USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 925 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 41 MET CE :methyl -142:sc= -3.72! (180deg=-4.7!) USER MOD Set 1.2: A 48 SER OG : rot -63:sc= 0.805 USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.00998 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00547 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 11 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-2.3) USER MOD Single : A 13 MET CE :methyl -159:sc= -2.67! (180deg=-5.17!) USER MOD Single : A 18 ASN : amide:sc= -2.23! C(o=-2.2!,f=-7.6!) USER MOD Single : A 20 SER OG : rot 78:sc= 0.32 USER MOD Single : A 22 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.3!) USER MOD Single : A 24 ASN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0734 X(o=-0.073,f=-0.51) USER MOD Single : A 32 CYS SG : rot -89:sc= 0.446 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -82:sc= -1.55 USER MOD Single : A 38 CYS SG : rot 180:sc= -6.49! USER MOD Single : A 39 GLN : amide:sc= -5.73! C(o=-5.7!,f=-5.9!) USER MOD Single : A 43 MET CE :methyl 147:sc= -0.575 (180deg=-2.05!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.768 K(o=-0.77,f=-6!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= -10.5! C(o=-10!,f=-16!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 1.1 K(o=1.1,f=-0.29) USER MOD Single : A 67 ASN : amide:sc= -1.63 K(o=-1.6,f=-7.8!) USER MOD Single : A 69 LYS NZ :NH3+ 167:sc= -0.51 (180deg=-1.1) USER MOD Single : A 72 GLN : amide:sc= -1.24! C(o=-1.2!,f=-4.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -104:sc= -0.245 (180deg=-1.53!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -1.39 X(o=-1.4,f=-1) USER MOD Single : A 102 GLN : amide:sc= -0.0569 K(o=-0.057,f=-1.8!) USER MOD Single : A 105 LYS NZ :NH3+ 157:sc= 0.747 (180deg=0.399) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.264 8.320 -7.954 1.00 0.00 N ATOM 2 CA GLY A 1 33.831 9.382 -8.847 1.00 0.00 C ATOM 3 C GLY A 1 32.715 10.213 -8.210 1.00 0.00 C ATOM 4 O GLY A 1 32.772 10.530 -7.023 1.00 0.00 O ATOM 0 H1 GLY A 1 35.273 8.123 -8.113 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.120 8.616 -6.967 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.709 7.461 -8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.676 10.026 -9.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 33.479 8.952 -9.785 1.00 0.00 H new ATOM 8 N SER A 2 31.725 10.541 -9.027 1.00 0.00 N ATOM 9 CA SER A 2 30.598 11.329 -8.559 1.00 0.00 C ATOM 10 C SER A 2 29.339 10.460 -8.504 1.00 0.00 C ATOM 11 O SER A 2 28.566 10.422 -9.460 1.00 0.00 O ATOM 12 CB SER A 2 30.365 12.545 -9.457 1.00 0.00 C ATOM 13 OG SER A 2 29.456 13.474 -8.872 1.00 0.00 O ATOM 0 H SER A 2 31.680 10.275 -10.011 1.00 0.00 H new ATOM 0 HA SER A 2 30.826 11.691 -7.556 1.00 0.00 H new ATOM 0 HB2 SER A 2 31.316 13.041 -9.650 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.976 12.215 -10.420 1.00 0.00 H new ATOM 0 HG SER A 2 29.335 14.237 -9.475 1.00 0.00 H new ATOM 19 N SER A 3 29.173 9.785 -7.377 1.00 0.00 N ATOM 20 CA SER A 3 28.022 8.920 -7.185 1.00 0.00 C ATOM 21 C SER A 3 27.894 8.538 -5.709 1.00 0.00 C ATOM 22 O SER A 3 28.631 7.683 -5.220 1.00 0.00 O ATOM 23 CB SER A 3 28.127 7.663 -8.052 1.00 0.00 C ATOM 24 OG SER A 3 26.850 7.088 -8.316 1.00 0.00 O ATOM 0 H SER A 3 29.817 9.820 -6.587 1.00 0.00 H new ATOM 0 HA SER A 3 27.129 9.466 -7.491 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.614 7.913 -8.995 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.759 6.929 -7.551 1.00 0.00 H new ATOM 0 HG SER A 3 26.960 6.289 -8.873 1.00 0.00 H new ATOM 30 N GLY A 4 26.953 9.189 -5.042 1.00 0.00 N ATOM 31 CA GLY A 4 26.719 8.928 -3.632 1.00 0.00 C ATOM 32 C GLY A 4 25.224 8.967 -3.307 1.00 0.00 C ATOM 33 O GLY A 4 24.765 9.850 -2.583 1.00 0.00 O ATOM 0 H GLY A 4 26.343 9.897 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.127 7.953 -3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.245 9.668 -3.029 1.00 0.00 H new ATOM 37 N SER A 5 24.506 8.000 -3.859 1.00 0.00 N ATOM 38 CA SER A 5 23.072 7.913 -3.637 1.00 0.00 C ATOM 39 C SER A 5 22.784 7.032 -2.420 1.00 0.00 C ATOM 40 O SER A 5 22.148 7.476 -1.465 1.00 0.00 O ATOM 41 CB SER A 5 22.357 7.363 -4.872 1.00 0.00 C ATOM 42 OG SER A 5 22.983 6.184 -5.371 1.00 0.00 O ATOM 0 H SER A 5 24.890 7.270 -4.459 1.00 0.00 H new ATOM 0 HA SER A 5 22.693 8.917 -3.448 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.319 7.144 -4.622 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.344 8.124 -5.652 1.00 0.00 H new ATOM 0 HG SER A 5 22.496 5.863 -6.158 1.00 0.00 H new ATOM 48 N SER A 6 23.264 5.800 -2.494 1.00 0.00 N ATOM 49 CA SER A 6 23.066 4.853 -1.410 1.00 0.00 C ATOM 50 C SER A 6 23.876 5.282 -0.185 1.00 0.00 C ATOM 51 O SER A 6 25.094 5.431 -0.263 1.00 0.00 O ATOM 52 CB SER A 6 23.458 3.437 -1.836 1.00 0.00 C ATOM 53 OG SER A 6 22.589 2.922 -2.841 1.00 0.00 O ATOM 0 H SER A 6 23.790 5.435 -3.288 1.00 0.00 H new ATOM 0 HA SER A 6 22.007 4.845 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.482 3.441 -2.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.438 2.779 -0.968 1.00 0.00 H new ATOM 0 HG SER A 6 22.874 2.017 -3.087 1.00 0.00 H new ATOM 59 N GLY A 7 23.166 5.469 0.919 1.00 0.00 N ATOM 60 CA GLY A 7 23.804 5.878 2.158 1.00 0.00 C ATOM 61 C GLY A 7 22.976 6.946 2.875 1.00 0.00 C ATOM 62 O GLY A 7 23.475 8.033 3.164 1.00 0.00 O ATOM 0 H GLY A 7 22.155 5.345 0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.930 5.013 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.800 6.266 1.947 1.00 0.00 H new ATOM 66 N GLN A 8 21.725 6.600 3.140 1.00 0.00 N ATOM 67 CA GLN A 8 20.823 7.516 3.817 1.00 0.00 C ATOM 68 C GLN A 8 19.519 6.804 4.182 1.00 0.00 C ATOM 69 O GLN A 8 18.756 6.409 3.301 1.00 0.00 O ATOM 70 CB GLN A 8 20.551 8.753 2.958 1.00 0.00 C ATOM 71 CG GLN A 8 20.217 9.964 3.831 1.00 0.00 C ATOM 72 CD GLN A 8 19.923 11.195 2.971 1.00 0.00 C ATOM 73 OE1 GLN A 8 19.908 11.144 1.753 1.00 0.00 O ATOM 74 NE2 GLN A 8 19.691 12.302 3.672 1.00 0.00 N ATOM 0 H GLN A 8 21.315 5.698 2.898 1.00 0.00 H new ATOM 0 HA GLN A 8 21.301 7.852 4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 8 21.424 8.973 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 8 19.724 8.552 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 8 19.354 9.739 4.457 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.050 10.175 4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 8 19.719 12.275 4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.485 13.177 3.190 1.00 0.00 H new ATOM 83 N ARG A 9 19.302 6.663 5.481 1.00 0.00 N ATOM 84 CA ARG A 9 18.103 6.005 5.973 1.00 0.00 C ATOM 85 C ARG A 9 16.858 6.632 5.343 1.00 0.00 C ATOM 86 O ARG A 9 16.958 7.603 4.595 1.00 0.00 O ATOM 87 CB ARG A 9 18.004 6.109 7.496 1.00 0.00 C ATOM 88 CG ARG A 9 18.448 4.806 8.165 1.00 0.00 C ATOM 89 CD ARG A 9 17.533 4.454 9.340 1.00 0.00 C ATOM 90 NE ARG A 9 18.144 4.905 10.610 1.00 0.00 N ATOM 91 CZ ARG A 9 17.518 4.883 11.794 1.00 0.00 C ATOM 92 NH1 ARG A 9 16.259 4.431 11.878 1.00 0.00 N ATOM 93 NH2 ARG A 9 18.151 5.312 12.895 1.00 0.00 N ATOM 0 H ARG A 9 19.936 6.993 6.208 1.00 0.00 H new ATOM 0 HA ARG A 9 18.164 4.953 5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 9 18.624 6.933 7.849 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.977 6.338 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.437 3.996 7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 9 19.475 4.905 8.516 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.559 4.926 9.208 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.364 3.378 9.370 1.00 0.00 H new ATOM 0 HE ARG A 9 19.102 5.255 10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.778 4.104 11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.782 4.414 12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.109 5.655 12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.674 5.295 13.797 1.00 0.00 H new ATOM 107 N ARG A 10 15.713 6.052 5.670 1.00 0.00 N ATOM 108 CA ARG A 10 14.449 6.542 5.146 1.00 0.00 C ATOM 109 C ARG A 10 14.344 6.243 3.649 1.00 0.00 C ATOM 110 O ARG A 10 13.573 5.377 3.238 1.00 0.00 O ATOM 111 CB ARG A 10 14.307 8.049 5.369 1.00 0.00 C ATOM 112 CG ARG A 10 13.249 8.348 6.433 1.00 0.00 C ATOM 113 CD ARG A 10 11.971 8.897 5.795 1.00 0.00 C ATOM 114 NE ARG A 10 12.200 10.275 5.307 1.00 0.00 N ATOM 115 CZ ARG A 10 12.472 10.584 4.032 1.00 0.00 C ATOM 116 NH1 ARG A 10 12.551 9.615 3.109 1.00 0.00 N ATOM 117 NH2 ARG A 10 12.666 11.862 3.679 1.00 0.00 N ATOM 0 H ARG A 10 15.634 5.247 6.291 1.00 0.00 H new ATOM 0 HA ARG A 10 13.648 6.030 5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.266 8.467 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.034 8.535 4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.021 7.439 6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.642 9.070 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.663 8.256 4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.160 8.890 6.523 1.00 0.00 H new ATOM 0 HE ARG A 10 12.148 11.037 5.983 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.404 8.642 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 10 12.758 9.851 2.138 1.00 0.00 H new ATOM 0 HH21 ARG A 10 12.607 12.600 4.381 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.873 12.097 2.708 1.00 0.00 H new ATOM 131 N HIS A 11 15.130 6.976 2.875 1.00 0.00 N ATOM 132 CA HIS A 11 15.135 6.800 1.433 1.00 0.00 C ATOM 133 C HIS A 11 15.434 5.338 1.095 1.00 0.00 C ATOM 134 O HIS A 11 15.155 4.883 -0.013 1.00 0.00 O ATOM 135 CB HIS A 11 16.111 7.774 0.770 1.00 0.00 C ATOM 136 CG HIS A 11 16.237 7.595 -0.725 1.00 0.00 C ATOM 137 ND1 HIS A 11 16.897 6.523 -1.299 1.00 0.00 N ATOM 138 CD2 HIS A 11 15.779 8.363 -1.755 1.00 0.00 C ATOM 139 CE1 HIS A 11 16.835 6.650 -2.616 1.00 0.00 C ATOM 140 NE2 HIS A 11 16.142 7.791 -2.897 1.00 0.00 N ATOM 0 H HIS A 11 15.768 7.693 3.219 1.00 0.00 H new ATOM 0 HA HIS A 11 14.149 7.035 1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 11 15.788 8.794 0.978 1.00 0.00 H new ATOM 0 HB3 HIS A 11 17.094 7.653 1.224 1.00 0.00 H new ATOM 0 HD2 HIS A 11 15.217 9.280 -1.658 1.00 0.00 H new ATOM 0 HE1 HIS A 11 17.259 5.970 -3.340 1.00 0.00 H new ATOM 0 HE2 HIS A 11 15.937 8.146 -3.831 1.00 0.00 H new ATOM 148 N ASP A 12 15.999 4.642 2.071 1.00 0.00 N ATOM 149 CA ASP A 12 16.339 3.241 1.891 1.00 0.00 C ATOM 150 C ASP A 12 15.094 2.471 1.449 1.00 0.00 C ATOM 151 O ASP A 12 15.123 1.759 0.446 1.00 0.00 O ATOM 152 CB ASP A 12 16.838 2.623 3.199 1.00 0.00 C ATOM 153 CG ASP A 12 17.595 1.303 3.043 1.00 0.00 C ATOM 154 OD1 ASP A 12 18.207 1.123 1.967 1.00 0.00 O ATOM 155 OD2 ASP A 12 17.545 0.504 4.002 1.00 0.00 O ATOM 0 H ASP A 12 16.230 5.022 2.989 1.00 0.00 H new ATOM 0 HA ASP A 12 17.126 3.179 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.489 3.341 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.983 2.459 3.855 1.00 0.00 H new ATOM 160 N MET A 13 14.028 2.640 2.218 1.00 0.00 N ATOM 161 CA MET A 13 12.775 1.969 1.918 1.00 0.00 C ATOM 162 C MET A 13 12.123 2.560 0.666 1.00 0.00 C ATOM 163 O MET A 13 11.791 1.831 -0.268 1.00 0.00 O ATOM 164 CB MET A 13 11.822 2.113 3.106 1.00 0.00 C ATOM 165 CG MET A 13 12.497 1.675 4.407 1.00 0.00 C ATOM 166 SD MET A 13 13.066 -0.011 4.263 1.00 0.00 S ATOM 167 CE MET A 13 11.499 -0.854 4.118 1.00 0.00 C ATOM 0 H MET A 13 14.007 3.232 3.048 1.00 0.00 H new ATOM 0 HA MET A 13 12.984 0.915 1.734 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.497 3.150 3.192 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.929 1.512 2.935 1.00 0.00 H new ATOM 0 HG2 MET A 13 13.337 2.333 4.630 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.796 1.761 5.237 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.623 -1.902 4.390 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.773 -0.390 4.785 1.00 0.00 H new ATOM 0 HE3 MET A 13 11.143 -0.786 3.090 1.00 0.00 H new ATOM 177 N LEU A 14 11.959 3.874 0.687 1.00 0.00 N ATOM 178 CA LEU A 14 11.353 4.571 -0.435 1.00 0.00 C ATOM 179 C LEU A 14 11.910 4.005 -1.742 1.00 0.00 C ATOM 180 O LEU A 14 11.165 3.789 -2.697 1.00 0.00 O ATOM 181 CB LEU A 14 11.539 6.083 -0.290 1.00 0.00 C ATOM 182 CG LEU A 14 11.366 6.648 1.121 1.00 0.00 C ATOM 183 CD1 LEU A 14 11.131 8.159 1.081 1.00 0.00 C ATOM 184 CD2 LEU A 14 10.254 5.914 1.873 1.00 0.00 C ATOM 0 H LEU A 14 12.235 4.475 1.463 1.00 0.00 H new ATOM 0 HA LEU A 14 10.276 4.406 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.537 6.342 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.828 6.581 -0.949 1.00 0.00 H new ATOM 0 HG LEU A 14 12.291 6.481 1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 14 11.011 8.536 2.097 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.985 8.648 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.230 8.372 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.152 6.335 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.314 6.028 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.503 4.856 1.949 1.00 0.00 H new ATOM 196 N ALA A 15 13.216 3.780 -1.744 1.00 0.00 N ATOM 197 CA ALA A 15 13.881 3.243 -2.918 1.00 0.00 C ATOM 198 C ALA A 15 13.283 1.876 -3.258 1.00 0.00 C ATOM 199 O ALA A 15 12.978 1.599 -4.417 1.00 0.00 O ATOM 200 CB ALA A 15 15.389 3.173 -2.664 1.00 0.00 C ATOM 0 H ALA A 15 13.831 3.960 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 15 13.725 3.894 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.888 2.770 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.770 4.173 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.584 2.526 -1.809 1.00 0.00 H new ATOM 206 N TRP A 16 13.134 1.058 -2.227 1.00 0.00 N ATOM 207 CA TRP A 16 12.578 -0.273 -2.401 1.00 0.00 C ATOM 208 C TRP A 16 11.333 -0.153 -3.283 1.00 0.00 C ATOM 209 O TRP A 16 11.378 -0.462 -4.472 1.00 0.00 O ATOM 210 CB TRP A 16 12.293 -0.929 -1.050 1.00 0.00 C ATOM 211 CG TRP A 16 11.789 -2.370 -1.152 1.00 0.00 C ATOM 212 CD1 TRP A 16 12.403 -3.421 -1.713 1.00 0.00 C ATOM 213 CD2 TRP A 16 10.534 -2.880 -0.654 1.00 0.00 C ATOM 214 NE1 TRP A 16 11.638 -4.566 -1.613 1.00 0.00 N ATOM 215 CE2 TRP A 16 10.466 -4.226 -0.949 1.00 0.00 C ATOM 216 CE3 TRP A 16 9.491 -2.224 0.024 1.00 0.00 C ATOM 217 CZ2 TRP A 16 9.374 -5.032 -0.604 1.00 0.00 C ATOM 218 CZ3 TRP A 16 8.407 -3.044 0.361 1.00 0.00 C ATOM 219 CH2 TRP A 16 8.323 -4.401 0.072 1.00 0.00 C ATOM 0 H TRP A 16 13.389 1.291 -1.267 1.00 0.00 H new ATOM 0 HA TRP A 16 13.294 -0.929 -2.897 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.204 -0.915 -0.452 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.552 -0.333 -0.517 1.00 0.00 H new ATOM 0 HD1 TRP A 16 13.374 -3.378 -2.184 1.00 0.00 H new ATOM 0 HE1 TRP A 16 11.887 -5.491 -1.962 1.00 0.00 H new ATOM 0 HE3 TRP A 16 9.523 -1.172 0.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 9.344 -6.084 -0.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.577 -2.590 0.882 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.451 -4.966 0.368 1.00 0.00 H new ATOM 230 N ILE A 17 10.251 0.297 -2.665 1.00 0.00 N ATOM 231 CA ILE A 17 8.996 0.461 -3.378 1.00 0.00 C ATOM 232 C ILE A 17 9.257 1.184 -4.701 1.00 0.00 C ATOM 233 O ILE A 17 8.877 0.696 -5.764 1.00 0.00 O ATOM 234 CB ILE A 17 7.962 1.158 -2.490 1.00 0.00 C ATOM 235 CG1 ILE A 17 7.491 0.232 -1.368 1.00 0.00 C ATOM 236 CG2 ILE A 17 6.794 1.690 -3.323 1.00 0.00 C ATOM 237 CD1 ILE A 17 7.993 0.719 -0.007 1.00 0.00 C ATOM 0 H ILE A 17 10.218 0.553 -1.678 1.00 0.00 H new ATOM 0 HA ILE A 17 8.568 -0.511 -3.624 1.00 0.00 H new ATOM 0 HB ILE A 17 8.439 2.017 -2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.402 0.186 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.852 -0.780 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.074 2.181 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.166 2.407 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.309 0.862 -3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.644 0.042 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.083 0.740 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.611 1.722 0.184 1.00 0.00 H new ATOM 249 N ASN A 18 9.904 2.335 -4.592 1.00 0.00 N ATOM 250 CA ASN A 18 10.220 3.129 -5.767 1.00 0.00 C ATOM 251 C ASN A 18 10.746 2.211 -6.872 1.00 0.00 C ATOM 252 O ASN A 18 10.326 2.316 -8.023 1.00 0.00 O ATOM 253 CB ASN A 18 11.304 4.164 -5.457 1.00 0.00 C ATOM 254 CG ASN A 18 10.713 5.381 -4.743 1.00 0.00 C ATOM 255 OD1 ASN A 18 9.546 5.417 -4.386 1.00 0.00 O ATOM 256 ND2 ASN A 18 11.579 6.372 -4.555 1.00 0.00 N ATOM 0 H ASN A 18 10.218 2.737 -3.708 1.00 0.00 H new ATOM 0 HA ASN A 18 9.311 3.641 -6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.076 3.712 -4.834 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.786 4.479 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.281 7.228 -4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.542 6.276 -4.879 1.00 0.00 H new ATOM 263 N GLU A 19 11.657 1.331 -6.483 1.00 0.00 N ATOM 264 CA GLU A 19 12.244 0.395 -7.427 1.00 0.00 C ATOM 265 C GLU A 19 11.519 -0.951 -7.360 1.00 0.00 C ATOM 266 O GLU A 19 12.132 -1.976 -7.065 1.00 0.00 O ATOM 267 CB GLU A 19 13.742 0.224 -7.170 1.00 0.00 C ATOM 268 CG GLU A 19 14.566 1.036 -8.171 1.00 0.00 C ATOM 269 CD GLU A 19 15.599 0.153 -8.875 1.00 0.00 C ATOM 270 OE1 GLU A 19 15.167 -0.849 -9.485 1.00 0.00 O ATOM 271 OE2 GLU A 19 16.797 0.499 -8.786 1.00 0.00 O ATOM 0 H GLU A 19 12.003 1.246 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 19 12.125 0.800 -8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.979 0.543 -6.155 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.009 -0.830 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.905 1.488 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.071 1.852 -7.654 1.00 0.00 H new ATOM 278 N SER A 20 10.225 -0.905 -7.638 1.00 0.00 N ATOM 279 CA SER A 20 9.410 -2.108 -7.612 1.00 0.00 C ATOM 280 C SER A 20 8.163 -1.913 -8.477 1.00 0.00 C ATOM 281 O SER A 20 7.796 -2.796 -9.251 1.00 0.00 O ATOM 282 CB SER A 20 9.012 -2.473 -6.181 1.00 0.00 C ATOM 283 OG SER A 20 10.095 -2.317 -5.269 1.00 0.00 O ATOM 0 H SER A 20 9.720 -0.053 -7.883 1.00 0.00 H new ATOM 0 HA SER A 20 10.000 -2.930 -8.016 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.179 -1.845 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.661 -3.505 -6.154 1.00 0.00 H new ATOM 0 HG SER A 20 10.209 -1.367 -5.056 1.00 0.00 H new ATOM 289 N LEU A 21 7.546 -0.752 -8.317 1.00 0.00 N ATOM 290 CA LEU A 21 6.347 -0.431 -9.073 1.00 0.00 C ATOM 291 C LEU A 21 6.519 0.937 -9.736 1.00 0.00 C ATOM 292 O LEU A 21 5.593 1.448 -10.364 1.00 0.00 O ATOM 293 CB LEU A 21 5.108 -0.531 -8.182 1.00 0.00 C ATOM 294 CG LEU A 21 5.099 -1.680 -7.172 1.00 0.00 C ATOM 295 CD1 LEU A 21 4.278 -1.316 -5.934 1.00 0.00 C ATOM 296 CD2 LEU A 21 4.612 -2.977 -7.821 1.00 0.00 C ATOM 0 H LEU A 21 7.854 -0.022 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 21 6.195 -1.157 -9.872 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.001 0.407 -7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.231 -0.630 -8.822 1.00 0.00 H new ATOM 0 HG LEU A 21 6.123 -1.850 -6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.288 -2.150 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.709 -0.436 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.251 -1.102 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.615 -3.778 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.599 -2.837 -8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.274 -3.242 -8.646 1.00 0.00 H new ATOM 308 N GLN A 22 7.712 1.492 -9.574 1.00 0.00 N ATOM 309 CA GLN A 22 8.017 2.791 -10.149 1.00 0.00 C ATOM 310 C GLN A 22 7.250 3.891 -9.412 1.00 0.00 C ATOM 311 O GLN A 22 6.306 4.464 -9.954 1.00 0.00 O ATOM 312 CB GLN A 22 7.706 2.815 -11.646 1.00 0.00 C ATOM 313 CG GLN A 22 8.990 2.741 -12.474 1.00 0.00 C ATOM 314 CD GLN A 22 8.963 3.755 -13.620 1.00 0.00 C ATOM 315 OE1 GLN A 22 7.952 4.373 -13.912 1.00 0.00 O ATOM 316 NE2 GLN A 22 10.126 3.890 -14.251 1.00 0.00 N ATOM 0 H GLN A 22 8.478 1.066 -9.053 1.00 0.00 H new ATOM 0 HA GLN A 22 9.084 2.977 -10.030 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.057 1.977 -11.900 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.162 3.726 -11.893 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.851 2.933 -11.834 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.110 1.735 -12.876 1.00 0.00 H new ATOM 0 HE21 GLN A 22 10.933 3.342 -13.955 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.210 4.542 -15.031 1.00 0.00 H new ATOM 325 N LEU A 23 7.684 4.153 -8.188 1.00 0.00 N ATOM 326 CA LEU A 23 7.049 5.174 -7.371 1.00 0.00 C ATOM 327 C LEU A 23 7.970 6.392 -7.280 1.00 0.00 C ATOM 328 O LEU A 23 8.860 6.566 -8.112 1.00 0.00 O ATOM 329 CB LEU A 23 6.652 4.600 -6.010 1.00 0.00 C ATOM 330 CG LEU A 23 5.759 3.358 -6.040 1.00 0.00 C ATOM 331 CD1 LEU A 23 4.434 3.652 -6.746 1.00 0.00 C ATOM 332 CD2 LEU A 23 6.492 2.171 -6.668 1.00 0.00 C ATOM 0 H LEU A 23 8.468 3.676 -7.742 1.00 0.00 H new ATOM 0 HA LEU A 23 6.120 5.509 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.562 4.356 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.139 5.378 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 23 5.522 3.083 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.818 2.753 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.909 4.447 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.630 3.966 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.835 1.301 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.779 2.420 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.385 1.945 -6.085 1.00 0.00 H new ATOM 344 N ASN A 24 7.725 7.204 -6.262 1.00 0.00 N ATOM 345 CA ASN A 24 8.521 8.402 -6.052 1.00 0.00 C ATOM 346 C ASN A 24 8.062 9.095 -4.767 1.00 0.00 C ATOM 347 O ASN A 24 7.487 10.181 -4.815 1.00 0.00 O ATOM 348 CB ASN A 24 8.348 9.388 -7.208 1.00 0.00 C ATOM 349 CG ASN A 24 9.575 10.292 -7.346 1.00 0.00 C ATOM 350 OD1 ASN A 24 10.460 10.061 -8.154 1.00 0.00 O ATOM 351 ND2 ASN A 24 9.579 11.329 -6.515 1.00 0.00 N ATOM 0 H ASN A 24 6.987 7.056 -5.574 1.00 0.00 H new ATOM 0 HA ASN A 24 9.567 8.104 -5.986 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.189 8.840 -8.137 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.460 9.997 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.355 11.991 -6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.806 11.463 -5.863 1.00 0.00 H new ATOM 358 N LEU A 25 8.333 8.438 -3.649 1.00 0.00 N ATOM 359 CA LEU A 25 7.955 8.977 -2.354 1.00 0.00 C ATOM 360 C LEU A 25 9.162 9.674 -1.724 1.00 0.00 C ATOM 361 O LEU A 25 10.298 9.235 -1.899 1.00 0.00 O ATOM 362 CB LEU A 25 7.349 7.882 -1.473 1.00 0.00 C ATOM 363 CG LEU A 25 6.192 7.091 -2.087 1.00 0.00 C ATOM 364 CD1 LEU A 25 5.676 6.030 -1.114 1.00 0.00 C ATOM 365 CD2 LEU A 25 5.077 8.028 -2.558 1.00 0.00 C ATOM 0 H LEU A 25 8.810 7.537 -3.613 1.00 0.00 H new ATOM 0 HA LEU A 25 7.175 9.730 -2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.139 7.181 -1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.999 8.340 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 25 6.565 6.566 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.854 5.482 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.482 5.338 -0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.324 6.513 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.267 7.441 -2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.699 8.599 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.470 8.712 -3.310 1.00 0.00 H new ATOM 377 N THR A 26 8.876 10.749 -1.005 1.00 0.00 N ATOM 378 CA THR A 26 9.924 11.511 -0.348 1.00 0.00 C ATOM 379 C THR A 26 9.908 11.252 1.160 1.00 0.00 C ATOM 380 O THR A 26 10.913 11.457 1.839 1.00 0.00 O ATOM 381 CB THR A 26 9.737 12.985 -0.713 1.00 0.00 C ATOM 382 OG1 THR A 26 10.848 13.638 -0.105 1.00 0.00 O ATOM 383 CG2 THR A 26 8.518 13.608 -0.028 1.00 0.00 C ATOM 0 H THR A 26 7.933 11.111 -0.863 1.00 0.00 H new ATOM 0 HA THR A 26 10.911 11.199 -0.689 1.00 0.00 H new ATOM 0 HB THR A 26 9.634 13.080 -1.794 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.806 14.599 -0.293 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.431 14.654 -0.321 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.618 13.071 -0.328 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.636 13.543 1.054 1.00 0.00 H new ATOM 391 N LYS A 27 8.756 10.805 1.638 1.00 0.00 N ATOM 392 CA LYS A 27 8.596 10.516 3.053 1.00 0.00 C ATOM 393 C LYS A 27 8.016 9.110 3.219 1.00 0.00 C ATOM 394 O LYS A 27 7.402 8.575 2.297 1.00 0.00 O ATOM 395 CB LYS A 27 7.767 11.607 3.733 1.00 0.00 C ATOM 396 CG LYS A 27 8.318 12.997 3.407 1.00 0.00 C ATOM 397 CD LYS A 27 7.454 14.091 4.037 1.00 0.00 C ATOM 398 CE LYS A 27 7.562 14.065 5.562 1.00 0.00 C ATOM 399 NZ LYS A 27 6.606 15.020 6.166 1.00 0.00 N ATOM 0 H LYS A 27 7.925 10.636 1.071 1.00 0.00 H new ATOM 0 HA LYS A 27 9.563 10.524 3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.729 11.537 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.772 11.454 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.341 13.081 3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.353 13.134 2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.766 15.066 3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.414 13.954 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.361 13.059 5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.578 14.318 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.693 14.990 7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.816 15.981 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.637 14.761 5.892 1.00 0.00 H new ATOM 413 N ILE A 28 8.230 8.551 4.401 1.00 0.00 N ATOM 414 CA ILE A 28 7.735 7.218 4.700 1.00 0.00 C ATOM 415 C ILE A 28 6.224 7.278 4.927 1.00 0.00 C ATOM 416 O ILE A 28 5.515 6.305 4.673 1.00 0.00 O ATOM 417 CB ILE A 28 8.509 6.610 5.871 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.822 5.985 5.395 1.00 0.00 C ATOM 419 CG2 ILE A 28 7.644 5.609 6.639 1.00 0.00 C ATOM 420 CD1 ILE A 28 9.575 4.634 4.722 1.00 0.00 C ATOM 0 H ILE A 28 8.740 8.997 5.163 1.00 0.00 H new ATOM 0 HA ILE A 28 7.904 6.551 3.855 1.00 0.00 H new ATOM 0 HB ILE A 28 8.766 7.412 6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.317 6.659 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.495 5.855 6.242 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.218 5.191 7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.761 6.115 7.029 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.336 4.806 5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.525 4.212 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.103 3.955 5.432 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.921 4.771 3.861 1.00 0.00 H new ATOM 432 N GLU A 29 5.774 8.431 5.402 1.00 0.00 N ATOM 433 CA GLU A 29 4.359 8.631 5.665 1.00 0.00 C ATOM 434 C GLU A 29 3.568 8.614 4.356 1.00 0.00 C ATOM 435 O GLU A 29 2.338 8.586 4.370 1.00 0.00 O ATOM 436 CB GLU A 29 4.123 9.933 6.433 1.00 0.00 C ATOM 437 CG GLU A 29 3.437 9.663 7.773 1.00 0.00 C ATOM 438 CD GLU A 29 3.071 10.973 8.475 1.00 0.00 C ATOM 439 OE1 GLU A 29 2.573 11.876 7.768 1.00 0.00 O ATOM 440 OE2 GLU A 29 3.297 11.041 9.702 1.00 0.00 O ATOM 0 H GLU A 29 6.365 9.236 5.611 1.00 0.00 H new ATOM 0 HA GLU A 29 4.006 7.811 6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.075 10.437 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.508 10.606 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.538 9.069 7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.097 9.076 8.412 1.00 0.00 H new ATOM 447 N GLN A 30 4.305 8.633 3.256 1.00 0.00 N ATOM 448 CA GLN A 30 3.688 8.620 1.940 1.00 0.00 C ATOM 449 C GLN A 30 2.972 7.289 1.702 1.00 0.00 C ATOM 450 O GLN A 30 2.225 7.146 0.736 1.00 0.00 O ATOM 451 CB GLN A 30 4.722 8.890 0.846 1.00 0.00 C ATOM 452 CG GLN A 30 5.043 10.383 0.751 1.00 0.00 C ATOM 453 CD GLN A 30 4.173 11.064 -0.308 1.00 0.00 C ATOM 454 OE1 GLN A 30 3.079 10.626 -0.625 1.00 0.00 O ATOM 455 NE2 GLN A 30 4.718 12.157 -0.835 1.00 0.00 N ATOM 0 H GLN A 30 5.325 8.657 3.248 1.00 0.00 H new ATOM 0 HA GLN A 30 2.949 9.420 1.900 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.634 8.331 1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.344 8.534 -0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.881 10.856 1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.096 10.517 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.638 12.469 -0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.216 12.683 -1.550 1.00 0.00 H new ATOM 464 N LEU A 31 3.227 6.348 2.600 1.00 0.00 N ATOM 465 CA LEU A 31 2.617 5.034 2.500 1.00 0.00 C ATOM 466 C LEU A 31 1.333 5.007 3.331 1.00 0.00 C ATOM 467 O LEU A 31 0.919 3.952 3.808 1.00 0.00 O ATOM 468 CB LEU A 31 3.621 3.946 2.885 1.00 0.00 C ATOM 469 CG LEU A 31 5.077 4.209 2.496 1.00 0.00 C ATOM 470 CD1 LEU A 31 6.021 3.897 3.659 1.00 0.00 C ATOM 471 CD2 LEU A 31 5.454 3.438 1.229 1.00 0.00 C ATOM 0 H LEU A 31 3.848 6.470 3.400 1.00 0.00 H new ATOM 0 HA LEU A 31 2.334 4.824 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.574 3.802 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.306 3.010 2.425 1.00 0.00 H new ATOM 0 HG LEU A 31 5.184 5.270 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.049 4.093 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.768 4.527 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.919 2.849 3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.494 3.643 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.326 2.369 1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.811 3.752 0.407 1.00 0.00 H new ATOM 483 N CYS A 32 0.738 6.182 3.480 1.00 0.00 N ATOM 484 CA CYS A 32 -0.491 6.307 4.245 1.00 0.00 C ATOM 485 C CYS A 32 -1.672 6.221 3.276 1.00 0.00 C ATOM 486 O CYS A 32 -2.707 6.848 3.497 1.00 0.00 O ATOM 487 CB CYS A 32 -0.518 7.598 5.065 1.00 0.00 C ATOM 488 SG CYS A 32 -0.430 9.048 3.952 1.00 0.00 S ATOM 0 H CYS A 32 1.084 7.056 3.084 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.556 5.494 4.968 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.430 7.641 5.661 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.319 7.613 5.763 1.00 0.00 H new ATOM 0 HG CYS A 32 0.815 9.359 3.743 1.00 0.00 H new ATOM 494 N SER A 33 -1.477 5.441 2.223 1.00 0.00 N ATOM 495 CA SER A 33 -2.513 5.266 1.220 1.00 0.00 C ATOM 496 C SER A 33 -2.961 3.803 1.181 1.00 0.00 C ATOM 497 O SER A 33 -4.156 3.516 1.225 1.00 0.00 O ATOM 498 CB SER A 33 -2.023 5.707 -0.161 1.00 0.00 C ATOM 499 OG SER A 33 -0.660 5.353 -0.382 1.00 0.00 O ATOM 0 H SER A 33 -0.617 4.923 2.043 1.00 0.00 H new ATOM 0 HA SER A 33 -3.362 5.893 1.492 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.646 5.249 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.138 6.787 -0.259 1.00 0.00 H new ATOM 0 HG SER A 33 -0.385 5.650 -1.275 1.00 0.00 H new ATOM 505 N GLY A 34 -1.979 2.918 1.098 1.00 0.00 N ATOM 506 CA GLY A 34 -2.257 1.493 1.053 1.00 0.00 C ATOM 507 C GLY A 34 -2.451 1.018 -0.389 1.00 0.00 C ATOM 508 O GLY A 34 -3.423 0.328 -0.694 1.00 0.00 O ATOM 0 H GLY A 34 -0.989 3.161 1.061 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.436 0.944 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.152 1.275 1.635 1.00 0.00 H new ATOM 512 N ALA A 35 -1.511 1.406 -1.237 1.00 0.00 N ATOM 513 CA ALA A 35 -1.566 1.028 -2.639 1.00 0.00 C ATOM 514 C ALA A 35 -0.273 0.302 -3.019 1.00 0.00 C ATOM 515 O ALA A 35 -0.310 -0.836 -3.483 1.00 0.00 O ATOM 516 CB ALA A 35 -1.807 2.274 -3.495 1.00 0.00 C ATOM 0 H ALA A 35 -0.707 1.978 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.394 0.343 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.848 1.991 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.751 2.737 -3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.994 2.983 -3.342 1.00 0.00 H new ATOM 522 N ALA A 36 0.839 0.990 -2.806 1.00 0.00 N ATOM 523 CA ALA A 36 2.140 0.425 -3.120 1.00 0.00 C ATOM 524 C ALA A 36 2.147 -1.061 -2.756 1.00 0.00 C ATOM 525 O ALA A 36 2.413 -1.911 -3.605 1.00 0.00 O ATOM 526 CB ALA A 36 3.228 1.210 -2.386 1.00 0.00 C ATOM 0 H ALA A 36 0.866 1.934 -2.420 1.00 0.00 H new ATOM 0 HA ALA A 36 2.345 0.504 -4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.204 0.786 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.200 2.253 -2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.057 1.151 -1.311 1.00 0.00 H new ATOM 532 N TYR A 37 1.851 -1.329 -1.492 1.00 0.00 N ATOM 533 CA TYR A 37 1.820 -2.698 -1.005 1.00 0.00 C ATOM 534 C TYR A 37 0.983 -3.588 -1.926 1.00 0.00 C ATOM 535 O TYR A 37 1.473 -4.595 -2.436 1.00 0.00 O ATOM 536 CB TYR A 37 1.156 -2.641 0.372 1.00 0.00 C ATOM 537 CG TYR A 37 1.744 -1.578 1.303 1.00 0.00 C ATOM 538 CD1 TYR A 37 3.074 -1.639 1.666 1.00 0.00 C ATOM 539 CD2 TYR A 37 0.945 -0.559 1.779 1.00 0.00 C ATOM 540 CE1 TYR A 37 3.628 -0.640 2.542 1.00 0.00 C ATOM 541 CE2 TYR A 37 1.499 0.441 2.655 1.00 0.00 C ATOM 542 CZ TYR A 37 2.813 0.351 2.993 1.00 0.00 C ATOM 543 OH TYR A 37 3.336 1.295 3.821 1.00 0.00 O ATOM 0 H TYR A 37 1.631 -0.622 -0.791 1.00 0.00 H new ATOM 0 HA TYR A 37 2.826 -3.115 -0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.091 -2.447 0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.247 -3.617 0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.699 -2.436 1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.096 -0.511 1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.667 -0.677 2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.885 1.244 3.035 1.00 0.00 H new ATOM 0 HH TYR A 37 3.352 0.952 4.739 1.00 0.00 H new ATOM 553 N CYS A 38 -0.266 -3.186 -2.109 1.00 0.00 N ATOM 554 CA CYS A 38 -1.176 -3.935 -2.959 1.00 0.00 C ATOM 555 C CYS A 38 -0.434 -4.312 -4.243 1.00 0.00 C ATOM 556 O CYS A 38 -0.148 -5.485 -4.477 1.00 0.00 O ATOM 557 CB CYS A 38 -2.455 -3.148 -3.250 1.00 0.00 C ATOM 558 SG CYS A 38 -3.763 -3.617 -2.059 1.00 0.00 S ATOM 0 H CYS A 38 -0.669 -2.351 -1.683 1.00 0.00 H new ATOM 0 HA CYS A 38 -1.494 -4.842 -2.445 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.257 -2.078 -3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.790 -3.347 -4.268 1.00 0.00 H new ATOM 0 HG CYS A 38 -4.844 -2.941 -2.313 1.00 0.00 H new ATOM 564 N GLN A 39 -0.144 -3.295 -5.041 1.00 0.00 N ATOM 565 CA GLN A 39 0.559 -3.506 -6.295 1.00 0.00 C ATOM 566 C GLN A 39 1.677 -4.534 -6.111 1.00 0.00 C ATOM 567 O GLN A 39 1.748 -5.518 -6.846 1.00 0.00 O ATOM 568 CB GLN A 39 1.111 -2.188 -6.842 1.00 0.00 C ATOM 569 CG GLN A 39 0.791 -2.034 -8.330 1.00 0.00 C ATOM 570 CD GLN A 39 1.903 -1.274 -9.055 1.00 0.00 C ATOM 571 OE1 GLN A 39 2.104 -0.086 -8.864 1.00 0.00 O ATOM 572 NE2 GLN A 39 2.611 -2.022 -9.896 1.00 0.00 N ATOM 0 H GLN A 39 -0.383 -2.323 -4.844 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.150 -3.896 -7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.685 -1.353 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.190 -2.152 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.664 -3.018 -8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.154 -1.504 -8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.390 -3.011 -10.009 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.375 -1.606 -10.429 1.00 0.00 H new ATOM 581 N PHE A 40 2.523 -4.271 -5.126 1.00 0.00 N ATOM 582 CA PHE A 40 3.634 -5.161 -4.835 1.00 0.00 C ATOM 583 C PHE A 40 3.156 -6.608 -4.700 1.00 0.00 C ATOM 584 O PHE A 40 3.728 -7.514 -5.305 1.00 0.00 O ATOM 585 CB PHE A 40 4.234 -4.708 -3.503 1.00 0.00 C ATOM 586 CG PHE A 40 5.759 -4.586 -3.517 1.00 0.00 C ATOM 587 CD1 PHE A 40 6.510 -5.515 -4.168 1.00 0.00 C ATOM 588 CD2 PHE A 40 6.365 -3.549 -2.879 1.00 0.00 C ATOM 589 CE1 PHE A 40 7.925 -5.402 -4.181 1.00 0.00 C ATOM 590 CE2 PHE A 40 7.780 -3.436 -2.892 1.00 0.00 C ATOM 591 CZ PHE A 40 8.531 -4.365 -3.542 1.00 0.00 C ATOM 0 H PHE A 40 2.461 -3.454 -4.519 1.00 0.00 H new ATOM 0 HA PHE A 40 4.364 -5.121 -5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.805 -3.743 -3.232 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.943 -5.415 -2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.030 -6.339 -4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.769 -2.811 -2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.521 -6.140 -4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.260 -2.612 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.608 -4.280 -3.551 1.00 0.00 H new ATOM 601 N MET A 41 2.113 -6.781 -3.902 1.00 0.00 N ATOM 602 CA MET A 41 1.552 -8.102 -3.679 1.00 0.00 C ATOM 603 C MET A 41 1.197 -8.778 -5.005 1.00 0.00 C ATOM 604 O MET A 41 1.766 -9.813 -5.350 1.00 0.00 O ATOM 605 CB MET A 41 0.295 -7.984 -2.813 1.00 0.00 C ATOM 606 CG MET A 41 0.625 -8.202 -1.335 1.00 0.00 C ATOM 607 SD MET A 41 1.226 -9.864 -1.083 1.00 0.00 S ATOM 608 CE MET A 41 -0.284 -10.665 -0.568 1.00 0.00 C ATOM 0 H MET A 41 1.641 -6.028 -3.402 1.00 0.00 H new ATOM 0 HA MET A 41 2.298 -8.712 -3.170 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.153 -6.999 -2.948 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.444 -8.717 -3.136 1.00 0.00 H new ATOM 0 HG2 MET A 41 1.376 -7.482 -1.011 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.263 -8.031 -0.726 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.062 -11.390 0.215 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.979 -9.918 -0.184 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.734 -11.176 -1.419 1.00 0.00 H new ATOM 618 N ASP A 42 0.258 -8.166 -5.712 1.00 0.00 N ATOM 619 CA ASP A 42 -0.179 -8.695 -6.992 1.00 0.00 C ATOM 620 C ASP A 42 1.043 -9.123 -7.807 1.00 0.00 C ATOM 621 O ASP A 42 0.978 -10.083 -8.573 1.00 0.00 O ATOM 622 CB ASP A 42 -0.936 -7.637 -7.796 1.00 0.00 C ATOM 623 CG ASP A 42 -2.016 -8.185 -8.732 1.00 0.00 C ATOM 624 OD1 ASP A 42 -1.649 -8.550 -9.870 1.00 0.00 O ATOM 625 OD2 ASP A 42 -3.184 -8.226 -8.288 1.00 0.00 O ATOM 0 H ASP A 42 -0.212 -7.309 -5.422 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.838 -9.541 -6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.400 -6.937 -7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.218 -7.069 -8.388 1.00 0.00 H new ATOM 630 N MET A 43 2.129 -8.390 -7.614 1.00 0.00 N ATOM 631 CA MET A 43 3.365 -8.681 -8.321 1.00 0.00 C ATOM 632 C MET A 43 4.020 -9.953 -7.779 1.00 0.00 C ATOM 633 O MET A 43 4.543 -10.761 -8.544 1.00 0.00 O ATOM 634 CB MET A 43 4.331 -7.504 -8.168 1.00 0.00 C ATOM 635 CG MET A 43 4.896 -7.079 -9.525 1.00 0.00 C ATOM 636 SD MET A 43 6.239 -5.927 -9.293 1.00 0.00 S ATOM 637 CE MET A 43 7.338 -6.926 -8.304 1.00 0.00 C ATOM 0 H MET A 43 2.179 -7.594 -6.978 1.00 0.00 H new ATOM 0 HA MET A 43 3.131 -8.835 -9.374 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.815 -6.663 -7.705 1.00 0.00 H new ATOM 0 HB3 MET A 43 5.147 -7.783 -7.501 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.247 -7.954 -10.072 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.112 -6.620 -10.127 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.371 -6.671 -8.538 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.149 -6.738 -7.247 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.166 -7.980 -8.521 1.00 0.00 H new ATOM 647 N LEU A 44 3.969 -10.091 -6.462 1.00 0.00 N ATOM 648 CA LEU A 44 4.551 -11.251 -5.808 1.00 0.00 C ATOM 649 C LEU A 44 3.547 -12.405 -5.836 1.00 0.00 C ATOM 650 O LEU A 44 3.797 -13.436 -6.459 1.00 0.00 O ATOM 651 CB LEU A 44 5.032 -10.889 -4.402 1.00 0.00 C ATOM 652 CG LEU A 44 6.202 -9.906 -4.325 1.00 0.00 C ATOM 653 CD1 LEU A 44 6.527 -9.551 -2.873 1.00 0.00 C ATOM 654 CD2 LEU A 44 7.424 -10.449 -5.070 1.00 0.00 C ATOM 0 H LEU A 44 3.534 -9.419 -5.830 1.00 0.00 H new ATOM 0 HA LEU A 44 5.437 -11.586 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.192 -10.467 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.321 -11.807 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 44 5.905 -8.983 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.362 -8.851 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.655 -9.092 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.796 -10.456 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.241 -9.731 -5.000 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.732 -11.394 -4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.170 -10.608 -6.118 1.00 0.00 H new ATOM 666 N PHE A 45 2.431 -12.192 -5.155 1.00 0.00 N ATOM 667 CA PHE A 45 1.387 -13.201 -5.094 1.00 0.00 C ATOM 668 C PHE A 45 0.239 -12.861 -6.046 1.00 0.00 C ATOM 669 O PHE A 45 -0.508 -11.913 -5.811 1.00 0.00 O ATOM 670 CB PHE A 45 0.857 -13.210 -3.658 1.00 0.00 C ATOM 671 CG PHE A 45 1.916 -13.545 -2.606 1.00 0.00 C ATOM 672 CD1 PHE A 45 2.721 -12.564 -2.115 1.00 0.00 C ATOM 673 CD2 PHE A 45 2.053 -14.823 -2.161 1.00 0.00 C ATOM 674 CE1 PHE A 45 3.704 -12.874 -1.139 1.00 0.00 C ATOM 675 CE2 PHE A 45 3.036 -15.133 -1.185 1.00 0.00 C ATOM 676 CZ PHE A 45 3.841 -14.152 -0.694 1.00 0.00 C ATOM 0 H PHE A 45 2.227 -11.335 -4.640 1.00 0.00 H new ATOM 0 HA PHE A 45 1.790 -14.171 -5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.432 -12.232 -3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.046 -13.934 -3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.612 -11.549 -2.468 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.414 -15.602 -2.550 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.343 -12.095 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.145 -16.148 -0.832 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.589 -14.388 0.049 1.00 0.00 H new ATOM 686 N PRO A 46 0.132 -13.675 -7.131 1.00 0.00 N ATOM 687 CA PRO A 46 -0.912 -13.470 -8.120 1.00 0.00 C ATOM 688 C PRO A 46 -2.268 -13.939 -7.591 1.00 0.00 C ATOM 689 O PRO A 46 -2.420 -15.096 -7.202 1.00 0.00 O ATOM 690 CB PRO A 46 -0.451 -14.244 -9.344 1.00 0.00 C ATOM 691 CG PRO A 46 0.595 -15.229 -8.846 1.00 0.00 C ATOM 692 CD PRO A 46 0.999 -14.807 -7.443 1.00 0.00 C ATOM 0 HA PRO A 46 -1.061 -12.418 -8.363 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.285 -14.765 -9.814 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.031 -13.574 -10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.193 -16.242 -8.839 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.461 -15.234 -9.508 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.861 -15.620 -6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.051 -14.523 -7.403 1.00 0.00 H new ATOM 700 N GLY A 47 -3.220 -13.017 -7.594 1.00 0.00 N ATOM 701 CA GLY A 47 -4.559 -13.322 -7.119 1.00 0.00 C ATOM 702 C GLY A 47 -4.622 -13.279 -5.591 1.00 0.00 C ATOM 703 O GLY A 47 -5.269 -14.119 -4.969 1.00 0.00 O ATOM 0 H GLY A 47 -3.090 -12.059 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.268 -12.607 -7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.857 -14.309 -7.471 1.00 0.00 H new ATOM 707 N SER A 48 -3.940 -12.291 -5.030 1.00 0.00 N ATOM 708 CA SER A 48 -3.910 -12.126 -3.587 1.00 0.00 C ATOM 709 C SER A 48 -4.647 -10.845 -3.191 1.00 0.00 C ATOM 710 O SER A 48 -5.281 -10.790 -2.138 1.00 0.00 O ATOM 711 CB SER A 48 -2.472 -12.095 -3.066 1.00 0.00 C ATOM 712 OG SER A 48 -1.665 -11.165 -3.783 1.00 0.00 O ATOM 0 H SER A 48 -3.404 -11.596 -5.550 1.00 0.00 H new ATOM 0 HA SER A 48 -4.413 -12.981 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.475 -11.832 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.036 -13.091 -3.146 1.00 0.00 H new ATOM 0 HG SER A 48 -1.599 -11.443 -4.720 1.00 0.00 H new ATOM 718 N ILE A 49 -4.538 -9.847 -4.055 1.00 0.00 N ATOM 719 CA ILE A 49 -5.186 -8.570 -3.808 1.00 0.00 C ATOM 720 C ILE A 49 -6.160 -8.268 -4.949 1.00 0.00 C ATOM 721 O ILE A 49 -6.334 -9.083 -5.853 1.00 0.00 O ATOM 722 CB ILE A 49 -4.142 -7.474 -3.585 1.00 0.00 C ATOM 723 CG1 ILE A 49 -2.743 -8.073 -3.425 1.00 0.00 C ATOM 724 CG2 ILE A 49 -4.524 -6.586 -2.399 1.00 0.00 C ATOM 725 CD1 ILE A 49 -2.575 -8.713 -2.046 1.00 0.00 C ATOM 0 H ILE A 49 -4.011 -9.897 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.772 -8.612 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.121 -6.838 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.573 -8.820 -4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.992 -7.295 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.765 -5.815 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.488 -6.116 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.591 -7.193 -1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.572 -9.131 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.722 -7.958 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.311 -9.507 -1.921 1.00 0.00 H new ATOM 737 N ALA A 50 -6.770 -7.094 -4.869 1.00 0.00 N ATOM 738 CA ALA A 50 -7.722 -6.675 -5.883 1.00 0.00 C ATOM 739 C ALA A 50 -7.258 -5.353 -6.496 1.00 0.00 C ATOM 740 O ALA A 50 -7.912 -4.324 -6.332 1.00 0.00 O ATOM 741 CB ALA A 50 -9.117 -6.572 -5.262 1.00 0.00 C ATOM 0 H ALA A 50 -6.623 -6.420 -4.117 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.776 -7.410 -6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.832 -6.258 -6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.412 -7.544 -4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.102 -5.841 -4.454 1.00 0.00 H new ATOM 747 N LEU A 51 -6.131 -5.422 -7.190 1.00 0.00 N ATOM 748 CA LEU A 51 -5.572 -4.243 -7.829 1.00 0.00 C ATOM 749 C LEU A 51 -6.681 -3.496 -8.573 1.00 0.00 C ATOM 750 O LEU A 51 -6.587 -2.289 -8.785 1.00 0.00 O ATOM 751 CB LEU A 51 -4.386 -4.626 -8.717 1.00 0.00 C ATOM 752 CG LEU A 51 -3.029 -4.048 -8.310 1.00 0.00 C ATOM 753 CD1 LEU A 51 -1.954 -4.396 -9.341 1.00 0.00 C ATOM 754 CD2 LEU A 51 -3.126 -2.540 -8.070 1.00 0.00 C ATOM 0 H LEU A 51 -5.590 -6.276 -7.324 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.173 -3.558 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.306 -5.713 -8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.603 -4.308 -9.737 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.731 -4.506 -7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.999 -3.973 -9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.863 -5.479 -9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.233 -3.984 -10.311 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.148 -2.154 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.456 -2.047 -8.984 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.843 -2.344 -7.273 1.00 0.00 H new ATOM 766 N LYS A 52 -7.707 -4.247 -8.948 1.00 0.00 N ATOM 767 CA LYS A 52 -8.833 -3.671 -9.664 1.00 0.00 C ATOM 768 C LYS A 52 -9.877 -3.186 -8.657 1.00 0.00 C ATOM 769 O LYS A 52 -11.076 -3.372 -8.862 1.00 0.00 O ATOM 770 CB LYS A 52 -9.382 -4.666 -10.688 1.00 0.00 C ATOM 771 CG LYS A 52 -10.362 -5.642 -10.034 1.00 0.00 C ATOM 772 CD LYS A 52 -11.799 -5.351 -10.473 1.00 0.00 C ATOM 773 CE LYS A 52 -12.787 -5.638 -9.340 1.00 0.00 C ATOM 774 NZ LYS A 52 -13.945 -6.409 -9.845 1.00 0.00 N ATOM 0 H LYS A 52 -7.782 -5.248 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.515 -2.801 -10.238 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.883 -4.127 -11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.559 -5.220 -11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.096 -6.665 -10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.287 -5.567 -8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.885 -4.309 -10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.048 -5.961 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.289 -6.196 -8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.130 -4.700 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.606 -6.595 -9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.430 -5.863 -10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.615 -7.312 -10.242 1.00 0.00 H new ATOM 788 N LYS A 53 -9.385 -2.574 -7.590 1.00 0.00 N ATOM 789 CA LYS A 53 -10.261 -2.061 -6.550 1.00 0.00 C ATOM 790 C LYS A 53 -9.508 -1.017 -5.724 1.00 0.00 C ATOM 791 O LYS A 53 -10.048 0.044 -5.416 1.00 0.00 O ATOM 792 CB LYS A 53 -10.832 -3.209 -5.716 1.00 0.00 C ATOM 793 CG LYS A 53 -12.297 -2.951 -5.358 1.00 0.00 C ATOM 794 CD LYS A 53 -12.961 -4.217 -4.814 1.00 0.00 C ATOM 795 CE LYS A 53 -12.450 -4.545 -3.410 1.00 0.00 C ATOM 796 NZ LYS A 53 -13.136 -3.708 -2.400 1.00 0.00 N ATOM 0 H LYS A 53 -8.390 -2.422 -7.423 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.122 -1.559 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.749 -4.143 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.246 -3.327 -4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.359 -2.156 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.835 -2.605 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.042 -4.083 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.759 -5.054 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.619 -5.600 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.374 -4.377 -3.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.777 -3.943 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.954 -2.704 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.160 -3.888 -2.437 1.00 0.00 H new ATOM 810 N VAL A 54 -8.271 -1.354 -5.388 1.00 0.00 N ATOM 811 CA VAL A 54 -7.438 -0.459 -4.604 1.00 0.00 C ATOM 812 C VAL A 54 -7.516 0.951 -5.193 1.00 0.00 C ATOM 813 O VAL A 54 -7.774 1.117 -6.384 1.00 0.00 O ATOM 814 CB VAL A 54 -6.008 -0.999 -4.536 1.00 0.00 C ATOM 815 CG1 VAL A 54 -5.447 -1.244 -5.938 1.00 0.00 C ATOM 816 CG2 VAL A 54 -5.103 -0.057 -3.740 1.00 0.00 C ATOM 0 H VAL A 54 -7.826 -2.235 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.800 -0.403 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.036 -1.956 -4.015 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.430 -1.627 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.071 -1.972 -6.457 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.440 -0.308 -6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.093 -0.465 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.084 0.921 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.486 0.044 -2.725 1.00 0.00 H new ATOM 826 N LYS A 55 -7.289 1.932 -4.331 1.00 0.00 N ATOM 827 CA LYS A 55 -7.331 3.322 -4.751 1.00 0.00 C ATOM 828 C LYS A 55 -5.902 3.857 -4.872 1.00 0.00 C ATOM 829 O LYS A 55 -5.278 4.202 -3.870 1.00 0.00 O ATOM 830 CB LYS A 55 -8.216 4.140 -3.809 1.00 0.00 C ATOM 831 CG LYS A 55 -9.694 3.987 -4.174 1.00 0.00 C ATOM 832 CD LYS A 55 -10.400 5.344 -4.181 1.00 0.00 C ATOM 833 CE LYS A 55 -11.646 5.310 -5.068 1.00 0.00 C ATOM 834 NZ LYS A 55 -12.794 4.740 -4.328 1.00 0.00 N ATOM 0 H LYS A 55 -7.075 1.791 -3.344 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.789 3.409 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.056 3.815 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.932 5.191 -3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.784 3.521 -5.155 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.182 3.323 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.681 5.617 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.715 6.112 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.887 6.318 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.449 4.715 -5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.631 4.724 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.567 3.771 -4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.992 5.324 -3.491 1.00 0.00 H new ATOM 848 N PHE A 56 -5.427 3.909 -6.108 1.00 0.00 N ATOM 849 CA PHE A 56 -4.084 4.396 -6.373 1.00 0.00 C ATOM 850 C PHE A 56 -4.085 5.908 -6.607 1.00 0.00 C ATOM 851 O PHE A 56 -3.324 6.413 -7.431 1.00 0.00 O ATOM 852 CB PHE A 56 -3.597 3.696 -7.643 1.00 0.00 C ATOM 853 CG PHE A 56 -2.927 2.344 -7.391 1.00 0.00 C ATOM 854 CD1 PHE A 56 -3.447 1.488 -6.471 1.00 0.00 C ATOM 855 CD2 PHE A 56 -1.810 1.998 -8.086 1.00 0.00 C ATOM 856 CE1 PHE A 56 -2.825 0.233 -6.236 1.00 0.00 C ATOM 857 CE2 PHE A 56 -1.188 0.743 -7.852 1.00 0.00 C ATOM 858 CZ PHE A 56 -1.709 -0.113 -6.932 1.00 0.00 C ATOM 0 H PHE A 56 -5.948 3.622 -6.937 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.438 4.188 -5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.444 3.551 -8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.892 4.349 -8.158 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.334 1.763 -5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.396 2.678 -8.816 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.238 -0.446 -5.505 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.302 0.468 -8.404 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.236 -1.068 -6.754 1.00 0.00 H new ATOM 868 N GLN A 57 -4.948 6.588 -5.866 1.00 0.00 N ATOM 869 CA GLN A 57 -5.058 8.032 -5.982 1.00 0.00 C ATOM 870 C GLN A 57 -5.975 8.584 -4.890 1.00 0.00 C ATOM 871 O GLN A 57 -6.693 9.559 -5.110 1.00 0.00 O ATOM 872 CB GLN A 57 -5.556 8.434 -7.372 1.00 0.00 C ATOM 873 CG GLN A 57 -4.474 9.190 -8.146 1.00 0.00 C ATOM 874 CD GLN A 57 -4.221 10.568 -7.531 1.00 0.00 C ATOM 875 OE1 GLN A 57 -4.300 10.763 -6.329 1.00 0.00 O ATOM 876 NE2 GLN A 57 -3.914 11.508 -8.419 1.00 0.00 N ATOM 0 H GLN A 57 -5.577 6.166 -5.183 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.066 8.464 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.851 7.544 -7.928 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.444 9.059 -7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.550 8.612 -8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.778 9.303 -9.187 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.865 11.276 -9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.727 12.461 -8.108 1.00 0.00 H new ATOM 885 N ALA A 58 -5.922 7.938 -3.734 1.00 0.00 N ATOM 886 CA ALA A 58 -6.740 8.352 -2.607 1.00 0.00 C ATOM 887 C ALA A 58 -6.206 9.675 -2.054 1.00 0.00 C ATOM 888 O ALA A 58 -5.006 9.815 -1.821 1.00 0.00 O ATOM 889 CB ALA A 58 -6.755 7.243 -1.552 1.00 0.00 C ATOM 0 H ALA A 58 -5.325 7.131 -3.554 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.771 8.517 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.369 7.554 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -7.169 6.333 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.738 7.051 -1.211 1.00 0.00 H new ATOM 895 N LYS A 59 -7.123 10.611 -1.859 1.00 0.00 N ATOM 896 CA LYS A 59 -6.759 11.918 -1.338 1.00 0.00 C ATOM 897 C LYS A 59 -7.432 12.125 0.021 1.00 0.00 C ATOM 898 O LYS A 59 -7.162 13.109 0.707 1.00 0.00 O ATOM 899 CB LYS A 59 -7.084 13.011 -2.358 1.00 0.00 C ATOM 900 CG LYS A 59 -5.818 13.485 -3.075 1.00 0.00 C ATOM 901 CD LYS A 59 -6.040 13.559 -4.587 1.00 0.00 C ATOM 902 CE LYS A 59 -7.296 14.366 -4.918 1.00 0.00 C ATOM 903 NZ LYS A 59 -6.939 15.611 -5.634 1.00 0.00 N ATOM 0 H LYS A 59 -8.117 10.491 -2.052 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.683 11.977 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.799 12.631 -3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.559 13.854 -1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.528 14.466 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.996 12.804 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.173 14.017 -5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.133 12.552 -4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.969 13.767 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.832 14.608 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.804 16.147 -5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.315 16.189 -5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.448 15.374 -6.519 1.00 0.00 H new ATOM 917 N LEU A 60 -8.295 11.182 0.368 1.00 0.00 N ATOM 918 CA LEU A 60 -9.008 11.249 1.632 1.00 0.00 C ATOM 919 C LEU A 60 -8.570 10.084 2.523 1.00 0.00 C ATOM 920 O LEU A 60 -8.132 9.048 2.025 1.00 0.00 O ATOM 921 CB LEU A 60 -10.518 11.306 1.393 1.00 0.00 C ATOM 922 CG LEU A 60 -10.976 12.131 0.189 1.00 0.00 C ATOM 923 CD1 LEU A 60 -12.502 12.165 0.096 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.372 13.536 0.226 1.00 0.00 C ATOM 0 H LEU A 60 -8.517 10.367 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.757 12.168 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.885 10.287 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.992 11.711 2.287 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.610 11.647 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.801 12.758 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.883 11.149 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.912 12.612 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.713 14.102 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.687 14.044 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.284 13.465 0.208 1.00 0.00 H new ATOM 936 N GLU A 61 -8.703 10.293 3.824 1.00 0.00 N ATOM 937 CA GLU A 61 -8.326 9.274 4.788 1.00 0.00 C ATOM 938 C GLU A 61 -9.234 8.050 4.649 1.00 0.00 C ATOM 939 O GLU A 61 -8.752 6.931 4.479 1.00 0.00 O ATOM 940 CB GLU A 61 -8.366 9.826 6.215 1.00 0.00 C ATOM 941 CG GLU A 61 -6.982 9.764 6.865 1.00 0.00 C ATOM 942 CD GLU A 61 -6.916 10.667 8.099 1.00 0.00 C ATOM 943 OE1 GLU A 61 -7.859 10.582 8.915 1.00 0.00 O ATOM 944 OE2 GLU A 61 -5.924 11.420 8.199 1.00 0.00 O ATOM 0 H GLU A 61 -9.067 11.154 4.233 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.301 8.968 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.719 10.857 6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.078 9.254 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.755 8.736 7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.224 10.070 6.145 1.00 0.00 H new ATOM 951 N HIS A 62 -10.532 8.304 4.726 1.00 0.00 N ATOM 952 CA HIS A 62 -11.511 7.237 4.610 1.00 0.00 C ATOM 953 C HIS A 62 -11.069 6.250 3.529 1.00 0.00 C ATOM 954 O HIS A 62 -11.318 5.050 3.639 1.00 0.00 O ATOM 955 CB HIS A 62 -12.908 7.807 4.358 1.00 0.00 C ATOM 956 CG HIS A 62 -13.093 8.392 2.977 1.00 0.00 C ATOM 957 ND1 HIS A 62 -13.658 7.683 1.932 1.00 0.00 N ATOM 958 CD2 HIS A 62 -12.782 9.625 2.483 1.00 0.00 C ATOM 959 CE1 HIS A 62 -13.680 8.463 0.861 1.00 0.00 C ATOM 960 NE2 HIS A 62 -13.136 9.666 1.205 1.00 0.00 N ATOM 0 H HIS A 62 -10.928 9.233 4.867 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.570 6.689 5.550 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -13.644 7.017 4.508 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -13.113 8.579 5.099 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -14.000 6.723 1.978 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -12.325 10.431 3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -14.061 8.194 -0.113 1.00 0.00 H new ATOM 968 N GLU A 63 -10.422 6.791 2.507 1.00 0.00 N ATOM 969 CA GLU A 63 -9.943 5.972 1.406 1.00 0.00 C ATOM 970 C GLU A 63 -8.799 5.071 1.874 1.00 0.00 C ATOM 971 O GLU A 63 -8.899 3.847 1.803 1.00 0.00 O ATOM 972 CB GLU A 63 -9.508 6.842 0.225 1.00 0.00 C ATOM 973 CG GLU A 63 -10.486 7.998 0.006 1.00 0.00 C ATOM 974 CD GLU A 63 -11.113 7.929 -1.388 1.00 0.00 C ATOM 975 OE1 GLU A 63 -12.087 7.159 -1.534 1.00 0.00 O ATOM 976 OE2 GLU A 63 -10.605 8.647 -2.275 1.00 0.00 O ATOM 0 H GLU A 63 -10.218 7.786 2.418 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.762 5.339 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.508 7.236 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.450 6.234 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.269 7.965 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.965 8.948 0.128 1.00 0.00 H new ATOM 983 N TYR A 64 -7.737 5.710 2.342 1.00 0.00 N ATOM 984 CA TYR A 64 -6.575 4.981 2.822 1.00 0.00 C ATOM 985 C TYR A 64 -6.993 3.702 3.550 1.00 0.00 C ATOM 986 O TYR A 64 -6.385 2.650 3.361 1.00 0.00 O ATOM 987 CB TYR A 64 -5.873 5.912 3.812 1.00 0.00 C ATOM 988 CG TYR A 64 -5.460 7.259 3.215 1.00 0.00 C ATOM 989 CD1 TYR A 64 -5.425 7.425 1.845 1.00 0.00 C ATOM 990 CD2 TYR A 64 -5.122 8.308 4.046 1.00 0.00 C ATOM 991 CE1 TYR A 64 -5.036 8.693 1.284 1.00 0.00 C ATOM 992 CE2 TYR A 64 -4.733 9.575 3.484 1.00 0.00 C ATOM 993 CZ TYR A 64 -4.710 9.705 2.131 1.00 0.00 C ATOM 994 OH TYR A 64 -4.342 10.902 1.600 1.00 0.00 O ATOM 0 H TYR A 64 -7.657 6.725 2.399 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.931 4.693 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.535 6.090 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.986 5.411 4.200 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.689 6.604 1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.149 8.178 5.118 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.004 8.837 0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.465 10.404 4.123 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.138 11.532 2.323 1.00 0.00 H new ATOM 1004 N ILE A 65 -8.026 3.836 4.368 1.00 0.00 N ATOM 1005 CA ILE A 65 -8.532 2.704 5.126 1.00 0.00 C ATOM 1006 C ILE A 65 -8.825 1.546 4.170 1.00 0.00 C ATOM 1007 O ILE A 65 -8.097 0.555 4.148 1.00 0.00 O ATOM 1008 CB ILE A 65 -9.735 3.121 5.974 1.00 0.00 C ATOM 1009 CG1 ILE A 65 -9.284 3.762 7.288 1.00 0.00 C ATOM 1010 CG2 ILE A 65 -10.678 1.939 6.207 1.00 0.00 C ATOM 1011 CD1 ILE A 65 -9.500 5.276 7.262 1.00 0.00 C ATOM 0 H ILE A 65 -8.527 4.711 4.523 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.780 2.352 5.833 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.296 3.876 5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -9.839 3.326 8.119 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.230 3.544 7.460 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.525 2.263 6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -11.039 1.567 5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.143 1.144 6.727 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -9.171 5.707 8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -8.924 5.712 6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -10.559 5.490 7.114 1.00 0.00 H new ATOM 1023 N GLN A 66 -9.893 1.710 3.403 1.00 0.00 N ATOM 1024 CA GLN A 66 -10.292 0.690 2.447 1.00 0.00 C ATOM 1025 C GLN A 66 -9.066 0.136 1.720 1.00 0.00 C ATOM 1026 O GLN A 66 -8.844 -1.074 1.703 1.00 0.00 O ATOM 1027 CB GLN A 66 -11.316 1.241 1.453 1.00 0.00 C ATOM 1028 CG GLN A 66 -12.653 1.522 2.142 1.00 0.00 C ATOM 1029 CD GLN A 66 -13.365 2.711 1.494 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -14.180 2.566 0.597 1.00 0.00 O ATOM 1031 NE2 GLN A 66 -13.014 3.892 1.995 1.00 0.00 N ATOM 0 H GLN A 66 -10.494 2.534 3.424 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.766 -0.126 2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.935 2.158 1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.463 0.526 0.643 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -13.288 0.638 2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.485 1.726 3.199 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.325 3.943 2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.434 4.746 1.629 1.00 0.00 H new ATOM 1040 N ASN A 67 -8.301 1.047 1.137 1.00 0.00 N ATOM 1041 CA ASN A 67 -7.102 0.664 0.410 1.00 0.00 C ATOM 1042 C ASN A 67 -6.385 -0.453 1.171 1.00 0.00 C ATOM 1043 O ASN A 67 -6.090 -1.504 0.604 1.00 0.00 O ATOM 1044 CB ASN A 67 -6.136 1.844 0.281 1.00 0.00 C ATOM 1045 CG ASN A 67 -6.711 2.924 -0.638 1.00 0.00 C ATOM 1046 OD1 ASN A 67 -7.908 3.155 -0.695 1.00 0.00 O ATOM 1047 ND2 ASN A 67 -5.794 3.573 -1.350 1.00 0.00 N ATOM 0 H ASN A 67 -8.488 2.050 1.153 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.401 0.333 -0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.939 2.267 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.181 1.496 -0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.077 4.314 -1.991 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.808 3.330 -1.255 1.00 0.00 H new ATOM 1054 N PHE A 68 -6.125 -0.187 2.442 1.00 0.00 N ATOM 1055 CA PHE A 68 -5.447 -1.157 3.286 1.00 0.00 C ATOM 1056 C PHE A 68 -6.319 -2.394 3.508 1.00 0.00 C ATOM 1057 O PHE A 68 -5.838 -3.522 3.411 1.00 0.00 O ATOM 1058 CB PHE A 68 -5.194 -0.478 4.634 1.00 0.00 C ATOM 1059 CG PHE A 68 -3.886 0.313 4.696 1.00 0.00 C ATOM 1060 CD1 PHE A 68 -2.694 -0.338 4.631 1.00 0.00 C ATOM 1061 CD2 PHE A 68 -3.916 1.668 4.817 1.00 0.00 C ATOM 1062 CE1 PHE A 68 -1.480 0.397 4.688 1.00 0.00 C ATOM 1063 CE2 PHE A 68 -2.702 2.402 4.874 1.00 0.00 C ATOM 1064 CZ PHE A 68 -1.510 1.751 4.809 1.00 0.00 C ATOM 0 H PHE A 68 -6.371 0.686 2.908 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.520 -1.479 2.812 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.024 0.194 4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.185 -1.237 5.416 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.670 -1.414 4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.863 2.185 4.870 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.533 -0.120 4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.725 3.478 4.969 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.587 2.310 4.853 1.00 0.00 H new ATOM 1074 N LYS A 69 -7.586 -2.141 3.801 1.00 0.00 N ATOM 1075 CA LYS A 69 -8.530 -3.221 4.037 1.00 0.00 C ATOM 1076 C LYS A 69 -8.315 -4.318 2.993 1.00 0.00 C ATOM 1077 O LYS A 69 -8.303 -5.502 3.325 1.00 0.00 O ATOM 1078 CB LYS A 69 -9.961 -2.682 4.077 1.00 0.00 C ATOM 1079 CG LYS A 69 -10.119 -1.625 5.172 1.00 0.00 C ATOM 1080 CD LYS A 69 -11.564 -1.563 5.671 1.00 0.00 C ATOM 1081 CE LYS A 69 -11.644 -1.889 7.163 1.00 0.00 C ATOM 1082 NZ LYS A 69 -11.388 -0.677 7.973 1.00 0.00 N ATOM 0 H LYS A 69 -7.981 -1.204 3.880 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.356 -3.672 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.218 -2.250 3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.657 -3.502 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.453 -1.856 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.822 -0.650 4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.972 -0.569 5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.177 -2.267 5.108 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.629 -2.291 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.916 -2.661 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.659 -0.856 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.377 -0.437 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.948 0.115 7.599 1.00 0.00 H new ATOM 1096 N ILE A 70 -8.150 -3.885 1.751 1.00 0.00 N ATOM 1097 CA ILE A 70 -7.936 -4.816 0.656 1.00 0.00 C ATOM 1098 C ILE A 70 -6.586 -5.512 0.841 1.00 0.00 C ATOM 1099 O ILE A 70 -6.516 -6.740 0.867 1.00 0.00 O ATOM 1100 CB ILE A 70 -8.081 -4.102 -0.689 1.00 0.00 C ATOM 1101 CG1 ILE A 70 -9.515 -3.610 -0.898 1.00 0.00 C ATOM 1102 CG2 ILE A 70 -7.609 -4.996 -1.838 1.00 0.00 C ATOM 1103 CD1 ILE A 70 -9.621 -2.748 -2.157 1.00 0.00 C ATOM 0 H ILE A 70 -8.160 -2.902 1.479 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.699 -5.594 0.662 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.437 -3.222 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.188 -4.464 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.836 -3.034 -0.030 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.723 -4.465 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.560 -5.254 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.207 -5.907 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.650 -2.412 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.965 -1.883 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.323 -3.335 -3.026 1.00 0.00 H new ATOM 1115 N LEU A 71 -5.548 -4.698 0.964 1.00 0.00 N ATOM 1116 CA LEU A 71 -4.205 -5.220 1.145 1.00 0.00 C ATOM 1117 C LEU A 71 -4.210 -6.245 2.281 1.00 0.00 C ATOM 1118 O LEU A 71 -3.740 -7.369 2.111 1.00 0.00 O ATOM 1119 CB LEU A 71 -3.209 -4.077 1.352 1.00 0.00 C ATOM 1120 CG LEU A 71 -1.753 -4.489 1.584 1.00 0.00 C ATOM 1121 CD1 LEU A 71 -1.468 -4.678 3.075 1.00 0.00 C ATOM 1122 CD2 LEU A 71 -1.401 -5.736 0.771 1.00 0.00 C ATOM 0 H LEU A 71 -5.610 -3.680 0.942 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.874 -5.741 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.247 -3.426 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.539 -3.485 2.206 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.109 -3.683 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.427 -4.970 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.655 -3.743 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.119 -5.456 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.361 -6.008 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.049 -6.560 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.541 -5.530 -0.290 1.00 0.00 H new ATOM 1134 N GLN A 72 -4.745 -5.820 3.416 1.00 0.00 N ATOM 1135 CA GLN A 72 -4.818 -6.687 4.580 1.00 0.00 C ATOM 1136 C GLN A 72 -5.439 -8.033 4.202 1.00 0.00 C ATOM 1137 O GLN A 72 -5.018 -9.076 4.700 1.00 0.00 O ATOM 1138 CB GLN A 72 -5.602 -6.020 5.712 1.00 0.00 C ATOM 1139 CG GLN A 72 -5.761 -6.969 6.902 1.00 0.00 C ATOM 1140 CD GLN A 72 -4.820 -6.580 8.044 1.00 0.00 C ATOM 1141 OE1 GLN A 72 -5.081 -5.673 8.816 1.00 0.00 O ATOM 1142 NE2 GLN A 72 -3.714 -7.316 8.107 1.00 0.00 N ATOM 0 H GLN A 72 -5.132 -4.887 3.555 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.805 -6.865 4.940 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.087 -5.114 6.031 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.584 -5.717 5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.793 -6.948 7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.553 -7.991 6.587 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.558 -8.061 7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.022 -7.135 8.834 1.00 0.00 H new ATOM 1151 N ALA A 73 -6.429 -7.966 3.325 1.00 0.00 N ATOM 1152 CA ALA A 73 -7.112 -9.167 2.874 1.00 0.00 C ATOM 1153 C ALA A 73 -6.137 -10.034 2.076 1.00 0.00 C ATOM 1154 O ALA A 73 -6.334 -11.241 1.951 1.00 0.00 O ATOM 1155 CB ALA A 73 -8.347 -8.776 2.059 1.00 0.00 C ATOM 0 H ALA A 73 -6.775 -7.099 2.914 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.456 -9.756 3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.860 -9.676 1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.021 -8.186 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.041 -8.186 1.195 1.00 0.00 H new ATOM 1161 N GLY A 74 -5.106 -9.384 1.557 1.00 0.00 N ATOM 1162 CA GLY A 74 -4.099 -10.081 0.774 1.00 0.00 C ATOM 1163 C GLY A 74 -3.233 -10.973 1.665 1.00 0.00 C ATOM 1164 O GLY A 74 -2.551 -11.871 1.174 1.00 0.00 O ATOM 0 H GLY A 74 -4.946 -8.382 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.584 -10.687 0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.470 -9.357 0.257 1.00 0.00 H new ATOM 1168 N PHE A 75 -3.287 -10.693 2.959 1.00 0.00 N ATOM 1169 CA PHE A 75 -2.515 -11.459 3.923 1.00 0.00 C ATOM 1170 C PHE A 75 -3.312 -12.662 4.431 1.00 0.00 C ATOM 1171 O PHE A 75 -2.807 -13.784 4.447 1.00 0.00 O ATOM 1172 CB PHE A 75 -2.216 -10.527 5.098 1.00 0.00 C ATOM 1173 CG PHE A 75 -1.014 -9.607 4.873 1.00 0.00 C ATOM 1174 CD1 PHE A 75 -0.491 -9.465 3.625 1.00 0.00 C ATOM 1175 CD2 PHE A 75 -0.468 -8.933 5.920 1.00 0.00 C ATOM 1176 CE1 PHE A 75 0.624 -8.611 3.416 1.00 0.00 C ATOM 1177 CE2 PHE A 75 0.648 -8.079 5.711 1.00 0.00 C ATOM 1178 CZ PHE A 75 1.170 -7.937 4.463 1.00 0.00 C ATOM 0 H PHE A 75 -3.853 -9.947 3.362 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.603 -11.832 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.096 -9.916 5.296 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.038 -11.129 5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.924 -10.002 2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.883 -9.047 6.911 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.038 -8.497 2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.082 -7.543 6.542 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.019 -7.288 4.304 1.00 0.00 H new ATOM 1188 N LYS A 76 -4.544 -12.388 4.835 1.00 0.00 N ATOM 1189 CA LYS A 76 -5.415 -13.433 5.343 1.00 0.00 C ATOM 1190 C LYS A 76 -5.757 -14.402 4.209 1.00 0.00 C ATOM 1191 O LYS A 76 -5.865 -15.608 4.429 1.00 0.00 O ATOM 1192 CB LYS A 76 -6.643 -12.824 6.022 1.00 0.00 C ATOM 1193 CG LYS A 76 -7.837 -12.789 5.066 1.00 0.00 C ATOM 1194 CD LYS A 76 -8.978 -11.949 5.645 1.00 0.00 C ATOM 1195 CE LYS A 76 -10.264 -12.771 5.753 1.00 0.00 C ATOM 1196 NZ LYS A 76 -11.195 -12.423 4.656 1.00 0.00 N ATOM 0 H LYS A 76 -4.959 -11.456 4.821 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.906 -14.011 6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.899 -13.405 6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.413 -11.813 6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.527 -12.376 4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.187 -13.804 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.697 -11.576 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.151 -11.078 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.027 -13.834 5.714 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.741 -12.586 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.063 -12.990 4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.434 -11.412 4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.743 -12.622 3.741 1.00 0.00 H new ATOM 1210 N ARG A 77 -5.917 -13.839 3.020 1.00 0.00 N ATOM 1211 CA ARG A 77 -6.244 -14.638 1.851 1.00 0.00 C ATOM 1212 C ARG A 77 -5.189 -15.725 1.639 1.00 0.00 C ATOM 1213 O ARG A 77 -5.524 -16.898 1.483 1.00 0.00 O ATOM 1214 CB ARG A 77 -6.329 -13.767 0.596 1.00 0.00 C ATOM 1215 CG ARG A 77 -7.727 -13.165 0.440 1.00 0.00 C ATOM 1216 CD ARG A 77 -7.821 -12.317 -0.830 1.00 0.00 C ATOM 1217 NE ARG A 77 -8.952 -11.369 -0.724 1.00 0.00 N ATOM 1218 CZ ARG A 77 -9.474 -10.703 -1.763 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -8.969 -10.876 -2.992 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -10.500 -9.862 -1.573 1.00 0.00 N ATOM 0 H ARG A 77 -5.826 -12.839 2.841 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.216 -15.100 2.026 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.589 -12.968 0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.086 -14.364 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.468 -13.963 0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.961 -12.551 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.890 -11.770 -0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.957 -12.962 -1.698 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.360 -11.213 0.198 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.187 -11.515 -3.137 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.367 -10.369 -3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.884 -9.729 -0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -10.897 -9.355 -2.364 1.00 0.00 H new ATOM 1234 N MET A 78 -3.935 -15.296 1.641 1.00 0.00 N ATOM 1235 CA MET A 78 -2.829 -16.219 1.451 1.00 0.00 C ATOM 1236 C MET A 78 -2.513 -16.971 2.745 1.00 0.00 C ATOM 1237 O MET A 78 -2.697 -18.185 2.822 1.00 0.00 O ATOM 1238 CB MET A 78 -1.590 -15.444 0.996 1.00 0.00 C ATOM 1239 CG MET A 78 -1.899 -14.592 -0.237 1.00 0.00 C ATOM 1240 SD MET A 78 -2.727 -15.581 -1.471 1.00 0.00 S ATOM 1241 CE MET A 78 -1.314 -16.266 -2.320 1.00 0.00 C ATOM 0 H MET A 78 -3.661 -14.322 1.771 1.00 0.00 H new ATOM 0 HA MET A 78 -3.114 -16.946 0.691 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.239 -14.804 1.806 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.784 -16.141 0.768 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.526 -13.746 0.043 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.976 -14.182 -0.647 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.176 -15.751 -3.271 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.423 -16.138 -1.705 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.479 -17.328 -2.503 1.00 0.00 H new ATOM 1251 N GLY A 79 -2.045 -16.219 3.730 1.00 0.00 N ATOM 1252 CA GLY A 79 -1.702 -16.800 5.017 1.00 0.00 C ATOM 1253 C GLY A 79 -0.693 -15.924 5.762 1.00 0.00 C ATOM 1254 O GLY A 79 0.442 -16.338 5.994 1.00 0.00 O ATOM 0 H GLY A 79 -1.895 -15.212 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.603 -16.916 5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.286 -17.797 4.871 1.00 0.00 H new ATOM 1258 N VAL A 80 -1.143 -14.730 6.118 1.00 0.00 N ATOM 1259 CA VAL A 80 -0.294 -13.792 6.833 1.00 0.00 C ATOM 1260 C VAL A 80 -1.085 -13.169 7.984 1.00 0.00 C ATOM 1261 O VAL A 80 -2.039 -12.426 7.755 1.00 0.00 O ATOM 1262 CB VAL A 80 0.270 -12.752 5.862 1.00 0.00 C ATOM 1263 CG1 VAL A 80 1.012 -11.646 6.615 1.00 0.00 C ATOM 1264 CG2 VAL A 80 1.176 -13.410 4.819 1.00 0.00 C ATOM 0 H VAL A 80 -2.085 -14.390 5.925 1.00 0.00 H new ATOM 0 HA VAL A 80 0.562 -14.307 7.269 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.568 -12.295 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.403 -10.920 5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.326 -11.149 7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.837 -12.081 7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.563 -12.649 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.007 -13.907 5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.604 -14.144 4.251 1.00 0.00 H new ATOM 1274 N ASP A 81 -0.661 -13.493 9.196 1.00 0.00 N ATOM 1275 CA ASP A 81 -1.318 -12.974 10.383 1.00 0.00 C ATOM 1276 C ASP A 81 -0.574 -11.729 10.870 1.00 0.00 C ATOM 1277 O ASP A 81 0.030 -11.741 11.941 1.00 0.00 O ATOM 1278 CB ASP A 81 -1.306 -14.004 11.515 1.00 0.00 C ATOM 1279 CG ASP A 81 -2.335 -13.762 12.621 1.00 0.00 C ATOM 1280 OD1 ASP A 81 -2.240 -12.692 13.260 1.00 0.00 O ATOM 1281 OD2 ASP A 81 -3.193 -14.652 12.803 1.00 0.00 O ATOM 0 H ASP A 81 0.130 -14.109 9.382 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.349 -12.738 10.121 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.479 -14.992 11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.312 -14.019 11.962 1.00 0.00 H new ATOM 1286 N LYS A 82 -0.643 -10.683 10.059 1.00 0.00 N ATOM 1287 CA LYS A 82 0.016 -9.432 10.393 1.00 0.00 C ATOM 1288 C LYS A 82 -1.036 -8.333 10.553 1.00 0.00 C ATOM 1289 O LYS A 82 -1.821 -8.083 9.640 1.00 0.00 O ATOM 1290 CB LYS A 82 1.097 -9.104 9.361 1.00 0.00 C ATOM 1291 CG LYS A 82 1.510 -7.633 9.449 1.00 0.00 C ATOM 1292 CD LYS A 82 2.367 -7.377 10.690 1.00 0.00 C ATOM 1293 CE LYS A 82 2.991 -5.981 10.647 1.00 0.00 C ATOM 1294 NZ LYS A 82 3.609 -5.649 11.951 1.00 0.00 N ATOM 0 H LYS A 82 -1.145 -10.677 9.171 1.00 0.00 H new ATOM 0 HA LYS A 82 0.535 -9.518 11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.967 -9.740 9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.727 -9.322 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.067 -7.354 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.621 -7.003 9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.755 -7.478 11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.153 -8.129 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.743 -5.937 9.860 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.228 -5.243 10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.028 -4.698 11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.883 -5.671 12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.351 -6.344 12.170 1.00 0.00 H new ATOM 1308 N ILE A 83 -1.017 -7.705 11.720 1.00 0.00 N ATOM 1309 CA ILE A 83 -1.960 -6.639 12.011 1.00 0.00 C ATOM 1310 C ILE A 83 -1.486 -5.348 11.339 1.00 0.00 C ATOM 1311 O ILE A 83 -0.488 -4.759 11.751 1.00 0.00 O ATOM 1312 CB ILE A 83 -2.168 -6.505 13.521 1.00 0.00 C ATOM 1313 CG1 ILE A 83 -2.730 -7.799 14.114 1.00 0.00 C ATOM 1314 CG2 ILE A 83 -3.046 -5.295 13.848 1.00 0.00 C ATOM 1315 CD1 ILE A 83 -4.179 -8.019 13.674 1.00 0.00 C ATOM 0 H ILE A 83 -0.363 -7.914 12.475 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.941 -6.874 11.597 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.197 -6.333 13.986 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.118 -8.644 13.798 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.679 -7.757 15.202 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.178 -5.223 14.928 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.567 -4.388 13.479 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.019 -5.412 13.370 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.555 -8.945 14.109 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.793 -7.184 14.012 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.223 -8.085 12.587 1.00 0.00 H new ATOM 1327 N ILE A 84 -2.225 -4.947 10.315 1.00 0.00 N ATOM 1328 CA ILE A 84 -1.894 -3.737 9.581 1.00 0.00 C ATOM 1329 C ILE A 84 -2.471 -2.526 10.316 1.00 0.00 C ATOM 1330 O ILE A 84 -3.685 -2.419 10.486 1.00 0.00 O ATOM 1331 CB ILE A 84 -2.353 -3.850 8.126 1.00 0.00 C ATOM 1332 CG1 ILE A 84 -1.601 -4.967 7.399 1.00 0.00 C ATOM 1333 CG2 ILE A 84 -2.222 -2.507 7.404 1.00 0.00 C ATOM 1334 CD1 ILE A 84 -1.878 -4.925 5.895 1.00 0.00 C ATOM 0 H ILE A 84 -3.052 -5.439 9.976 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.813 -3.600 9.540 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.410 -4.117 8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -0.531 -4.866 7.578 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.902 -5.934 7.801 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.555 -2.615 6.372 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.838 -1.762 7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.180 -2.187 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.332 -5.729 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.946 -5.050 5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.554 -3.966 5.492 1.00 0.00 H new ATOM 1346 N PRO A 85 -1.551 -1.620 10.744 1.00 0.00 N ATOM 1347 CA PRO A 85 -1.957 -0.421 11.456 1.00 0.00 C ATOM 1348 C PRO A 85 -2.571 0.604 10.500 1.00 0.00 C ATOM 1349 O PRO A 85 -2.010 1.678 10.292 1.00 0.00 O ATOM 1350 CB PRO A 85 -0.691 0.082 12.132 1.00 0.00 C ATOM 1351 CG PRO A 85 0.464 -0.583 11.401 1.00 0.00 C ATOM 1352 CD PRO A 85 -0.106 -1.714 10.560 1.00 0.00 C ATOM 0 HA PRO A 85 -2.737 -0.613 12.192 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.620 1.168 12.069 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.684 -0.177 13.191 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.982 0.139 10.769 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.195 -0.967 12.112 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.168 -1.604 9.511 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.273 -2.682 10.889 1.00 0.00 H new ATOM 1360 N VAL A 86 -3.716 0.234 9.945 1.00 0.00 N ATOM 1361 CA VAL A 86 -4.413 1.108 9.016 1.00 0.00 C ATOM 1362 C VAL A 86 -4.856 2.375 9.749 1.00 0.00 C ATOM 1363 O VAL A 86 -4.406 3.473 9.425 1.00 0.00 O ATOM 1364 CB VAL A 86 -5.577 0.357 8.365 1.00 0.00 C ATOM 1365 CG1 VAL A 86 -6.248 1.213 7.289 1.00 0.00 C ATOM 1366 CG2 VAL A 86 -5.111 -0.982 7.789 1.00 0.00 C ATOM 0 H VAL A 86 -4.178 -0.658 10.120 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.748 1.415 8.209 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.317 0.150 9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.072 0.656 6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.631 2.129 7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.520 1.465 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.957 -1.496 7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.343 -0.806 7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.701 -1.599 8.588 1.00 0.00 H new ATOM 1376 N ASP A 87 -5.733 2.182 10.724 1.00 0.00 N ATOM 1377 CA ASP A 87 -6.241 3.296 11.506 1.00 0.00 C ATOM 1378 C ASP A 87 -5.104 4.283 11.777 1.00 0.00 C ATOM 1379 O ASP A 87 -5.336 5.485 11.898 1.00 0.00 O ATOM 1380 CB ASP A 87 -6.786 2.820 12.854 1.00 0.00 C ATOM 1381 CG ASP A 87 -7.636 3.846 13.606 1.00 0.00 C ATOM 1382 OD1 ASP A 87 -7.999 4.858 12.970 1.00 0.00 O ATOM 1383 OD2 ASP A 87 -7.902 3.594 14.801 1.00 0.00 O ATOM 0 H ASP A 87 -6.105 1.270 10.990 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.044 3.768 10.939 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.385 1.924 12.691 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.947 2.532 13.487 1.00 0.00 H new ATOM 1388 N LYS A 88 -3.899 3.739 11.866 1.00 0.00 N ATOM 1389 CA LYS A 88 -2.726 4.557 12.121 1.00 0.00 C ATOM 1390 C LYS A 88 -2.118 5.000 10.789 1.00 0.00 C ATOM 1391 O LYS A 88 -2.008 6.195 10.519 1.00 0.00 O ATOM 1392 CB LYS A 88 -1.743 3.816 13.029 1.00 0.00 C ATOM 1393 CG LYS A 88 -2.401 3.439 14.358 1.00 0.00 C ATOM 1394 CD LYS A 88 -1.450 2.614 15.227 1.00 0.00 C ATOM 1395 CE LYS A 88 -0.373 3.501 15.855 1.00 0.00 C ATOM 1396 NZ LYS A 88 -0.096 3.075 17.245 1.00 0.00 N ATOM 0 H LYS A 88 -3.710 2.742 11.766 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.004 5.462 12.661 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.387 2.916 12.527 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.871 4.443 13.216 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.695 4.343 14.892 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.312 2.871 14.169 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.014 2.110 16.012 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.980 1.838 14.623 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.541 3.448 15.263 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.699 4.541 15.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.637 3.687 17.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.966 3.148 17.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.236 2.089 17.246 1.00 0.00 H new ATOM 1410 N LEU A 89 -1.739 4.012 9.991 1.00 0.00 N ATOM 1411 CA LEU A 89 -1.146 4.285 8.693 1.00 0.00 C ATOM 1412 C LEU A 89 -1.947 5.383 7.991 1.00 0.00 C ATOM 1413 O LEU A 89 -1.371 6.292 7.394 1.00 0.00 O ATOM 1414 CB LEU A 89 -1.024 2.996 7.878 1.00 0.00 C ATOM 1415 CG LEU A 89 0.061 2.017 8.329 1.00 0.00 C ATOM 1416 CD1 LEU A 89 -0.080 0.672 7.612 1.00 0.00 C ATOM 1417 CD2 LEU A 89 1.455 2.620 8.145 1.00 0.00 C ATOM 0 H LEU A 89 -1.831 3.022 10.218 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.129 4.658 8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.984 2.481 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.835 3.264 6.838 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.071 1.829 9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.704 -0.005 7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.055 0.240 7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.011 0.822 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.208 1.903 8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.613 2.856 7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.539 3.531 8.738 1.00 0.00 H new ATOM 1429 N VAL A 90 -3.263 5.263 8.085 1.00 0.00 N ATOM 1430 CA VAL A 90 -4.149 6.235 7.466 1.00 0.00 C ATOM 1431 C VAL A 90 -4.018 7.574 8.194 1.00 0.00 C ATOM 1432 O VAL A 90 -4.099 8.633 7.573 1.00 0.00 O ATOM 1433 CB VAL A 90 -5.582 5.700 7.451 1.00 0.00 C ATOM 1434 CG1 VAL A 90 -5.681 4.418 6.622 1.00 0.00 C ATOM 1435 CG2 VAL A 90 -6.099 5.474 8.873 1.00 0.00 C ATOM 0 H VAL A 90 -3.737 4.508 8.580 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.867 6.402 6.426 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.214 6.453 6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.710 4.059 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.374 4.623 5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.029 3.657 7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.120 5.094 8.833 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.462 4.750 9.381 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.084 6.417 9.420 1.00 0.00 H new ATOM 1445 N LYS A 91 -3.818 7.484 9.501 1.00 0.00 N ATOM 1446 CA LYS A 91 -3.675 8.676 10.320 1.00 0.00 C ATOM 1447 C LYS A 91 -2.321 9.327 10.033 1.00 0.00 C ATOM 1448 O LYS A 91 -2.094 10.481 10.394 1.00 0.00 O ATOM 1449 CB LYS A 91 -3.897 8.341 11.796 1.00 0.00 C ATOM 1450 CG LYS A 91 -5.384 8.385 12.151 1.00 0.00 C ATOM 1451 CD LYS A 91 -5.592 8.254 13.661 1.00 0.00 C ATOM 1452 CE LYS A 91 -6.109 9.563 14.259 1.00 0.00 C ATOM 1453 NZ LYS A 91 -5.935 9.566 15.729 1.00 0.00 N ATOM 0 H LYS A 91 -3.752 6.604 10.013 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.441 9.408 10.065 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.497 7.350 12.012 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.350 9.048 12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.817 9.322 11.801 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.908 7.579 11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.301 7.452 13.866 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.652 7.978 14.139 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.574 10.406 13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.163 9.692 14.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.291 10.462 16.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.465 8.773 16.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.926 9.465 15.959 1.00 0.00 H new ATOM 1467 N GLY A 92 -1.456 8.559 9.387 1.00 0.00 N ATOM 1468 CA GLY A 92 -0.130 9.047 9.048 1.00 0.00 C ATOM 1469 C GLY A 92 0.796 9.008 10.265 1.00 0.00 C ATOM 1470 O GLY A 92 1.250 10.049 10.738 1.00 0.00 O ATOM 0 H GLY A 92 -1.647 7.602 9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.291 8.440 8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.199 10.068 8.672 1.00 0.00 H new ATOM 1474 N LYS A 93 1.050 7.796 10.737 1.00 0.00 N ATOM 1475 CA LYS A 93 1.914 7.608 11.890 1.00 0.00 C ATOM 1476 C LYS A 93 3.312 7.207 11.414 1.00 0.00 C ATOM 1477 O LYS A 93 3.638 6.022 11.364 1.00 0.00 O ATOM 1478 CB LYS A 93 1.290 6.614 12.871 1.00 0.00 C ATOM 1479 CG LYS A 93 0.077 7.227 13.575 1.00 0.00 C ATOM 1480 CD LYS A 93 0.402 7.566 15.031 1.00 0.00 C ATOM 1481 CE LYS A 93 -0.834 8.101 15.758 1.00 0.00 C ATOM 1482 NZ LYS A 93 -0.435 8.913 16.929 1.00 0.00 N ATOM 0 H LYS A 93 0.673 6.935 10.342 1.00 0.00 H new ATOM 0 HA LYS A 93 2.020 8.541 12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.988 5.712 12.338 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.032 6.314 13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.236 8.129 13.049 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.760 6.530 13.538 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.772 6.677 15.541 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.199 8.309 15.066 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.432 8.705 15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.461 7.270 16.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.285 9.268 17.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.116 8.326 17.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.145 9.716 16.613 1.00 0.00 H new ATOM 1496 N PHE A 94 4.101 8.217 11.078 1.00 0.00 N ATOM 1497 CA PHE A 94 5.456 7.985 10.608 1.00 0.00 C ATOM 1498 C PHE A 94 6.110 6.831 11.370 1.00 0.00 C ATOM 1499 O PHE A 94 6.902 6.078 10.805 1.00 0.00 O ATOM 1500 CB PHE A 94 6.247 9.267 10.871 1.00 0.00 C ATOM 1501 CG PHE A 94 7.760 9.109 10.710 1.00 0.00 C ATOM 1502 CD1 PHE A 94 8.331 9.245 9.484 1.00 0.00 C ATOM 1503 CD2 PHE A 94 8.534 8.833 11.794 1.00 0.00 C ATOM 1504 CE1 PHE A 94 9.736 9.098 9.335 1.00 0.00 C ATOM 1505 CE2 PHE A 94 9.938 8.686 11.645 1.00 0.00 C ATOM 1506 CZ PHE A 94 10.510 8.822 10.418 1.00 0.00 C ATOM 0 H PHE A 94 3.827 9.199 11.122 1.00 0.00 H new ATOM 0 HA PHE A 94 5.443 7.725 9.549 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.899 10.043 10.189 1.00 0.00 H new ATOM 0 HB3 PHE A 94 6.034 9.612 11.883 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.717 9.465 8.623 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.080 8.726 12.768 1.00 0.00 H new ATOM 0 HE1 PHE A 94 10.190 9.206 8.361 1.00 0.00 H new ATOM 0 HE2 PHE A 94 10.552 8.466 12.506 1.00 0.00 H new ATOM 0 HZ PHE A 94 11.578 8.711 10.304 1.00 0.00 H new ATOM 1516 N GLN A 95 5.754 6.727 12.642 1.00 0.00 N ATOM 1517 CA GLN A 95 6.297 5.678 13.488 1.00 0.00 C ATOM 1518 C GLN A 95 5.738 4.316 13.069 1.00 0.00 C ATOM 1519 O GLN A 95 6.493 3.366 12.869 1.00 0.00 O ATOM 1520 CB GLN A 95 6.008 5.958 14.964 1.00 0.00 C ATOM 1521 CG GLN A 95 6.674 4.913 15.862 1.00 0.00 C ATOM 1522 CD GLN A 95 6.287 5.123 17.327 1.00 0.00 C ATOM 1523 OE1 GLN A 95 6.884 5.905 18.048 1.00 0.00 O ATOM 1524 NE2 GLN A 95 5.256 4.382 17.725 1.00 0.00 N ATOM 0 H GLN A 95 5.096 7.352 13.107 1.00 0.00 H new ATOM 0 HA GLN A 95 7.379 5.660 13.361 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.370 6.952 15.227 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.931 5.956 15.134 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.378 3.913 15.544 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.757 4.974 15.756 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.801 3.747 17.069 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.920 4.449 18.686 1.00 0.00 H new ATOM 1533 N ASP A 96 4.419 4.265 12.949 1.00 0.00 N ATOM 1534 CA ASP A 96 3.750 3.036 12.557 1.00 0.00 C ATOM 1535 C ASP A 96 3.735 2.933 11.031 1.00 0.00 C ATOM 1536 O ASP A 96 3.065 2.067 10.471 1.00 0.00 O ATOM 1537 CB ASP A 96 2.301 3.018 13.048 1.00 0.00 C ATOM 1538 CG ASP A 96 1.961 1.884 14.016 1.00 0.00 C ATOM 1539 OD1 ASP A 96 2.253 2.058 15.219 1.00 0.00 O ATOM 1540 OD2 ASP A 96 1.416 0.868 13.532 1.00 0.00 O ATOM 0 H ASP A 96 3.796 5.055 13.116 1.00 0.00 H new ATOM 0 HA ASP A 96 4.291 2.200 13.001 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.087 3.969 13.536 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.641 2.948 12.183 1.00 0.00 H new ATOM 1545 N ASN A 97 4.480 3.830 10.402 1.00 0.00 N ATOM 1546 CA ASN A 97 4.560 3.850 8.951 1.00 0.00 C ATOM 1547 C ASN A 97 5.933 3.337 8.513 1.00 0.00 C ATOM 1548 O ASN A 97 6.063 2.731 7.451 1.00 0.00 O ATOM 1549 CB ASN A 97 4.392 5.272 8.410 1.00 0.00 C ATOM 1550 CG ASN A 97 3.065 5.421 7.664 1.00 0.00 C ATOM 1551 OD1 ASN A 97 2.893 4.954 6.550 1.00 0.00 O ATOM 1552 ND2 ASN A 97 2.138 6.097 8.338 1.00 0.00 N ATOM 0 H ASN A 97 5.033 4.548 10.870 1.00 0.00 H new ATOM 0 HA ASN A 97 3.762 3.218 8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.433 5.985 9.233 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.219 5.510 7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.218 6.251 7.925 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.347 6.461 9.267 1.00 0.00 H new ATOM 1559 N PHE A 98 6.923 3.599 9.353 1.00 0.00 N ATOM 1560 CA PHE A 98 8.282 3.171 9.066 1.00 0.00 C ATOM 1561 C PHE A 98 8.585 1.827 9.731 1.00 0.00 C ATOM 1562 O PHE A 98 9.351 1.026 9.198 1.00 0.00 O ATOM 1563 CB PHE A 98 9.217 4.235 9.644 1.00 0.00 C ATOM 1564 CG PHE A 98 10.685 4.054 9.250 1.00 0.00 C ATOM 1565 CD1 PHE A 98 11.365 2.948 9.655 1.00 0.00 C ATOM 1566 CD2 PHE A 98 11.308 4.998 8.496 1.00 0.00 C ATOM 1567 CE1 PHE A 98 12.727 2.780 9.289 1.00 0.00 C ATOM 1568 CE2 PHE A 98 12.670 4.829 8.130 1.00 0.00 C ATOM 1569 CZ PHE A 98 13.351 3.724 8.535 1.00 0.00 C ATOM 0 H PHE A 98 6.811 4.103 10.233 1.00 0.00 H new ATOM 0 HA PHE A 98 8.416 3.052 7.991 1.00 0.00 H new ATOM 0 HB2 PHE A 98 8.881 5.218 9.313 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.139 4.221 10.731 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.870 2.198 10.254 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.768 5.876 8.175 1.00 0.00 H new ATOM 0 HE1 PHE A 98 13.268 1.902 9.610 1.00 0.00 H new ATOM 0 HE2 PHE A 98 13.165 5.578 7.530 1.00 0.00 H new ATOM 0 HZ PHE A 98 14.387 3.596 8.258 1.00 0.00 H new ATOM 1579 N GLU A 99 7.970 1.622 10.886 1.00 0.00 N ATOM 1580 CA GLU A 99 8.164 0.389 11.629 1.00 0.00 C ATOM 1581 C GLU A 99 7.287 -0.724 11.051 1.00 0.00 C ATOM 1582 O GLU A 99 7.449 -1.892 11.401 1.00 0.00 O ATOM 1583 CB GLU A 99 7.878 0.595 13.118 1.00 0.00 C ATOM 1584 CG GLU A 99 8.779 1.684 13.704 1.00 0.00 C ATOM 1585 CD GLU A 99 8.641 1.749 15.226 1.00 0.00 C ATOM 1586 OE1 GLU A 99 8.889 0.702 15.864 1.00 0.00 O ATOM 1587 OE2 GLU A 99 8.292 2.843 15.719 1.00 0.00 O ATOM 0 H GLU A 99 7.337 2.290 11.326 1.00 0.00 H new ATOM 0 HA GLU A 99 9.208 0.090 11.531 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.832 0.870 13.256 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.036 -0.340 13.655 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.817 1.485 13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.518 2.649 13.270 1.00 0.00 H new ATOM 1594 N PHE A 100 6.377 -0.321 10.176 1.00 0.00 N ATOM 1595 CA PHE A 100 5.475 -1.270 9.546 1.00 0.00 C ATOM 1596 C PHE A 100 5.987 -1.680 8.164 1.00 0.00 C ATOM 1597 O PHE A 100 5.793 -2.818 7.738 1.00 0.00 O ATOM 1598 CB PHE A 100 4.125 -0.565 9.387 1.00 0.00 C ATOM 1599 CG PHE A 100 3.245 -1.149 8.281 1.00 0.00 C ATOM 1600 CD1 PHE A 100 3.452 -0.789 6.986 1.00 0.00 C ATOM 1601 CD2 PHE A 100 2.255 -2.029 8.592 1.00 0.00 C ATOM 1602 CE1 PHE A 100 2.635 -1.331 5.959 1.00 0.00 C ATOM 1603 CE2 PHE A 100 1.438 -2.571 7.565 1.00 0.00 C ATOM 1604 CZ PHE A 100 1.645 -2.210 6.270 1.00 0.00 C ATOM 0 H PHE A 100 6.245 0.649 9.889 1.00 0.00 H new ATOM 0 HA PHE A 100 5.396 -2.170 10.156 1.00 0.00 H new ATOM 0 HB2 PHE A 100 3.585 -0.618 10.333 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.300 0.490 9.179 1.00 0.00 H new ATOM 0 HD1 PHE A 100 4.238 -0.091 6.739 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.091 -2.315 9.620 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.800 -1.045 4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 100 0.652 -3.270 7.812 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.023 -2.621 5.489 1.00 0.00 H new ATOM 1614 N VAL A 101 6.633 -0.732 7.502 1.00 0.00 N ATOM 1615 CA VAL A 101 7.176 -0.980 6.177 1.00 0.00 C ATOM 1616 C VAL A 101 8.465 -1.794 6.303 1.00 0.00 C ATOM 1617 O VAL A 101 8.739 -2.661 5.475 1.00 0.00 O ATOM 1618 CB VAL A 101 7.374 0.343 5.436 1.00 0.00 C ATOM 1619 CG1 VAL A 101 8.339 1.257 6.195 1.00 0.00 C ATOM 1620 CG2 VAL A 101 7.858 0.103 4.005 1.00 0.00 C ATOM 0 H VAL A 101 6.793 0.210 7.859 1.00 0.00 H new ATOM 0 HA VAL A 101 6.477 -1.568 5.582 1.00 0.00 H new ATOM 0 HB VAL A 101 6.408 0.845 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.463 2.191 5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 101 7.937 1.468 7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.306 0.764 6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.991 1.060 3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 101 8.808 -0.431 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.120 -0.492 3.466 1.00 0.00 H new ATOM 1630 N GLN A 102 9.222 -1.486 7.346 1.00 0.00 N ATOM 1631 CA GLN A 102 10.475 -2.179 7.591 1.00 0.00 C ATOM 1632 C GLN A 102 10.224 -3.674 7.800 1.00 0.00 C ATOM 1633 O GLN A 102 11.084 -4.499 7.495 1.00 0.00 O ATOM 1634 CB GLN A 102 11.211 -1.574 8.789 1.00 0.00 C ATOM 1635 CG GLN A 102 10.548 -1.987 10.105 1.00 0.00 C ATOM 1636 CD GLN A 102 11.516 -1.830 11.279 1.00 0.00 C ATOM 1637 OE1 GLN A 102 12.701 -1.591 11.113 1.00 0.00 O ATOM 1638 NE2 GLN A 102 10.947 -1.976 12.472 1.00 0.00 N ATOM 0 H GLN A 102 8.992 -0.766 8.031 1.00 0.00 H new ATOM 0 HA GLN A 102 11.112 -2.057 6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 102 12.251 -1.900 8.784 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.217 -0.487 8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.661 -1.377 10.276 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.215 -3.023 10.039 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.949 -2.175 12.540 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.509 -1.889 13.319 1.00 0.00 H new ATOM 1647 N TRP A 103 9.043 -3.976 8.318 1.00 0.00 N ATOM 1648 CA TRP A 103 8.668 -5.357 8.571 1.00 0.00 C ATOM 1649 C TRP A 103 8.163 -5.958 7.257 1.00 0.00 C ATOM 1650 O TRP A 103 8.539 -7.071 6.894 1.00 0.00 O ATOM 1651 CB TRP A 103 7.644 -5.448 9.703 1.00 0.00 C ATOM 1652 CG TRP A 103 6.989 -6.825 9.841 1.00 0.00 C ATOM 1653 CD1 TRP A 103 7.305 -7.806 10.697 1.00 0.00 C ATOM 1654 CD2 TRP A 103 5.887 -7.334 9.061 1.00 0.00 C ATOM 1655 NE1 TRP A 103 6.491 -8.907 10.526 1.00 0.00 N ATOM 1656 CE2 TRP A 103 5.601 -8.611 9.500 1.00 0.00 C ATOM 1657 CE3 TRP A 103 5.156 -6.737 8.020 1.00 0.00 C ATOM 1658 CZ2 TRP A 103 4.581 -9.399 8.954 1.00 0.00 C ATOM 1659 CZ3 TRP A 103 4.140 -7.537 7.484 1.00 0.00 C ATOM 1660 CH2 TRP A 103 3.839 -8.824 7.915 1.00 0.00 C ATOM 0 H TRP A 103 8.333 -3.288 8.570 1.00 0.00 H new ATOM 0 HA TRP A 103 9.528 -5.935 8.910 1.00 0.00 H new ATOM 0 HB2 TRP A 103 8.134 -5.194 10.643 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.867 -4.702 9.537 1.00 0.00 H new ATOM 0 HD1 TRP A 103 8.097 -7.743 11.429 1.00 0.00 H new ATOM 0 HE1 TRP A 103 6.534 -9.778 11.055 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.362 -5.739 7.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 4.377 -10.396 9.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.549 -7.126 6.679 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.037 -9.378 7.451 1.00 0.00 H new ATOM 1671 N PHE A 104 7.317 -5.194 6.581 1.00 0.00 N ATOM 1672 CA PHE A 104 6.756 -5.637 5.316 1.00 0.00 C ATOM 1673 C PHE A 104 7.859 -6.073 4.350 1.00 0.00 C ATOM 1674 O PHE A 104 7.741 -7.106 3.693 1.00 0.00 O ATOM 1675 CB PHE A 104 6.009 -4.444 4.716 1.00 0.00 C ATOM 1676 CG PHE A 104 4.493 -4.633 4.638 1.00 0.00 C ATOM 1677 CD1 PHE A 104 3.741 -4.569 5.770 1.00 0.00 C ATOM 1678 CD2 PHE A 104 3.897 -4.866 3.438 1.00 0.00 C ATOM 1679 CE1 PHE A 104 2.334 -4.744 5.698 1.00 0.00 C ATOM 1680 CE2 PHE A 104 2.490 -5.041 3.366 1.00 0.00 C ATOM 1681 CZ PHE A 104 1.738 -4.977 4.498 1.00 0.00 C ATOM 0 H PHE A 104 7.007 -4.271 6.886 1.00 0.00 H new ATOM 0 HA PHE A 104 6.096 -6.489 5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.224 -3.557 5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.393 -4.255 3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.214 -4.385 6.723 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.494 -4.918 2.540 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.737 -4.692 6.596 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.017 -5.225 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 104 0.668 -5.111 4.444 1.00 0.00 H new ATOM 1691 N LYS A 105 8.906 -5.263 4.294 1.00 0.00 N ATOM 1692 CA LYS A 105 10.029 -5.551 3.419 1.00 0.00 C ATOM 1693 C LYS A 105 10.670 -6.876 3.838 1.00 0.00 C ATOM 1694 O LYS A 105 10.720 -7.822 3.052 1.00 0.00 O ATOM 1695 CB LYS A 105 11.008 -4.375 3.397 1.00 0.00 C ATOM 1696 CG LYS A 105 12.168 -4.645 2.436 1.00 0.00 C ATOM 1697 CD LYS A 105 12.847 -3.339 2.017 1.00 0.00 C ATOM 1698 CE LYS A 105 14.367 -3.443 2.155 1.00 0.00 C ATOM 1699 NZ LYS A 105 14.957 -2.109 2.404 1.00 0.00 N ATOM 0 H LYS A 105 9.000 -4.407 4.841 1.00 0.00 H new ATOM 0 HA LYS A 105 9.688 -5.671 2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.485 -3.467 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 105 11.396 -4.201 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 105 12.896 -5.301 2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 105 11.800 -5.167 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 105 12.587 -3.105 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 105 12.478 -2.519 2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 105 14.618 -4.117 2.974 1.00 0.00 H new ATOM 0 HE3 LYS A 105 14.792 -3.872 1.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 15.880 -2.219 2.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 15.083 -1.611 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 14.323 -1.558 3.018 1.00 0.00 H new ATOM 1713 N LYS A 106 11.143 -6.903 5.075 1.00 0.00 N ATOM 1714 CA LYS A 106 11.778 -8.096 5.608 1.00 0.00 C ATOM 1715 C LYS A 106 10.994 -9.330 5.156 1.00 0.00 C ATOM 1716 O LYS A 106 11.538 -10.201 4.478 1.00 0.00 O ATOM 1717 CB LYS A 106 11.933 -7.988 7.126 1.00 0.00 C ATOM 1718 CG LYS A 106 13.409 -8.000 7.529 1.00 0.00 C ATOM 1719 CD LYS A 106 14.122 -6.738 7.039 1.00 0.00 C ATOM 1720 CE LYS A 106 13.793 -5.541 7.932 1.00 0.00 C ATOM 1721 NZ LYS A 106 15.012 -5.052 8.613 1.00 0.00 N ATOM 0 H LYS A 106 11.099 -6.117 5.724 1.00 0.00 H new ATOM 0 HA LYS A 106 12.789 -8.198 5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.464 -7.070 7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 106 11.414 -8.817 7.608 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.493 -8.071 8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 106 13.896 -8.882 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 106 15.199 -6.905 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.825 -6.523 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.359 -4.741 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.046 -5.827 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.771 -4.239 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 15.410 -5.812 9.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 15.713 -4.760 7.903 1.00 0.00 H new ATOM 1735 N PHE A 107 9.730 -9.366 5.551 1.00 0.00 N ATOM 1736 CA PHE A 107 8.867 -10.479 5.195 1.00 0.00 C ATOM 1737 C PHE A 107 8.870 -10.715 3.683 1.00 0.00 C ATOM 1738 O PHE A 107 8.998 -11.850 3.228 1.00 0.00 O ATOM 1739 CB PHE A 107 7.450 -10.106 5.638 1.00 0.00 C ATOM 1740 CG PHE A 107 6.553 -11.310 5.933 1.00 0.00 C ATOM 1741 CD1 PHE A 107 6.690 -11.989 7.103 1.00 0.00 C ATOM 1742 CD2 PHE A 107 5.619 -11.701 5.025 1.00 0.00 C ATOM 1743 CE1 PHE A 107 5.857 -13.106 7.378 1.00 0.00 C ATOM 1744 CE2 PHE A 107 4.787 -12.818 5.299 1.00 0.00 C ATOM 1745 CZ PHE A 107 4.923 -13.497 6.470 1.00 0.00 C ATOM 0 H PHE A 107 9.283 -8.642 6.114 1.00 0.00 H new ATOM 0 HA PHE A 107 9.218 -11.391 5.678 1.00 0.00 H new ATOM 0 HB2 PHE A 107 7.511 -9.484 6.531 1.00 0.00 H new ATOM 0 HB3 PHE A 107 6.984 -9.501 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 107 7.432 -11.679 7.823 1.00 0.00 H new ATOM 0 HD2 PHE A 107 5.510 -11.162 4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.965 -13.645 8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.046 -13.129 4.578 1.00 0.00 H new ATOM 0 HZ PHE A 107 4.289 -14.346 6.679 1.00 0.00 H new ATOM 1755 N PHE A 108 8.728 -9.623 2.946 1.00 0.00 N ATOM 1756 CA PHE A 108 8.714 -9.696 1.495 1.00 0.00 C ATOM 1757 C PHE A 108 10.005 -10.323 0.964 1.00 0.00 C ATOM 1758 O PHE A 108 9.995 -10.994 -0.066 1.00 0.00 O ATOM 1759 CB PHE A 108 8.607 -8.261 0.976 1.00 0.00 C ATOM 1760 CG PHE A 108 7.188 -7.845 0.582 1.00 0.00 C ATOM 1761 CD1 PHE A 108 6.165 -7.996 1.466 1.00 0.00 C ATOM 1762 CD2 PHE A 108 6.949 -7.326 -0.652 1.00 0.00 C ATOM 1763 CE1 PHE A 108 4.848 -7.610 1.101 1.00 0.00 C ATOM 1764 CE2 PHE A 108 5.632 -6.941 -1.017 1.00 0.00 C ATOM 1765 CZ PHE A 108 4.610 -7.091 -0.133 1.00 0.00 C ATOM 0 H PHE A 108 8.622 -8.683 3.327 1.00 0.00 H new ATOM 0 HA PHE A 108 7.879 -10.313 1.162 1.00 0.00 H new ATOM 0 HB2 PHE A 108 8.974 -7.580 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 108 9.261 -8.149 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.354 -8.410 2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 108 7.761 -7.207 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.036 -7.729 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 108 5.442 -6.529 -1.997 1.00 0.00 H new ATOM 0 HZ PHE A 108 3.608 -6.798 -0.411 1.00 0.00 H new ATOM 1775 N ASP A 109 11.085 -10.081 1.693 1.00 0.00 N ATOM 1776 CA ASP A 109 12.381 -10.613 1.308 1.00 0.00 C ATOM 1777 C ASP A 109 12.696 -11.843 2.163 1.00 0.00 C ATOM 1778 O ASP A 109 13.862 -12.148 2.411 1.00 0.00 O ATOM 1779 CB ASP A 109 13.489 -9.583 1.536 1.00 0.00 C ATOM 1780 CG ASP A 109 14.273 -9.189 0.282 1.00 0.00 C ATOM 1781 OD1 ASP A 109 14.173 -9.944 -0.710 1.00 0.00 O ATOM 1782 OD2 ASP A 109 14.954 -8.143 0.344 1.00 0.00 O ATOM 0 H ASP A 109 11.089 -9.524 2.547 1.00 0.00 H new ATOM 0 HA ASP A 109 12.340 -10.870 0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.047 -8.685 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.187 -9.980 2.273 1.00 0.00 H new ATOM 1787 N SER A 110 11.637 -12.515 2.589 1.00 0.00 N ATOM 1788 CA SER A 110 11.786 -13.705 3.410 1.00 0.00 C ATOM 1789 C SER A 110 12.775 -14.671 2.756 1.00 0.00 C ATOM 1790 O SER A 110 12.595 -15.065 1.605 1.00 0.00 O ATOM 1791 CB SER A 110 10.438 -14.394 3.632 1.00 0.00 C ATOM 1792 OG SER A 110 9.970 -14.233 4.968 1.00 0.00 O ATOM 0 H SER A 110 10.672 -12.258 2.381 1.00 0.00 H new ATOM 0 HA SER A 110 12.173 -13.403 4.383 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.703 -13.985 2.939 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.532 -15.456 3.406 1.00 0.00 H new ATOM 0 HG SER A 110 9.107 -14.685 5.069 1.00 0.00 H new ATOM 1798 N GLY A 111 13.799 -15.026 3.519 1.00 0.00 N ATOM 1799 CA GLY A 111 14.817 -15.939 3.028 1.00 0.00 C ATOM 1800 C GLY A 111 14.212 -17.301 2.683 1.00 0.00 C ATOM 1801 O GLY A 111 14.135 -17.673 1.513 1.00 0.00 O ATOM 0 H GLY A 111 13.945 -14.698 4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 111 15.295 -15.515 2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 111 15.594 -16.063 3.782 1.00 0.00 H new ATOM 1805 N PRO A 112 13.786 -18.027 3.751 1.00 0.00 N ATOM 1806 CA PRO A 112 13.189 -19.340 3.574 1.00 0.00 C ATOM 1807 C PRO A 112 11.761 -19.226 3.038 1.00 0.00 C ATOM 1808 O PRO A 112 11.197 -18.133 2.991 1.00 0.00 O ATOM 1809 CB PRO A 112 13.259 -19.993 4.945 1.00 0.00 C ATOM 1810 CG PRO A 112 13.463 -18.859 5.936 1.00 0.00 C ATOM 1811 CD PRO A 112 13.860 -17.619 5.151 1.00 0.00 C ATOM 0 HA PRO A 112 13.714 -19.944 2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 112 12.343 -20.543 5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 112 14.080 -20.708 4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.549 -18.677 6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 112 14.237 -19.118 6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 112 13.186 -16.787 5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 112 14.865 -17.288 5.415 1.00 0.00 H new ATOM 1819 N SER A 113 11.216 -20.368 2.647 1.00 0.00 N ATOM 1820 CA SER A 113 9.864 -20.410 2.116 1.00 0.00 C ATOM 1821 C SER A 113 9.649 -19.252 1.140 1.00 0.00 C ATOM 1822 O SER A 113 9.150 -18.196 1.524 1.00 0.00 O ATOM 1823 CB SER A 113 8.829 -20.355 3.241 1.00 0.00 C ATOM 1824 OG SER A 113 7.526 -20.710 2.786 1.00 0.00 O ATOM 0 H SER A 113 11.686 -21.272 2.687 1.00 0.00 H new ATOM 0 HA SER A 113 9.734 -21.353 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.129 -21.029 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.805 -19.350 3.662 1.00 0.00 H new ATOM 0 HG SER A 113 6.895 -20.664 3.534 1.00 0.00 H new ATOM 1830 N SER A 114 10.037 -19.489 -0.105 1.00 0.00 N ATOM 1831 CA SER A 114 9.893 -18.479 -1.139 1.00 0.00 C ATOM 1832 C SER A 114 9.849 -19.143 -2.516 1.00 0.00 C ATOM 1833 O SER A 114 10.352 -20.251 -2.692 1.00 0.00 O ATOM 1834 CB SER A 114 11.034 -17.461 -1.077 1.00 0.00 C ATOM 1835 OG SER A 114 10.573 -16.129 -1.287 1.00 0.00 O ATOM 0 H SER A 114 10.451 -20.366 -0.420 1.00 0.00 H new ATOM 0 HA SER A 114 8.957 -17.947 -0.969 1.00 0.00 H new ATOM 0 HB2 SER A 114 11.525 -17.526 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 114 11.782 -17.709 -1.830 1.00 0.00 H new ATOM 0 HG SER A 114 11.330 -15.509 -1.238 1.00 0.00 H new ATOM 1841 N GLY A 115 9.242 -18.437 -3.459 1.00 0.00 N ATOM 1842 CA GLY A 115 9.125 -18.944 -4.816 1.00 0.00 C ATOM 1843 C GLY A 115 7.988 -18.248 -5.565 1.00 0.00 C ATOM 1844 O GLY A 115 8.228 -17.348 -6.369 1.00 0.00 O ATOM 0 H GLY A 115 8.826 -17.518 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.064 -18.790 -5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.945 -20.019 -4.792 1.00 0.00 H new TER 1848 GLY A 115