0.00 O ATOM 0 H TYR A 84 1.124 -12.391 -3.684 1.00 0.00 H new ATOM 0 HA TYR A 84 1.407 -14.503 -5.686 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.617 -11.499 -5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.247 -12.548 -7.160 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.774 -11.792 -5.225 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.799 -13.500 -8.761 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -3.049 -12.054 -6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.468 -13.779 -9.660 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.132 -12.213 -8.406 1.00 0.00 H new ATOM 1306 N LYS A 85 3.702 -14.948 -5.317 1.00 0.00 N ATOM 1307 CA LYS A 85 5.095 -15.288 -5.335 1.00 0.00 C ATOM 1308 C LYS A 85 5.651 -14.904 -6.698 1.00 0.00 C ATOM 1309 O LYS A 85 5.423 -15.614 -7.672 1.00 0.00 O ATOM 1310 CB LYS A 85 5.295 -16.811 -5.115 1.00 0.00 C ATOM 1311 CG LYS A 85 4.485 -17.389 -3.967 1.00 0.00 C ATOM 1312 CD LYS A 85 3.173 -18.031 -4.427 1.00 0.00 C ATOM 1313 CE LYS A 85 2.309 -18.384 -3.235 1.00 0.00 C ATOM 1314 NZ LYS A 85 1.013 -18.996 -3.616 1.00 0.00 N ATOM 0 H LYS A 85 3.082 -15.749 -5.439 1.00 0.00 H new ATOM 0 HA LYS A 85 5.610 -14.757 -4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.029 -17.337 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.352 -17.004 -4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.085 -18.134 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.265 -16.598 -3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.636 -17.345 -5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.385 -18.928 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.854 -19.074 -2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.121 -17.483 -2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.467 -19.215 -2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.476 -18.331 -4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.186 -19.872 -4.149 1.00 0.00 H new ATOM 1328 N LEU A 86 6.316 -13.754 -6.778 1.00 0.00 N ATOM 1329 CA LEU A 86 6.888 -13.285 -8.055 1.00 0.00 C ATOM 1330 C LEU A 86 7.885 -14.288 -8.590 1.00 0.00 C ATOM 1331 O LEU A 86 7.782 -14.737 -9.730 1.00 0.00 O ATOM 1332 CB LEU A 86 7.595 -11.915 -7.941 1.00 0.00 C ATOM 1333 CG LEU A 86 6.758 -10.668 -7.607 1.00 0.00 C ATOM 1334 CD1 LEU A 86 7.639 -9.431 -7.723 1.00 0.00 C ATOM 1335 CD2 LEU A 86 5.551 -10.560 -8.534 1.00 0.00 C ATOM 0 H LEU A 86 6.476 -13.130 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 86 6.042 -13.175 -8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.368 -12.006 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.102 -11.727 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 86 6.383 -10.750 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.052 -8.543 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.472 -9.511 -7.025 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.024 -9.352 -8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.975 -9.671 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.891 -10.488 -9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.924 -11.444 -8.419 1.00 0.00 H new ATOM 1347 N ASP A 87 8.829 -14.656 -7.752 1.00 0.00 N ATOM 1348 CA ASP A 87 9.869 -15.574 -8.161 1.00 0.00 C ATOM 1349 C ASP A 87 10.384 -16.372 -6.975 1.00 0.00 C ATOM 1350 O ASP A 87 10.053 -17.538 -6.828 1.00 0.00 O ATOM 1351 CB ASP A 87 11.019 -14.832 -8.856 1.00 0.00 C ATOM 1352 CG ASP A 87 12.084 -15.772 -9.358 1.00 0.00 C ATOM 1353 OD1 ASP A 87 11.910 -16.370 -10.431 1.00 0.00 O ATOM 1354 OD2 ASP A 87 13.107 -15.945 -8.678 1.00 0.00 O ATOM 0 H ASP A 87 8.898 -14.335 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 87 9.435 -16.271 -8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 87 10.624 -14.255 -9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.464 -14.121 -8.159 1.00 0.00 H new ATOM 1359 N LYS A 88 11.198 -15.745 -6.135 1.00 0.00 N ATOM 1360 CA LYS A 88 11.711 -16.387 -4.980 1.00 0.00 C ATOM 1361 C LYS A 88 10.959 -15.989 -3.700 1.00 0.00 C ATOM 1362 O LYS A 88 9.835 -16.418 -3.460 1.00 0.00 O ATOM 1363 CB LYS A 88 13.235 -16.201 -4.804 1.00 0.00 C ATOM 1364 CG LYS A 88 14.154 -16.825 -5.869 1.00 0.00 C ATOM 1365 CD LYS A 88 14.097 -18.357 -5.905 1.00 0.00 C ATOM 1366 CE LYS A 88 13.098 -18.917 -6.922 1.00 0.00 C ATOM 1367 NZ LYS A 88 13.475 -18.578 -8.315 1.00 0.00 N ATOM 0 H LYS A 88 11.507 -14.780 -6.254 1.00 0.00 H new ATOM 0 HA LYS A 88 11.539 -17.450 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 88 13.441 -15.131 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.515 -16.614 -3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.878 -16.436 -6.849 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.181 -16.512 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.090 -18.742 -6.136 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.835 -18.725 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.041 -20.000 -6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.104 -18.523 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.747 -18.932 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.555 -17.546 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.389 -19.019 -8.544 1.00 0.00 H new ATOM 1381 N GLN A 89 11.555 -15.091 -2.928 1.00 0.00 N ATOM 1382 CA GLN A 89 11.001 -14.681 -1.636 1.00 0.00 C ATOM 1383 C GLN A 89 10.113 -13.457 -1.769 1.00 0.00 C ATOM 1384 O GLN A 89 9.589 -12.934 -0.789 1.00 0.00 O ATOM 1385 CB GLN A 89 12.145 -14.482 -0.612 1.00 0.00 C ATOM 1386 CG GLN A 89 13.197 -13.424 -0.980 1.00 0.00 C ATOM 1387 CD GLN A 89 12.854 -12.017 -0.519 1.00 0.00 C ATOM 1388 OE1 GLN A 89 12.204 -11.247 -1.230 1.00 0.00 O ATOM 1389 NE2 GLN A 89 13.317 -11.666 0.646 1.00 0.00 N ATOM 0 H GLN A 89 12.430 -14.627 -3.173 1.00 0.00 H new ATOM 0 HA GLN A 89 10.355 -15.475 -1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.705 -14.211 0.348 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.651 -15.437 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.154 -13.713 -0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 89 13.327 -13.418 -2.062 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.850 -12.332 1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 89 13.146 -10.725 1.000 1.00 0.00 H new ATOM 1398 N HIS A 90 9.931 -13.015 -2.990 1.00 0.00 N ATOM 1399 CA HIS A 90 9.108 -11.855 -3.242 1.00 0.00 C ATOM 1400 C HIS A 90 7.690 -12.340 -3.380 1.00 0.00 C ATOM 1401 O HIS A 90 7.321 -12.871 -4.416 1.00 0.00 O ATOM 1402 CB HIS A 90 9.481 -11.141 -4.542 1.00 0.00 C ATOM 1403 CG HIS A 90 10.954 -10.957 -4.826 1.00 0.00 C ATOM 1404 ND1 HIS A 90 11.930 -10.824 -3.867 1.00 0.00 N ATOM 1405 CD2 HIS A 90 11.602 -10.927 -6.012 1.00 0.00 C ATOM 1406 CE1 HIS A 90 13.108 -10.717 -4.476 1.00 0.00 C ATOM 1407 NE2 HIS A 90 12.966 -10.775 -5.785 1.00 0.00 N ATOM 0 H HIS A 90 10.340 -13.439 -3.823 1.00 0.00 H new ATOM 0 HA HIS A 90 9.245 -11.151 -2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.043 -11.697 -5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.012 -10.157 -4.535 1.00 0.00 H new ATOM 0 HD1 HIS A 90 11.777 -10.810 -2.859 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.135 -11.008 -6.982 1.00 0.00 H new ATOM 0 HE1 HIS A 90 14.053 -10.599 -3.967 1.00 0.00 H new ATOM 1415 N THR A 91 6.955 -12.271 -2.341 1.00 0.00 N ATOM 1416 CA THR A 91 5.585 -12.720 -2.346 1.00 0.00 C ATOM 1417 C THR A 91 4.706 -11.687 -1.691 1.00 0.00 C ATOM 1418 O THR A 91 4.941 -11.345 -0.556 1.00 0.00 O ATOM 1419 CB THR A 91 5.467 -14.060 -1.615 1.00 0.00 C ATOM 1420 OG1 THR A 91 6.398 -14.989 -2.207 1.00 0.00 O ATOM 1421 CG2 THR A 91 4.054 -14.612 -1.734 1.00 0.00 C ATOM 0 H THR A 91 7.272 -11.901 -1.445 1.00 0.00 H new ATOM 0 HA THR A 91 5.259 -12.857 -3.377 1.00 0.00 H new ATOM 0 HB THR A 91 5.692 -13.916 -0.558 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.335 -15.852 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.990 -15.565 -1.208 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.349 -13.906 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.809 -14.761 -2.786 1.00 0.00 H new ATOM 1429 N PHE A 92 3.686 -11.205 -2.369 1.00 0.00 N ATOM 1430 CA PHE A 92 2.903 -10.172 -1.769 1.00 0.00 C ATOM 1431 C PHE A 92 1.684 -10.760 -1.174 1.00 0.00 C ATOM 1432 O PHE A 92 0.779 -11.134 -1.890 1.00 0.00 O ATOM 1433 CB PHE A 92 2.538 -9.096 -2.784 1.00 0.00 C ATOM 1434 CG PHE A 92 3.734 -8.555 -3.481 1.00 0.00 C ATOM 1435 CD1 PHE A 92 4.642 -7.763 -2.806 1.00 0.00 C ATOM 1436 CD2 PHE A 92 3.970 -8.865 -4.804 1.00 0.00 C ATOM 1437 CE1 PHE A 92 5.769 -7.293 -3.441 1.00 0.00 C ATOM 1438 CE2 PHE A 92 5.086 -8.394 -5.444 1.00 0.00 C ATOM 1439 CZ PHE A 92 5.990 -7.611 -4.764 1.00 0.00 C ATOM 0 H PHE A 92 3.395 -11.504 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 92 3.494 -9.697 -0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.848 -9.511 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.015 -8.284 -2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.466 -7.510 -1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.268 -9.485 -5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.477 -6.678 -2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.256 -8.637 -6.482 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.873 -7.245 -5.267 1.00 0.00 H new ATOM 1449 N ARG A 93 1.684 -10.928 0.115 1.00 0.00 N ATOM 1450 CA ARG A 93 0.497 -11.403 0.772 1.00 0.00 C ATOM 1451 C ARG A 93 -0.259 -10.202 1.233 1.00 0.00 C ATOM 1452 O ARG A 93 0.316 -9.333 1.874 1.00 0.00 O ATOM 1453 CB ARG A 93 0.776 -12.348 1.963 1.00 0.00 C ATOM 1454 CG ARG A 93 1.501 -13.639 1.611 1.00 0.00 C ATOM 1455 CD ARG A 93 3.013 -13.503 1.721 1.00 0.00 C ATOM 1456 NE ARG A 93 3.431 -13.334 3.120 1.00 0.00 N ATOM 1457 CZ ARG A 93 3.732 -14.329 3.971 1.00 0.00 C ATOM 1458 NH1 ARG A 93 3.718 -15.593 3.569 1.00 0.00 N ATOM 1459 NH2 ARG A 93 4.059 -14.032 5.217 1.00 0.00 N ATOM 0 H ARG A 93 2.479 -10.747 0.728 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.073 -12.001 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.367 -11.809 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.173 -12.601 2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.161 -14.436 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.238 -13.935 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.492 -14.387 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 93 3.348 -12.648 1.133 1.00 0.00 H new ATOM 0 HE ARG A 93 3.498 -12.380 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.477 -15.819 2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.949 -16.339 4.225 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.080 -13.058 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.290 -14.776 5.875 1.00 0.00 H new ATOM 1473 N VAL A 94 -1.500 -10.103 0.874 1.00 0.00 N ATOM 1474 CA VAL A 94 -2.259 -8.957 1.265 1.00 0.00 C ATOM 1475 C VAL A 94 -3.024 -9.272 2.523 1.00 0.00 C ATOM 1476 O VAL A 94 -3.350 -10.448 2.789 1.00 0.00 O ATOM 1477 CB VAL A 94 -3.219 -8.489 0.172 1.00 0.00 C ATOM 1478 CG1 VAL A 94 -2.506 -8.238 -1.125 1.00 0.00 C ATOM 1479 CG2 VAL A 94 -4.384 -9.416 0.034 1.00 0.00 C ATOM 0 H VAL A 94 -2.005 -10.793 0.317 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.558 -8.141 1.442 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.630 -7.527 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.223 -7.907 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.749 -7.467 -0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.027 -9.158 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.047 -9.053 -0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.027 -10.413 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.929 -9.458 0.977 1.00 0.00 H new ATOM 1489 N ASN A 95 -3.265 -8.271 3.312 1.00 0.00 N ATOM 1490 CA ASN A 95 -3.958 -8.417 4.516 1.00 0.00 C ATOM 1491 C ASN A 95 -4.589 -7.051 4.875 1.00 0.00 C ATOM 1492 O ASN A 95 -4.361 -6.076 4.174 1.00 0.00 O ATOM 1493 CB ASN A 95 -2.939 -8.942 5.551 1.00 0.00 C ATOM 1494 CG ASN A 95 -3.321 -8.729 6.948 1.00 0.00 C ATOM 1495 OD1 ASN A 95 -3.008 -7.581 7.384 1.00 0.00 O flip ATOM 1496 ND2 ASN A 95 -3.954 -9.553 7.583 1.00 0.00 N flip ATOM 0 H ASN A 95 -2.971 -7.314 3.115 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.781 -9.130 4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.793 -10.010 5.387 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.979 -8.458 5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.171 -10.459 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.267 -9.337 8.529 1.00 0.00 H new ATOM 1503 N LEU A 96 -5.371 -7.014 5.934 1.00 0.00 N ATOM 1504 CA LEU A 96 -6.051 -5.808 6.420 1.00 0.00 C ATOM 1505 C LEU A 96 -5.128 -4.728 6.959 1.00 0.00 C ATOM 1506 O LEU A 96 -3.923 -4.901 7.111 1.00 0.00 O ATOM 1507 CB LEU A 96 -7.001 -6.140 7.557 1.00 0.00 C ATOM 1508 CG LEU A 96 -8.376 -6.656 7.228 1.00 0.00 C ATOM 1509 CD1 LEU A 96 -9.148 -5.673 6.357 1.00 0.00 C ATOM 1510 CD2 LEU A 96 -8.346 -8.042 6.631 1.00 0.00 C ATOM 0 H LEU A 96 -5.563 -7.838 6.503 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.562 -5.430 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -6.513 -6.882 8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -7.122 -5.239 8.159 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.914 -6.744 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.136 -6.078 6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.253 -4.725 6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.608 -5.512 5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.363 -8.366 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.764 -8.029 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.889 -8.733 7.339 1.00 0.00 H new ATOM 1522 N PHE A 97 -5.770 -3.644 7.331 1.00 0.00 N ATOM 1523 CA PHE A 97 -5.122 -2.483 7.920 1.00 0.00 C ATOM 1524 C PHE A 97 -5.884 -2.058 9.178 1.00 0.00 C ATOM 1525 O PHE A 97 -5.311 -1.535 10.118 1.00 0.00 O ATOM 1526 CB PHE A 97 -5.070 -1.323 6.900 1.00 0.00 C ATOM 1527 CG PHE A 97 -4.518 -0.023 7.437 1.00 0.00 C ATOM 1528 CD1 PHE A 97 -3.164 0.130 7.659 1.00 0.00 C ATOM 1529 CD2 PHE A 97 -5.364 1.043 7.721 1.00 0.00 C ATOM 1530 CE1 PHE A 97 -2.655 1.318 8.150 1.00 0.00 C ATOM 1531 CE2 PHE A 97 -4.863 2.231 8.211 1.00 0.00 C ATOM 1532 CZ PHE A 97 -3.506 2.368 8.426 1.00 0.00 C ATOM 0 H PHE A 97 -6.780 -3.538 7.232 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.099 -2.741 8.194 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.463 -1.634 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.077 -1.145 6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.493 -0.689 7.446 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.426 0.940 7.556 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.593 1.424 8.317 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.531 3.052 8.426 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.111 3.297 8.810 1.00 0.00 H new ATOM 1542 N THR A 98 -7.170 -2.350 9.206 1.00 0.00 N ATOM 1543 CA THR A 98 -8.033 -1.958 10.297 1.00 0.00 C ATOM 1544 C THR A 98 -7.796 -2.788 11.543 1.00 0.00 C ATOM 1545 O THR A 98 -8.015 -2.345 12.664 1.00 0.00 O ATOM 1546 CB THR A 98 -9.470 -2.097 9.824 1.00 0.00 C ATOM 1547 OG1 THR A 98 -9.475 -3.062 8.729 1.00 0.00 O ATOM 1548 CG2 THR A 98 -10.016 -0.758 9.354 1.00 0.00 C ATOM 0 H THR A 98 -7.645 -2.869 8.467 1.00 0.00 H new ATOM 0 HA THR A 98 -7.815 -0.927 10.574 1.00 0.00 H new ATOM 0 HB THR A 98 -10.107 -2.437 10.641 1.00 0.00 H new ATOM 0 HG1 THR A 98 -10.333 -3.017 8.257 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.046 -0.882 9.020 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.985 -0.043 10.176 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.409 -0.387 8.528 1.00 0.00 H new ATOM 1556 N ASP A 99 -7.309 -3.955 11.330 1.00 0.00 N ATOM 1557 CA ASP A 99 -7.081 -4.912 12.405 1.00 0.00 C ATOM 1558 C ASP A 99 -5.593 -5.106 12.662 1.00 0.00 C ATOM 1559 O ASP A 99 -5.181 -5.543 13.732 1.00 0.00 O ATOM 1560 CB ASP A 99 -7.707 -6.244 12.013 1.00 0.00 C ATOM 1561 CG ASP A 99 -7.602 -7.309 13.086 1.00 0.00 C ATOM 1562 OD1 ASP A 99 -8.313 -7.214 14.102 1.00 0.00 O ATOM 1563 OD2 ASP A 99 -6.835 -8.261 12.924 1.00 0.00 O ATOM 0 H ASP A 99 -7.048 -4.298 10.405 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.535 -4.530 13.319 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.759 -6.084 11.774 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.226 -6.608 11.105 1.00 0.00 H new ATOM 1568 N PHE A 100 -4.789 -4.747 11.694 1.00 0.00 N ATOM 1569 CA PHE A 100 -3.365 -5.016 11.774 1.00 0.00 C ATOM 1570 C PHE A 100 -2.493 -3.777 11.888 1.00 0.00 C ATOM 1571 O PHE A 100 -2.870 -2.684 11.466 1.00 0.00 O ATOM 1572 CB PHE A 100 -2.899 -5.912 10.624 1.00 0.00 C ATOM 1573 CG PHE A 100 -3.404 -7.327 10.724 1.00 0.00 C ATOM 1574 CD1 PHE A 100 -4.669 -7.666 10.279 1.00 0.00 C ATOM 1575 CD2 PHE A 100 -2.604 -8.319 11.268 1.00 0.00 C ATOM 1576 CE1 PHE A 100 -5.128 -8.964 10.374 1.00 0.00 C ATOM 1577 CE2 PHE A 100 -3.057 -9.619 11.365 1.00 0.00 C ATOM 1578 CZ PHE A 100 -4.320 -9.941 10.918 1.00 0.00 C ATOM 0 H PHE A 100 -5.088 -4.270 10.843 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.233 -5.550 12.715 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -3.233 -5.481 9.680 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.809 -5.924 10.602 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.306 -6.905 9.852 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.614 -8.072 11.621 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -6.118 -9.215 10.023 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.423 -10.383 11.790 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.677 -10.957 10.993 1.00 0.00 H new ATOM 1588 N ASP A 101 -1.351 -4.010 12.494 1.00 0.00 N ATOM 1589 CA ASP A 101 -0.257 -3.102 12.780 1.00 0.00 C ATOM 1590 C ASP A 101 0.566 -3.866 13.751 1.00 0.00 C ATOM 1591 O ASP A 101 0.007 -4.424 14.704 1.00 0.00 O ATOM 1592 CB ASP A 101 -0.690 -1.759 13.430 1.00 0.00 C ATOM 1593 CG ASP A 101 0.501 -0.882 13.880 1.00 0.00 C ATOM 1594 OD1 ASP A 101 1.370 -0.521 13.050 1.00 0.00 O ATOM 1595 OD2 ASP A 101 0.551 -0.482 15.067 1.00 0.00 O ATOM 0 H ASP A 101 -1.140 -4.947 12.838 1.00 0.00 H new ATOM 0 HA ASP A 101 0.247 -2.811 11.858 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.296 -1.198 12.718 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.323 -1.969 14.292 1.00 0.00 H new ATOM 1600 N LYS A 102 1.824 -4.030 13.459 1.00 0.00 N ATOM 1601 CA LYS A 102 2.735 -4.732 14.349 1.00 0.00 C ATOM 1602 C LYS A 102 2.638 -4.263 15.794 1.00 0.00 C ATOM 1603 O LYS A 102 2.401 -3.079 16.082 1.00 0.00 O ATOM 1604 CB LYS A 102 4.194 -4.725 13.837 1.00 0.00 C ATOM 1605 CG LYS A 102 4.686 -3.432 13.185 1.00 0.00 C ATOM 1606 CD LYS A 102 4.395 -2.184 13.993 1.00 0.00 C ATOM 1607 CE LYS A 102 4.718 -0.949 13.208 1.00 0.00 C ATOM 1608 NZ LYS A 102 4.027 0.233 13.754 1.00 0.00 N ATOM 0 H LYS A 102 2.257 -3.686 12.602 1.00 0.00 H new ATOM 0 HA LYS A 102 2.404 -5.771 14.341 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.850 -4.954 14.676 1.00 0.00 H new ATOM 0 HB3 LYS A 102 4.305 -5.534 13.115 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.762 -3.505 13.024 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.222 -3.333 12.203 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.344 -2.171 14.283 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.979 -2.198 14.913 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.795 -0.780 13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 102 4.429 -1.092 12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.386 1.091 13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.005 0.148 13.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.201 0.295 14.777 1.00 0.00 H new ATOM 1622 N TYR A 103 2.812 -5.171 16.681 1.00 0.00 N ATOM 1623 CA TYR A 103 2.666 -4.865 18.063 1.00 0.00 C ATOM 1624 C TYR A 103 4.001 -4.438 18.614 1.00 0.00 C ATOM 1625 O TYR A 103 4.874 -5.266 18.898 1.00 0.00 O ATOM 1626 CB TYR A 103 2.075 -6.045 18.853 1.00 0.00 C ATOM 1627 CG TYR A 103 1.633 -5.670 20.259 1.00 0.00 C ATOM 1628 CD1 TYR A 103 0.338 -5.217 20.499 1.00 0.00 C ATOM 1629 CD2 TYR A 103 2.502 -5.759 21.334 1.00 0.00 C ATOM 1630 CE1 TYR A 103 -0.070 -4.866 21.772 1.00 0.00 C ATOM 1631 CE2 TYR A 103 2.100 -5.408 22.603 1.00 0.00 C ATOM 1632 CZ TYR A 103 0.820 -4.963 22.820 1.00 0.00 C ATOM 1633 OH TYR A 103 0.426 -4.616 24.106 1.00 0.00 O ATOM 0 H TYR A 103 3.057 -6.140 16.478 1.00 0.00 H new ATOM 0 HA TYR A 103 1.956 -4.045 18.171 1.00 0.00 H new ATOM 0 HB2 TYR A 103 1.222 -6.447 18.307 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.818 -6.840 18.914 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.358 -5.139 19.677 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.511 -6.109 21.174 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.078 -4.519 21.944 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.792 -5.483 23.428 1.00 0.00 H new ATOM 0 HH TYR A 103 1.176 -4.745 24.724 1.00 0.00 H new ATOM 1643 N MET A 104 4.188 -3.155 18.693 1.00 0.00 N ATOM 1644 CA MET A 104 5.405 -2.621 19.213 1.00 0.00 C ATOM 1645 C MET A 104 5.097 -2.003 20.550 1.00 0.00 C ATOM 1646 O MET A 104 4.524 -0.914 20.628 1.00 0.00 O ATOM 1647 CB MET A 104 6.024 -1.591 18.235 1.00 0.00 C ATOM 1648 CG MET A 104 7.497 -1.225 18.509 1.00 0.00 C ATOM 1649 SD MET A 104 7.799 -0.333 20.057 1.00 0.00 S ATOM 1650 CE MET A 104 6.997 1.235 19.723 1.00 0.00 C ATOM 0 H MET A 104 3.506 -2.456 18.401 1.00 0.00 H new ATOM 0 HA MET A 104 6.146 -3.411 19.334 1.00 0.00 H new ATOM 0 HB2 MET A 104 5.947 -1.985 17.222 1.00 0.00 H new ATOM 0 HB3 MET A 104 5.428 -0.679 18.268 1.00 0.00 H new ATOM 0 HG2 MET A 104 8.087 -2.142 18.516 1.00 0.00 H new ATOM 0 HG3 MET A 104 7.863 -0.617 17.681 1.00 0.00 H new ATOM 0 HE1 MET A 104 7.250 1.948 20.508 1.00 0.00 H new ATOM 0 HE2 MET A 104 7.336 1.619 18.761 1.00 0.00 H new ATOM 0 HE3 MET A 104 5.917 1.093 19.696 1.00 0.00 H new ATOM 1660 N THR A 105 5.356 -2.747 21.576 1.00 0.00 N ATOM 1661 CA THR A 105 5.194 -2.320 22.936 1.00 0.00 C ATOM 1662 C THR A 105 6.142 -3.177 23.758 1.00 0.00 C ATOM 1663 O THR A 105 5.774 -4.317 24.124 1.00 0.00 O ATOM 1664 CB THR A 105 3.730 -2.500 23.447 1.00 0.00 C ATOM 1665 OG1 THR A 105 2.803 -1.840 22.555 1.00 0.00 O ATOM 1666 CG2 THR A 105 3.567 -1.917 24.850 1.00 0.00 C ATOM 1667 OXT THR A 105 7.303 -2.773 23.936 1.00 0.00 O ATOM 0 H THR A 105 5.699 -3.704 21.491 1.00 0.00 H new ATOM 0 HA THR A 105 5.413 -1.256 23.023 1.00 0.00 H new ATOM 0 HB THR A 105 3.517 -3.569 23.476 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.302 -1.332 21.882 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.539 -2.055 25.184 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.243 -2.427 25.537 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.803 -0.853 24.832 1.00 0.00 H new TER 1675 THR A 105