USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 846 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 106 TYR OH : rot -78:sc= 0.45 USER MOD Set 1.2: A 108 GLN :FLIP amide:sc= 0.409 F(o=0,f=0.86) USER MOD Set 2.1: A 20 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.8!) USER MOD Set 2.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 139:sc= -0.144 (180deg=-0.469) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.864 (180deg=0.489) USER MOD Single : A 4 MET CE :methyl -147:sc= -0.398 (180deg=-1.82) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= 0.226 (180deg=-0.0325) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 19 SER OG : rot -20:sc= 0.345 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -156:sc= -0.136 (180deg=-0.576) USER MOD Single : A 29 GLN : amide:sc= -2.18 K(o=-2.2,f=-3.5!) USER MOD Single : A 31 TYR OH : rot 173:sc= 0.222 USER MOD Single : A 32 MET CE :methyl 165:sc= -0.086 (180deg=-0.404) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 42 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=-0.46) USER MOD Single : A 45 GLN : amide:sc= -0.25 K(o=-0.25,f=-4!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.0833 (180deg=-0.374) USER MOD Single : A 64 SER OG : rot -139:sc= -1.54 USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 90:sc= -0.973 USER MOD Single : A 82 SER OG : rot -75:sc= 0.36 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.565 X(o=-0.57,f=-0.87) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= -0.0455 (180deg=-0.266) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -76:sc= 0.486 USER MOD Single : A 102 LYS NZ :NH3+ -138:sc= 0.171 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.808 16.221 -5.286 1.00 0.00 N ATOM 2 CA MET A 1 8.804 15.819 -6.314 1.00 0.00 C ATOM 3 C MET A 1 10.192 15.636 -5.702 1.00 0.00 C ATOM 4 O MET A 1 10.974 16.589 -5.609 1.00 0.00 O ATOM 5 CB MET A 1 8.843 16.889 -7.418 1.00 0.00 C ATOM 6 CG MET A 1 7.749 16.765 -8.481 1.00 0.00 C ATOM 7 SD MET A 1 6.077 17.037 -7.853 1.00 0.00 S ATOM 8 CE MET A 1 5.507 15.352 -7.640 1.00 0.00 C ATOM 0 H1 MET A 1 6.965 16.612 -5.753 1.00 0.00 H new ATOM 0 H2 MET A 1 7.537 15.390 -4.722 1.00 0.00 H new ATOM 0 H3 MET A 1 8.224 16.942 -4.663 1.00 0.00 H new ATOM 0 HA MET A 1 8.505 14.860 -6.738 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.766 17.872 -6.953 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.814 16.845 -7.911 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.948 17.482 -9.277 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.801 15.772 -8.927 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.945 15.273 -6.709 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.864 15.077 -8.476 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.364 14.680 -7.605 1.00 0.00 H new ATOM 20 N GLY A 2 10.492 14.403 -5.289 1.00 0.00 N ATOM 21 CA GLY A 2 11.786 14.107 -4.698 1.00 0.00 C ATOM 22 C GLY A 2 11.829 12.750 -4.013 1.00 0.00 C ATOM 23 O GLY A 2 10.785 12.115 -3.849 1.00 0.00 O ATOM 0 H GLY A 2 9.860 13.605 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.550 14.140 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 2 12.034 14.882 -3.973 1.00 0.00 H new ATOM 27 N PRO A 3 13.031 12.269 -3.594 1.00 0.00 N ATOM 28 CA PRO A 3 13.175 10.982 -2.926 1.00 0.00 C ATOM 29 C PRO A 3 12.874 11.069 -1.433 1.00 0.00 C ATOM 30 O PRO A 3 12.784 12.165 -0.871 1.00 0.00 O ATOM 31 CB PRO A 3 14.641 10.602 -3.165 1.00 0.00 C ATOM 32 CG PRO A 3 15.317 11.804 -3.746 1.00 0.00 C ATOM 33 CD PRO A 3 14.334 12.938 -3.733 1.00 0.00 C ATOM 0 HA PRO A 3 12.472 10.245 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.119 10.305 -2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.713 9.753 -3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.203 12.061 -3.166 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.650 11.600 -4.764 1.00 0.00 H new ATOM 0 HD2 PRO A 3 14.523 13.622 -2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 3 14.387 13.524 -4.650 1.00 0.00 H new ATOM 41 N MET A 4 12.700 9.906 -0.803 1.00 0.00 N ATOM 42 CA MET A 4 12.387 9.832 0.623 1.00 0.00 C ATOM 43 C MET A 4 12.876 8.488 1.211 1.00 0.00 C ATOM 44 O MET A 4 13.306 7.618 0.450 1.00 0.00 O ATOM 45 CB MET A 4 10.861 10.002 0.820 1.00 0.00 C ATOM 46 CG MET A 4 10.037 8.735 0.567 1.00 0.00 C ATOM 47 SD MET A 4 10.083 8.195 -1.149 1.00 0.00 S ATOM 48 CE MET A 4 9.397 9.650 -1.913 1.00 0.00 C ATOM 0 H MET A 4 12.771 8.998 -1.262 1.00 0.00 H new ATOM 0 HA MET A 4 12.902 10.634 1.152 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.676 10.342 1.839 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.508 10.788 0.153 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.410 7.933 1.204 1.00 0.00 H new ATOM 0 HG3 MET A 4 9.002 8.918 0.857 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.817 9.362 -2.789 1.00 0.00 H new ATOM 0 HE2 MET A 4 8.750 10.163 -1.202 1.00 0.00 H new ATOM 0 HE3 MET A 4 10.204 10.317 -2.216 1.00 0.00 H new ATOM 58 N PRO A 5 12.806 8.280 2.563 1.00 0.00 N ATOM 59 CA PRO A 5 13.232 7.018 3.184 1.00 0.00 C ATOM 60 C PRO A 5 12.339 5.853 2.762 1.00 0.00 C ATOM 61 O PRO A 5 11.115 5.992 2.694 1.00 0.00 O ATOM 62 CB PRO A 5 13.096 7.287 4.686 1.00 0.00 C ATOM 63 CG PRO A 5 12.090 8.377 4.792 1.00 0.00 C ATOM 64 CD PRO A 5 12.296 9.232 3.579 1.00 0.00 C ATOM 0 HA PRO A 5 14.242 6.733 2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.768 6.394 5.219 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.049 7.586 5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.077 7.975 4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.231 8.953 5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.367 9.702 3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.009 10.034 3.770 1.00 0.00 H new ATOM 72 N LYS A 6 12.967 4.715 2.464 1.00 0.00 N ATOM 73 CA LYS A 6 12.248 3.518 2.029 1.00 0.00 C ATOM 74 C LYS A 6 11.381 2.951 3.151 1.00 0.00 C ATOM 75 O LYS A 6 11.859 2.737 4.268 1.00 0.00 O ATOM 76 CB LYS A 6 13.243 2.458 1.549 1.00 0.00 C ATOM 77 CG LYS A 6 14.156 2.945 0.430 1.00 0.00 C ATOM 78 CD LYS A 6 15.093 1.852 -0.075 1.00 0.00 C ATOM 79 CE LYS A 6 16.193 1.524 0.928 1.00 0.00 C ATOM 80 NZ LYS A 6 17.104 0.460 0.425 1.00 0.00 N ATOM 0 H LYS A 6 13.979 4.597 2.517 1.00 0.00 H new ATOM 0 HA LYS A 6 11.591 3.799 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.854 2.136 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.692 1.584 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.548 3.310 -0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.746 3.789 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.517 0.951 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.544 2.169 -1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.769 2.424 1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.743 1.203 1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.838 0.266 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.559 -0.407 0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.553 0.776 -0.458 1.00 0.00 H new ATOM 94 N LEU A 7 10.105 2.709 2.838 1.00 0.00 N ATOM 95 CA LEU A 7 9.159 2.160 3.811 1.00 0.00 C ATOM 96 C LEU A 7 9.365 0.657 3.966 1.00 0.00 C ATOM 97 O LEU A 7 9.109 0.095 5.033 1.00 0.00 O ATOM 98 CB LEU A 7 7.709 2.437 3.382 1.00 0.00 C ATOM 99 CG LEU A 7 7.331 3.912 3.169 1.00 0.00 C ATOM 100 CD1 LEU A 7 5.945 4.013 2.551 1.00 0.00 C ATOM 101 CD2 LEU A 7 7.382 4.696 4.476 1.00 0.00 C ATOM 0 H LEU A 7 9.704 2.885 1.917 1.00 0.00 H new ATOM 0 HA LEU A 7 9.343 2.649 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.518 1.898 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.043 2.019 4.137 1.00 0.00 H new ATOM 0 HG LEU A 7 8.061 4.350 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.687 5.062 2.405 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.937 3.500 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.216 3.550 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.109 5.734 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.682 4.260 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.391 4.654 4.886 1.00 0.00 H new ATOM 113 N ALA A 8 9.828 0.015 2.888 1.00 0.00 N ATOM 114 CA ALA A 8 10.070 -1.427 2.883 1.00 0.00 C ATOM 115 C ALA A 8 11.205 -1.789 1.923 1.00 0.00 C ATOM 116 O ALA A 8 11.840 -0.905 1.342 1.00 0.00 O ATOM 117 CB ALA A 8 8.796 -2.168 2.503 1.00 0.00 C ATOM 0 H ALA A 8 10.043 0.477 2.004 1.00 0.00 H new ATOM 0 HA ALA A 8 10.369 -1.729 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.986 -3.241 2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.013 -1.939 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.476 -1.855 1.509 1.00 0.00 H new ATOM 123 N ASP A 9 11.455 -3.094 1.762 1.00 0.00 N ATOM 124 CA ASP A 9 12.510 -3.578 0.874 1.00 0.00 C ATOM 125 C ASP A 9 11.940 -4.500 -0.206 1.00 0.00 C ATOM 126 O ASP A 9 12.188 -4.296 -1.398 1.00 0.00 O ATOM 127 CB ASP A 9 13.588 -4.311 1.683 1.00 0.00 C ATOM 128 CG ASP A 9 14.767 -4.747 0.832 1.00 0.00 C ATOM 129 OD1 ASP A 9 15.429 -3.869 0.237 1.00 0.00 O ATOM 130 OD2 ASP A 9 15.029 -5.966 0.762 1.00 0.00 O ATOM 0 H ASP A 9 10.937 -3.833 2.238 1.00 0.00 H new ATOM 0 HA ASP A 9 12.960 -2.717 0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.943 -3.659 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.146 -5.186 2.159 1.00 0.00 H new ATOM 135 N ARG A 10 11.179 -5.514 0.220 1.00 0.00 N ATOM 136 CA ARG A 10 10.573 -6.473 -0.706 1.00 0.00 C ATOM 137 C ARG A 10 9.056 -6.525 -0.532 1.00 0.00 C ATOM 138 O ARG A 10 8.520 -6.083 0.492 1.00 0.00 O ATOM 139 CB ARG A 10 11.174 -7.865 -0.511 1.00 0.00 C ATOM 140 CG ARG A 10 12.664 -7.934 -0.808 1.00 0.00 C ATOM 141 CD ARG A 10 13.200 -9.342 -0.640 1.00 0.00 C ATOM 142 NE ARG A 10 14.645 -9.411 -0.863 1.00 0.00 N ATOM 143 CZ ARG A 10 15.368 -10.533 -0.778 1.00 0.00 C ATOM 144 NH1 ARG A 10 14.796 -11.694 -0.473 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.675 -10.489 -0.999 1.00 0.00 N ATOM 0 H ARG A 10 10.969 -5.691 1.202 1.00 0.00 H new ATOM 0 HA ARG A 10 10.789 -6.137 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.002 -8.185 0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.651 -8.571 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.849 -7.592 -1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.200 -7.258 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.971 -9.699 0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.694 -10.008 -1.339 1.00 0.00 H new ATOM 0 HE ARG A 10 15.133 -8.547 -1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.792 -11.738 -0.300 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.361 -12.541 -0.412 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.123 -9.603 -1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.232 -11.341 -0.936 1.00 0.00 H new ATOM 159 N LYS A 11 8.373 -7.046 -1.554 1.00 0.00 N ATOM 160 CA LYS A 11 6.914 -7.142 -1.554 1.00 0.00 C ATOM 161 C LYS A 11 6.427 -8.450 -2.184 1.00 0.00 C ATOM 162 O LYS A 11 7.225 -9.250 -2.676 1.00 0.00 O ATOM 163 CB LYS A 11 6.346 -5.953 -2.334 1.00 0.00 C ATOM 164 CG LYS A 11 6.880 -5.863 -3.756 1.00 0.00 C ATOM 165 CD LYS A 11 6.742 -4.467 -4.324 1.00 0.00 C ATOM 166 CE LYS A 11 7.385 -4.368 -5.698 1.00 0.00 C ATOM 167 NZ LYS A 11 7.257 -3.001 -6.274 1.00 0.00 N ATOM 0 H LYS A 11 8.813 -7.411 -2.399 1.00 0.00 H new ATOM 0 HA LYS A 11 6.567 -7.129 -0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.259 -6.032 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.584 -5.031 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.929 -6.158 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.343 -6.568 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.687 -4.202 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.207 -3.749 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.440 -4.634 -5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.920 -5.090 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.791 -3.058 -7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.688 -2.408 -5.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.202 -2.582 -6.386 1.00 0.00 H new ATOM 181 N LEU A 12 5.103 -8.636 -2.183 1.00 0.00 N ATOM 182 CA LEU A 12 4.474 -9.819 -2.773 1.00 0.00 C ATOM 183 C LEU A 12 3.757 -9.433 -4.057 1.00 0.00 C ATOM 184 O LEU A 12 3.036 -8.436 -4.090 1.00 0.00 O ATOM 185 CB LEU A 12 3.459 -10.476 -1.812 1.00 0.00 C ATOM 186 CG LEU A 12 4.018 -11.326 -0.648 1.00 0.00 C ATOM 187 CD1 LEU A 12 4.942 -12.428 -1.157 1.00 0.00 C ATOM 188 CD2 LEU A 12 4.730 -10.458 0.374 1.00 0.00 C ATOM 0 H LEU A 12 4.442 -7.975 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 12 5.266 -10.540 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.842 -9.686 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.799 -11.110 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 12 3.169 -11.801 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.317 -13.007 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.390 -13.084 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.780 -11.982 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.112 -11.084 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.559 -9.938 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.031 -9.728 0.782 1.00 0.00 H new ATOM 200 N CYS A 13 3.959 -10.231 -5.103 1.00 0.00 N ATOM 201 CA CYS A 13 3.334 -9.994 -6.403 1.00 0.00 C ATOM 202 C CYS A 13 2.853 -11.306 -7.009 1.00 0.00 C ATOM 203 O CYS A 13 3.251 -12.383 -6.562 1.00 0.00 O ATOM 204 CB CYS A 13 4.320 -9.333 -7.370 1.00 0.00 C ATOM 205 SG CYS A 13 4.833 -7.646 -6.919 1.00 0.00 S ATOM 0 H CYS A 13 4.558 -11.056 -5.074 1.00 0.00 H new ATOM 0 HA CYS A 13 2.485 -9.329 -6.246 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.209 -9.959 -7.442 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.869 -9.306 -8.362 1.00 0.00 H new ATOM 210 N ALA A 14 2.013 -11.209 -8.040 1.00 0.00 N ATOM 211 CA ALA A 14 1.499 -12.391 -8.724 1.00 0.00 C ATOM 212 C ALA A 14 2.543 -12.926 -9.701 1.00 0.00 C ATOM 213 O ALA A 14 2.625 -14.133 -9.941 1.00 0.00 O ATOM 214 CB ALA A 14 0.200 -12.066 -9.442 1.00 0.00 C ATOM 0 H ALA A 14 1.676 -10.324 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 14 1.291 -13.164 -7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.170 -12.958 -9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.540 -11.726 -8.718 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.377 -11.281 -10.177 1.00 0.00 H new ATOM 220 N ASP A 15 3.350 -12.007 -10.241 1.00 0.00 N ATOM 221 CA ASP A 15 4.420 -12.345 -11.180 1.00 0.00 C ATOM 222 C ASP A 15 5.647 -11.473 -10.920 1.00 0.00 C ATOM 223 O ASP A 15 5.591 -10.537 -10.121 1.00 0.00 O ATOM 224 CB ASP A 15 3.952 -12.170 -12.630 1.00 0.00 C ATOM 225 CG ASP A 15 2.929 -13.211 -13.044 1.00 0.00 C ATOM 226 OD1 ASP A 15 3.261 -14.415 -13.017 1.00 0.00 O ATOM 227 OD2 ASP A 15 1.798 -12.821 -13.394 1.00 0.00 O ATOM 0 H ASP A 15 3.279 -11.010 -10.039 1.00 0.00 H new ATOM 0 HA ASP A 15 4.686 -13.391 -11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.522 -11.176 -12.751 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.814 -12.228 -13.295 1.00 0.00 H new ATOM 232 N GLN A 16 6.753 -11.789 -11.602 1.00 0.00 N ATOM 233 CA GLN A 16 8.007 -11.044 -11.451 1.00 0.00 C ATOM 234 C GLN A 16 7.877 -9.611 -11.994 1.00 0.00 C ATOM 235 O GLN A 16 8.712 -8.749 -11.705 1.00 0.00 O ATOM 236 CB GLN A 16 9.139 -11.794 -12.171 1.00 0.00 C ATOM 237 CG GLN A 16 10.541 -11.291 -11.832 1.00 0.00 C ATOM 238 CD GLN A 16 11.668 -12.043 -12.541 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.339 -13.048 -13.356 1.00 0.00 O flip ATOM 240 NE2 GLN A 16 12.842 -11.718 -12.353 1.00 0.00 N flip ATOM 0 H GLN A 16 6.805 -12.560 -12.268 1.00 0.00 H new ATOM 0 HA GLN A 16 8.240 -10.970 -10.389 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.075 -12.853 -11.920 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.987 -11.712 -13.247 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.607 -10.234 -12.090 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.691 -11.367 -10.755 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.063 -10.946 -11.724 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.593 -12.221 -12.826 1.00 0.00 H new ATOM 249 N GLU A 17 6.824 -9.366 -12.776 1.00 0.00 N ATOM 250 CA GLU A 17 6.579 -8.047 -13.359 1.00 0.00 C ATOM 251 C GLU A 17 5.739 -7.167 -12.438 1.00 0.00 C ATOM 252 O GLU A 17 5.731 -5.942 -12.598 1.00 0.00 O ATOM 253 CB GLU A 17 5.858 -8.186 -14.708 1.00 0.00 C ATOM 254 CG GLU A 17 6.674 -8.898 -15.782 1.00 0.00 C ATOM 255 CD GLU A 17 7.924 -8.133 -16.184 1.00 0.00 C ATOM 256 OE1 GLU A 17 7.792 -6.993 -16.678 1.00 0.00 O ATOM 257 OE2 GLU A 17 9.034 -8.675 -16.002 1.00 0.00 O ATOM 0 H GLU A 17 6.125 -10.067 -13.020 1.00 0.00 H new ATOM 0 HA GLU A 17 7.551 -7.573 -13.500 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.926 -8.730 -14.555 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.591 -7.193 -15.069 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.960 -9.885 -15.418 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.050 -9.051 -16.662 1.00 0.00 H new ATOM 264 N CYS A 18 5.013 -7.803 -11.494 1.00 0.00 N ATOM 265 CA CYS A 18 4.126 -7.090 -10.554 1.00 0.00 C ATOM 266 C CYS A 18 3.093 -6.259 -11.327 1.00 0.00 C ATOM 267 O CYS A 18 2.618 -5.222 -10.853 1.00 0.00 O ATOM 268 CB CYS A 18 4.928 -6.195 -9.589 1.00 0.00 C ATOM 269 SG CYS A 18 6.037 -7.101 -8.462 1.00 0.00 S ATOM 0 H CYS A 18 5.025 -8.815 -11.364 1.00 0.00 H new ATOM 0 HA CYS A 18 3.603 -7.835 -9.954 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.521 -5.492 -10.174 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.229 -5.606 -8.995 1.00 0.00 H new ATOM 274 N SER A 19 2.773 -6.733 -12.533 1.00 0.00 N ATOM 275 CA SER A 19 1.826 -6.068 -13.420 1.00 0.00 C ATOM 276 C SER A 19 0.423 -6.670 -13.299 1.00 0.00 C ATOM 277 O SER A 19 -0.532 -6.165 -13.895 1.00 0.00 O ATOM 278 CB SER A 19 2.335 -6.169 -14.857 1.00 0.00 C ATOM 279 OG SER A 19 1.463 -5.521 -15.767 1.00 0.00 O ATOM 0 H SER A 19 3.166 -7.591 -12.920 1.00 0.00 H new ATOM 0 HA SER A 19 1.750 -5.020 -13.130 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.328 -5.724 -14.924 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.437 -7.218 -15.134 1.00 0.00 H new ATOM 0 HG SER A 19 0.580 -5.417 -15.356 1.00 0.00 H new ATOM 285 N HIS A 20 0.309 -7.747 -12.518 1.00 0.00 N ATOM 286 CA HIS A 20 -0.971 -8.422 -12.307 1.00 0.00 C ATOM 287 C HIS A 20 -1.631 -7.987 -10.990 1.00 0.00 C ATOM 288 O HIS A 20 -0.929 -7.620 -10.044 1.00 0.00 O ATOM 289 CB HIS A 20 -0.773 -9.942 -12.302 1.00 0.00 C ATOM 290 CG HIS A 20 -0.906 -10.609 -13.642 1.00 0.00 C ATOM 291 ND1 HIS A 20 -0.952 -11.977 -13.773 1.00 0.00 N ATOM 292 CD2 HIS A 20 -1.030 -10.113 -14.903 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.103 -12.299 -15.040 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.152 -11.187 -15.751 1.00 0.00 N ATOM 0 H HIS A 20 1.092 -8.171 -12.020 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.630 -8.139 -13.128 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.216 -10.162 -11.901 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.499 -10.385 -11.620 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.032 -9.070 -15.185 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.175 -13.303 -15.432 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.262 -11.134 -16.764 1.00 0.00 H new ATOM 303 N PRO A 21 -2.995 -8.031 -10.896 1.00 0.00 N ATOM 304 CA PRO A 21 -3.714 -7.652 -9.688 1.00 0.00 C ATOM 305 C PRO A 21 -3.958 -8.847 -8.766 1.00 0.00 C ATOM 306 O PRO A 21 -4.637 -9.810 -9.143 1.00 0.00 O ATOM 307 CB PRO A 21 -5.034 -7.100 -10.235 1.00 0.00 C ATOM 308 CG PRO A 21 -5.218 -7.720 -11.593 1.00 0.00 C ATOM 309 CD PRO A 21 -3.947 -8.461 -11.939 1.00 0.00 C ATOM 0 HA PRO A 21 -3.162 -6.938 -9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.865 -7.353 -9.576 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.002 -6.013 -10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.069 -8.402 -11.590 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.428 -6.952 -12.338 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.096 -9.541 -11.924 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.592 -8.202 -12.936 1.00 0.00 H new ATOM 317 N ILE A 22 -3.392 -8.786 -7.564 1.00 0.00 N ATOM 318 CA ILE A 22 -3.535 -9.868 -6.594 1.00 0.00 C ATOM 319 C ILE A 22 -4.954 -9.926 -6.039 1.00 0.00 C ATOM 320 O ILE A 22 -5.645 -10.928 -6.208 1.00 0.00 O ATOM 321 CB ILE A 22 -2.541 -9.729 -5.414 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.108 -9.560 -5.935 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.640 -10.949 -4.492 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.136 -9.043 -4.893 1.00 0.00 C ATOM 0 H ILE A 22 -2.830 -7.999 -7.238 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.313 -10.790 -7.131 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.802 -8.839 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.751 -10.520 -6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.118 -8.874 -6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.937 -10.839 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.653 -11.026 -4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.401 -11.851 -5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.856 -8.950 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.468 -8.068 -4.538 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.096 -9.740 -4.056 1.00 0.00 H new ATOM 336 N SER A 23 -5.368 -8.858 -5.359 1.00 0.00 N ATOM 337 CA SER A 23 -6.695 -8.802 -4.754 1.00 0.00 C ATOM 338 C SER A 23 -7.385 -7.466 -4.998 1.00 0.00 C ATOM 339 O SER A 23 -6.778 -6.405 -4.863 1.00 0.00 O ATOM 340 CB SER A 23 -6.581 -9.050 -3.247 1.00 0.00 C ATOM 341 OG SER A 23 -5.646 -8.165 -2.655 1.00 0.00 O ATOM 0 H SER A 23 -4.803 -8.021 -5.214 1.00 0.00 H new ATOM 0 HA SER A 23 -7.302 -9.576 -5.222 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.557 -8.920 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.276 -10.081 -3.067 1.00 0.00 H new ATOM 0 HG SER A 23 -5.592 -8.342 -1.693 1.00 0.00 H new ATOM 347 N MET A 24 -8.673 -7.539 -5.326 1.00 0.00 N ATOM 348 CA MET A 24 -9.491 -6.356 -5.557 1.00 0.00 C ATOM 349 C MET A 24 -10.111 -5.934 -4.229 1.00 0.00 C ATOM 350 O MET A 24 -10.887 -6.688 -3.634 1.00 0.00 O ATOM 351 CB MET A 24 -10.568 -6.659 -6.602 1.00 0.00 C ATOM 352 CG MET A 24 -11.383 -5.445 -7.021 1.00 0.00 C ATOM 353 SD MET A 24 -12.873 -5.202 -6.025 1.00 0.00 S ATOM 354 CE MET A 24 -13.853 -6.628 -6.497 1.00 0.00 C ATOM 0 H MET A 24 -9.176 -8.419 -5.438 1.00 0.00 H new ATOM 0 HA MET A 24 -8.880 -5.540 -5.943 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.093 -7.087 -7.485 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.243 -7.417 -6.204 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.758 -4.555 -6.950 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.668 -5.551 -8.068 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.909 -6.417 -6.326 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.693 -6.846 -7.553 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.554 -7.489 -5.899 1.00 0.00 H new ATOM 364 N ALA A 25 -9.744 -4.745 -3.752 1.00 0.00 N ATOM 365 CA ALA A 25 -10.244 -4.252 -2.474 1.00 0.00 C ATOM 366 C ALA A 25 -11.093 -2.998 -2.630 1.00 0.00 C ATOM 367 O ALA A 25 -10.841 -2.161 -3.501 1.00 0.00 O ATOM 368 CB ALA A 25 -9.082 -3.986 -1.529 1.00 0.00 C ATOM 0 H ALA A 25 -9.105 -4.110 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.887 -5.026 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.464 -3.618 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.528 -4.910 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.420 -3.239 -1.967 1.00 0.00 H new ATOM 374 N VAL A 26 -12.100 -2.880 -1.763 1.00 0.00 N ATOM 375 CA VAL A 26 -13.004 -1.728 -1.773 1.00 0.00 C ATOM 376 C VAL A 26 -12.591 -0.721 -0.692 1.00 0.00 C ATOM 377 O VAL A 26 -12.261 -1.111 0.432 1.00 0.00 O ATOM 378 CB VAL A 26 -14.476 -2.166 -1.546 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.431 -0.984 -1.679 1.00 0.00 C ATOM 380 CG2 VAL A 26 -14.865 -3.269 -2.522 1.00 0.00 C ATOM 0 H VAL A 26 -12.311 -3.571 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.934 -1.257 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.554 -2.553 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.454 -1.323 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.176 -0.226 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.346 -0.558 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.900 -3.562 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.759 -2.905 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.214 -4.131 -2.375 1.00 0.00 H new ATOM 390 N ALA A 27 -12.609 0.572 -1.045 1.00 0.00 N ATOM 391 CA ALA A 27 -12.237 1.638 -0.111 1.00 0.00 C ATOM 392 C ALA A 27 -13.370 1.939 0.862 1.00 0.00 C ATOM 393 O ALA A 27 -14.527 2.093 0.458 1.00 0.00 O ATOM 394 CB ALA A 27 -11.844 2.895 -0.868 1.00 0.00 C ATOM 0 H ALA A 27 -12.878 0.903 -1.972 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.379 1.293 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.571 3.676 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.994 2.679 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.685 3.233 -1.474 1.00 0.00 H new ATOM 400 N LEU A 28 -13.023 2.007 2.149 1.00 0.00 N ATOM 401 CA LEU A 28 -13.996 2.268 3.207 1.00 0.00 C ATOM 402 C LEU A 28 -14.007 3.735 3.647 1.00 0.00 C ATOM 403 O LEU A 28 -14.946 4.167 4.322 1.00 0.00 O ATOM 404 CB LEU A 28 -13.705 1.367 4.415 1.00 0.00 C ATOM 405 CG LEU A 28 -13.896 -0.140 4.183 1.00 0.00 C ATOM 406 CD1 LEU A 28 -13.300 -0.931 5.339 1.00 0.00 C ATOM 407 CD2 LEU A 28 -15.370 -0.486 4.002 1.00 0.00 C ATOM 0 H LEU A 28 -12.067 1.884 2.483 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.982 2.045 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.677 1.539 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.350 1.674 5.238 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.374 -0.411 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.442 -1.997 5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.234 -0.715 5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.796 -0.648 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -15.475 -1.559 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -15.924 -0.199 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.767 0.052 3.141 1.00 0.00 H new ATOM 419 N GLN A 29 -12.967 4.497 3.277 1.00 0.00 N ATOM 420 CA GLN A 29 -12.887 5.914 3.658 1.00 0.00 C ATOM 421 C GLN A 29 -12.055 6.740 2.669 1.00 0.00 C ATOM 422 O GLN A 29 -11.537 6.212 1.682 1.00 0.00 O ATOM 423 CB GLN A 29 -12.319 6.059 5.078 1.00 0.00 C ATOM 424 CG GLN A 29 -10.984 5.355 5.298 1.00 0.00 C ATOM 425 CD GLN A 29 -10.389 5.579 6.690 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.422 4.919 7.066 1.00 0.00 O ATOM 427 NE2 GLN A 29 -10.943 6.520 7.460 1.00 0.00 N ATOM 0 H GLN A 29 -12.180 4.161 2.722 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.904 6.307 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.198 7.119 5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.045 5.665 5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.118 4.285 5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.273 5.703 4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.745 7.051 7.120 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.564 6.708 8.388 1.00 0.00 H new ATOM 436 N ASP A 30 -11.946 8.045 2.954 1.00 0.00 N ATOM 437 CA ASP A 30 -11.195 8.979 2.112 1.00 0.00 C ATOM 438 C ASP A 30 -9.730 9.055 2.532 1.00 0.00 C ATOM 439 O ASP A 30 -9.396 8.843 3.701 1.00 0.00 O ATOM 440 CB ASP A 30 -11.818 10.378 2.189 1.00 0.00 C ATOM 441 CG ASP A 30 -13.247 10.414 1.682 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.458 10.162 0.478 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.155 10.695 2.492 1.00 0.00 O ATOM 0 H ASP A 30 -12.375 8.479 3.772 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.242 8.610 1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.795 10.725 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.213 11.073 1.606 1.00 0.00 H new ATOM 448 N TYR A 31 -8.863 9.366 1.564 1.00 0.00 N ATOM 449 CA TYR A 31 -7.427 9.485 1.806 1.00 0.00 C ATOM 450 C TYR A 31 -6.791 10.471 0.827 1.00 0.00 C ATOM 451 O TYR A 31 -6.990 10.361 -0.384 1.00 0.00 O ATOM 452 CB TYR A 31 -6.739 8.120 1.661 1.00 0.00 C ATOM 453 CG TYR A 31 -5.345 8.072 2.262 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.149 8.152 3.639 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.225 7.947 1.449 1.00 0.00 C ATOM 456 CE1 TYR A 31 -3.880 8.112 4.183 1.00 0.00 C ATOM 457 CE2 TYR A 31 -2.953 7.907 1.987 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.786 7.990 3.354 1.00 0.00 C ATOM 459 OH TYR A 31 -1.521 7.950 3.892 1.00 0.00 O ATOM 0 H TYR A 31 -9.137 9.541 0.597 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.293 9.852 2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.357 7.359 2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.678 7.864 0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.004 8.247 4.292 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.351 7.880 0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.746 8.176 5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.093 7.811 1.340 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.872 7.745 3.187 1.00 0.00 H new ATOM 469 N MET A 32 -6.007 11.412 1.357 1.00 0.00 N ATOM 470 CA MET A 32 -5.315 12.401 0.533 1.00 0.00 C ATOM 471 C MET A 32 -3.831 12.057 0.442 1.00 0.00 C ATOM 472 O MET A 32 -3.204 11.730 1.453 1.00 0.00 O ATOM 473 CB MET A 32 -5.498 13.814 1.097 1.00 0.00 C ATOM 474 CG MET A 32 -6.832 14.460 0.744 1.00 0.00 C ATOM 475 SD MET A 32 -8.277 13.598 1.410 1.00 0.00 S ATOM 476 CE MET A 32 -7.989 13.729 3.173 1.00 0.00 C ATOM 0 H MET A 32 -5.836 11.509 2.358 1.00 0.00 H new ATOM 0 HA MET A 32 -5.750 12.378 -0.466 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.402 13.775 2.182 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.691 14.448 0.728 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.834 15.486 1.112 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.922 14.510 -0.341 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.906 13.488 3.710 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.203 13.033 3.466 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.682 14.746 3.417 1.00 0.00 H new ATOM 486 N ALA A 33 -3.285 12.105 -0.775 1.00 0.00 N ATOM 487 CA ALA A 33 -1.878 11.770 -1.009 1.00 0.00 C ATOM 488 C ALA A 33 -0.936 12.965 -0.797 1.00 0.00 C ATOM 489 O ALA A 33 -0.964 13.918 -1.581 1.00 0.00 O ATOM 490 CB ALA A 33 -1.702 11.233 -2.416 1.00 0.00 C ATOM 0 H ALA A 33 -3.797 12.373 -1.616 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.609 11.010 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.653 10.986 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.310 10.337 -2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.016 11.989 -3.136 1.00 0.00 H new ATOM 496 N PRO A 34 -0.067 12.934 0.255 1.00 0.00 N ATOM 497 CA PRO A 34 0.885 14.017 0.522 1.00 0.00 C ATOM 498 C PRO A 34 2.107 13.940 -0.400 1.00 0.00 C ATOM 499 O PRO A 34 2.462 14.920 -1.058 1.00 0.00 O ATOM 500 CB PRO A 34 1.302 13.796 1.987 1.00 0.00 C ATOM 501 CG PRO A 34 0.505 12.628 2.476 1.00 0.00 C ATOM 502 CD PRO A 34 0.077 11.865 1.257 1.00 0.00 C ATOM 0 HA PRO A 34 0.444 14.998 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.371 13.596 2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.101 14.683 2.587 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.102 12.000 3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.360 12.961 3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.819 11.125 0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.859 11.330 1.419 1.00 0.00 H new ATOM 510 N ASP A 35 2.742 12.761 -0.435 1.00 0.00 N ATOM 511 CA ASP A 35 3.924 12.526 -1.264 1.00 0.00 C ATOM 512 C ASP A 35 3.520 11.996 -2.644 1.00 0.00 C ATOM 513 O ASP A 35 2.396 11.521 -2.832 1.00 0.00 O ATOM 514 CB ASP A 35 4.855 11.533 -0.556 1.00 0.00 C ATOM 515 CG ASP A 35 6.279 11.544 -1.088 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.504 11.043 -2.209 1.00 0.00 O ATOM 517 OD2 ASP A 35 7.170 12.057 -0.378 1.00 0.00 O ATOM 0 H ASP A 35 2.450 11.949 0.109 1.00 0.00 H new ATOM 0 HA ASP A 35 4.451 13.469 -1.409 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.873 11.762 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.446 10.528 -0.659 1.00 0.00 H new ATOM 522 N CYS A 36 4.453 12.083 -3.597 1.00 0.00 N ATOM 523 CA CYS A 36 4.236 11.624 -4.973 1.00 0.00 C ATOM 524 C CYS A 36 3.973 10.116 -5.049 1.00 0.00 C ATOM 525 O CYS A 36 3.247 9.653 -5.932 1.00 0.00 O ATOM 526 CB CYS A 36 5.459 11.979 -5.828 1.00 0.00 C ATOM 527 SG CYS A 36 5.390 11.378 -7.550 1.00 0.00 S ATOM 0 H CYS A 36 5.381 12.474 -3.436 1.00 0.00 H new ATOM 0 HA CYS A 36 3.348 12.129 -5.353 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.574 13.063 -5.841 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.349 11.570 -5.351 1.00 0.00 H new ATOM 532 N ARG A 37 4.580 9.356 -4.135 1.00 0.00 N ATOM 533 CA ARG A 37 4.425 7.899 -4.121 1.00 0.00 C ATOM 534 C ARG A 37 3.083 7.448 -3.529 1.00 0.00 C ATOM 535 O ARG A 37 2.709 6.286 -3.681 1.00 0.00 O ATOM 536 CB ARG A 37 5.583 7.237 -3.362 1.00 0.00 C ATOM 537 CG ARG A 37 5.684 7.644 -1.899 1.00 0.00 C ATOM 538 CD ARG A 37 6.764 6.858 -1.175 1.00 0.00 C ATOM 539 NE ARG A 37 6.490 5.420 -1.164 1.00 0.00 N ATOM 540 CZ ARG A 37 7.310 4.501 -0.645 1.00 0.00 C ATOM 541 NH1 ARG A 37 8.470 4.852 -0.096 1.00 0.00 N ATOM 542 NH2 ARG A 37 6.966 3.220 -0.677 1.00 0.00 N ATOM 0 H ARG A 37 5.181 9.723 -3.397 1.00 0.00 H new ATOM 0 HA ARG A 37 4.442 7.577 -5.162 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.468 6.155 -3.419 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.519 7.485 -3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.901 8.710 -1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.724 7.482 -1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.726 7.039 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.847 7.218 -0.149 1.00 0.00 H new ATOM 0 HE ARG A 37 5.616 5.098 -1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.744 5.834 -0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.085 4.139 0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.079 2.940 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.588 2.515 -0.282 1.00 0.00 H new ATOM 556 N PHE A 38 2.362 8.356 -2.863 1.00 0.00 N ATOM 557 CA PHE A 38 1.068 8.011 -2.265 1.00 0.00 C ATOM 558 C PHE A 38 -0.083 8.270 -3.239 1.00 0.00 C ATOM 559 O PHE A 38 0.052 9.062 -4.174 1.00 0.00 O ATOM 560 CB PHE A 38 0.837 8.790 -0.961 1.00 0.00 C ATOM 561 CG PHE A 38 1.540 8.213 0.248 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.915 8.328 0.408 1.00 0.00 C ATOM 563 CD2 PHE A 38 0.812 7.567 1.235 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.545 7.806 1.522 1.00 0.00 C ATOM 565 CE2 PHE A 38 1.437 7.045 2.351 1.00 0.00 C ATOM 566 CZ PHE A 38 2.805 7.163 2.495 1.00 0.00 C ATOM 0 H PHE A 38 2.648 9.325 -2.725 1.00 0.00 H new ATOM 0 HA PHE A 38 1.092 6.946 -2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.170 9.818 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.234 8.827 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.499 8.832 -0.348 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.259 7.470 1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.615 7.901 1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.855 6.545 3.111 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.295 6.754 3.366 1.00 0.00 H new ATOM 576 N LEU A 39 -1.212 7.586 -3.010 1.00 0.00 N ATOM 577 CA LEU A 39 -2.401 7.725 -3.864 1.00 0.00 C ATOM 578 C LEU A 39 -3.575 8.367 -3.125 1.00 0.00 C ATOM 579 O LEU A 39 -3.796 8.100 -1.940 1.00 0.00 O ATOM 580 CB LEU A 39 -2.845 6.353 -4.374 1.00 0.00 C ATOM 581 CG LEU A 39 -1.966 5.727 -5.456 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.192 4.230 -5.500 1.00 0.00 C ATOM 583 CD2 LEU A 39 -2.272 6.339 -6.815 1.00 0.00 C ATOM 0 H LEU A 39 -1.328 6.929 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.118 8.373 -4.693 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.888 5.668 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.859 6.442 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.922 5.926 -5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.563 3.790 -6.273 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.937 3.795 -4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.239 4.027 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.636 5.880 -7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.318 6.164 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.081 7.412 -6.782 1.00 0.00 H new ATOM 595 N THR A 40 -4.348 9.186 -3.851 1.00 0.00 N ATOM 596 CA THR A 40 -5.535 9.837 -3.291 1.00 0.00 C ATOM 597 C THR A 40 -6.757 8.979 -3.612 1.00 0.00 C ATOM 598 O THR A 40 -7.131 8.829 -4.779 1.00 0.00 O ATOM 599 CB THR A 40 -5.706 11.259 -3.853 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.528 12.018 -3.663 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.844 12.033 -3.212 1.00 0.00 C ATOM 0 H THR A 40 -4.170 9.412 -4.830 1.00 0.00 H new ATOM 0 HA THR A 40 -5.421 9.929 -2.211 1.00 0.00 H new ATOM 0 HB THR A 40 -5.929 11.119 -4.911 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.656 12.918 -4.029 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.905 13.026 -3.657 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.782 11.503 -3.376 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.663 12.126 -2.141 1.00 0.00 H new ATOM 609 N ILE A 41 -7.347 8.389 -2.574 1.00 0.00 N ATOM 610 CA ILE A 41 -8.501 7.504 -2.740 1.00 0.00 C ATOM 611 C ILE A 41 -9.769 8.093 -2.113 1.00 0.00 C ATOM 612 O ILE A 41 -9.708 8.767 -1.090 1.00 0.00 O ATOM 613 CB ILE A 41 -8.198 6.111 -2.115 1.00 0.00 C ATOM 614 CG1 ILE A 41 -6.922 5.523 -2.746 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.377 5.156 -2.306 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.422 4.252 -2.087 1.00 0.00 C ATOM 0 H ILE A 41 -7.045 8.507 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.681 7.395 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.041 6.238 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.114 5.320 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.133 6.273 -2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.139 4.190 -1.860 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.262 5.570 -1.824 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.571 5.026 -3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.521 3.909 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.195 4.450 -1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.191 3.482 -2.152 1.00 0.00 H new ATOM 628 N HIS A 42 -10.917 7.804 -2.734 1.00 0.00 N ATOM 629 CA HIS A 42 -12.211 8.272 -2.241 1.00 0.00 C ATOM 630 C HIS A 42 -13.028 7.093 -1.717 1.00 0.00 C ATOM 631 O HIS A 42 -12.854 5.956 -2.168 1.00 0.00 O ATOM 632 CB HIS A 42 -12.985 9.004 -3.342 1.00 0.00 C ATOM 633 CG HIS A 42 -12.347 10.288 -3.783 1.00 0.00 C ATOM 634 ND1 HIS A 42 -11.089 10.352 -4.345 1.00 0.00 N ATOM 635 CD2 HIS A 42 -12.805 11.562 -3.744 1.00 0.00 C ATOM 636 CE1 HIS A 42 -10.800 11.610 -4.631 1.00 0.00 C ATOM 637 NE2 HIS A 42 -11.825 12.363 -4.277 1.00 0.00 N ATOM 0 H HIS A 42 -10.973 7.244 -3.585 1.00 0.00 H new ATOM 0 HA HIS A 42 -12.034 8.974 -1.426 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.083 8.344 -4.204 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.993 9.215 -2.985 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.762 11.887 -3.365 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.882 11.962 -5.078 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -11.880 13.376 -4.382 1.00 0.00 H new ATOM 646 N ARG A 43 -13.907 7.377 -0.754 1.00 0.00 N ATOM 647 CA ARG A 43 -14.753 6.356 -0.136 1.00 0.00 C ATOM 648 C ARG A 43 -15.727 5.745 -1.148 1.00 0.00 C ATOM 649 O ARG A 43 -16.558 6.451 -1.728 1.00 0.00 O ATOM 650 CB ARG A 43 -15.528 6.973 1.036 1.00 0.00 C ATOM 651 CG ARG A 43 -16.303 5.963 1.872 1.00 0.00 C ATOM 652 CD ARG A 43 -17.078 6.638 2.994 1.00 0.00 C ATOM 653 NE ARG A 43 -18.095 7.562 2.485 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.913 8.285 3.258 1.00 0.00 C ATOM 655 NH1 ARG A 43 -18.848 8.205 4.584 1.00 0.00 N ATOM 656 NH2 ARG A 43 -19.802 9.093 2.696 1.00 0.00 N ATOM 0 H ARG A 43 -14.052 8.316 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.110 5.555 0.229 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -14.827 7.501 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -16.224 7.716 0.646 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.994 5.414 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.612 5.234 2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.556 5.878 3.612 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.385 7.181 3.637 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.185 7.660 1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.168 7.586 5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.479 8.763 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.859 9.160 1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -20.429 9.647 3.280 1.00 0.00 H new ATOM 670 N GLY A 44 -15.621 4.425 -1.339 1.00 0.00 N ATOM 671 CA GLY A 44 -16.504 3.728 -2.263 1.00 0.00 C ATOM 672 C GLY A 44 -15.853 3.371 -3.590 1.00 0.00 C ATOM 673 O GLY A 44 -16.457 2.660 -4.397 1.00 0.00 O ATOM 0 H GLY A 44 -14.939 3.829 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.862 2.814 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.378 4.351 -2.455 1.00 0.00 H new ATOM 677 N GLN A 45 -14.629 3.860 -3.828 1.00 0.00 N ATOM 678 CA GLN A 45 -13.927 3.572 -5.082 1.00 0.00 C ATOM 679 C GLN A 45 -13.296 2.182 -5.071 1.00 0.00 C ATOM 680 O GLN A 45 -12.934 1.657 -4.015 1.00 0.00 O ATOM 681 CB GLN A 45 -12.853 4.625 -5.370 1.00 0.00 C ATOM 682 CG GLN A 45 -13.415 5.988 -5.738 1.00 0.00 C ATOM 683 CD GLN A 45 -12.362 6.917 -6.315 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.349 7.206 -5.677 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.596 7.393 -7.533 1.00 0.00 N ATOM 0 H GLN A 45 -14.111 4.450 -3.177 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.674 3.603 -5.875 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.215 4.730 -4.492 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.220 4.272 -6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.219 5.862 -6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.853 6.447 -4.852 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.448 7.129 -8.029 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.924 8.022 -7.973 1.00 0.00 H new ATOM 694 N VAL A 46 -13.168 1.601 -6.268 1.00 0.00 N ATOM 695 CA VAL A 46 -12.578 0.273 -6.438 1.00 0.00 C ATOM 696 C VAL A 46 -11.074 0.394 -6.674 1.00 0.00 C ATOM 697 O VAL A 46 -10.648 0.859 -7.731 1.00 0.00 O ATOM 698 CB VAL A 46 -13.213 -0.480 -7.639 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.768 -1.934 -7.667 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.731 -0.385 -7.613 1.00 0.00 C ATOM 0 H VAL A 46 -13.469 2.036 -7.140 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.772 -0.291 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.863 0.003 -8.551 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.227 -2.439 -8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.683 -1.981 -7.760 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.075 -2.426 -6.744 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -15.144 -0.922 -8.467 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.107 -0.826 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.031 0.662 -7.663 1.00 0.00 H new ATOM 710 N VAL A 47 -10.276 -0.022 -5.689 1.00 0.00 N ATOM 711 CA VAL A 47 -8.818 0.048 -5.807 1.00 0.00 C ATOM 712 C VAL A 47 -8.223 -1.351 -5.946 1.00 0.00 C ATOM 713 O VAL A 47 -8.498 -2.235 -5.129 1.00 0.00 O ATOM 714 CB VAL A 47 -8.175 0.770 -4.595 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.698 1.051 -4.846 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.913 2.062 -4.281 1.00 0.00 C ATOM 0 H VAL A 47 -10.611 -0.408 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.596 0.627 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.255 0.108 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.272 1.558 -3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.172 0.111 -5.011 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.593 1.685 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.444 2.551 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.872 2.724 -5.146 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.953 1.839 -4.045 1.00 0.00 H new ATOM 726 N TYR A 48 -7.415 -1.544 -6.990 1.00 0.00 N ATOM 727 CA TYR A 48 -6.786 -2.836 -7.243 1.00 0.00 C ATOM 728 C TYR A 48 -5.391 -2.897 -6.627 1.00 0.00 C ATOM 729 O TYR A 48 -4.564 -2.012 -6.854 1.00 0.00 O ATOM 730 CB TYR A 48 -6.702 -3.129 -8.751 1.00 0.00 C ATOM 731 CG TYR A 48 -8.044 -3.296 -9.445 1.00 0.00 C ATOM 732 CD1 TYR A 48 -8.851 -2.200 -9.740 1.00 0.00 C ATOM 733 CD2 TYR A 48 -8.494 -4.555 -9.821 1.00 0.00 C ATOM 734 CE1 TYR A 48 -10.064 -2.358 -10.382 1.00 0.00 C ATOM 735 CE2 TYR A 48 -9.705 -4.719 -10.467 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.486 -3.618 -10.744 1.00 0.00 C ATOM 737 OH TYR A 48 -11.692 -3.779 -11.384 1.00 0.00 O ATOM 0 H TYR A 48 -7.183 -0.822 -7.672 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.410 -3.597 -6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.158 -2.318 -9.234 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.118 -4.037 -8.898 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.523 -1.209 -9.462 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.887 -5.422 -9.605 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.679 -1.497 -10.599 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.038 -5.706 -10.753 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.839 -4.730 -11.570 1.00 0.00 H new ATOM 747 N VAL A 49 -5.138 -3.954 -5.854 1.00 0.00 N ATOM 748 CA VAL A 49 -3.840 -4.146 -5.205 1.00 0.00 C ATOM 749 C VAL A 49 -2.909 -4.920 -6.134 1.00 0.00 C ATOM 750 O VAL A 49 -3.275 -5.982 -6.641 1.00 0.00 O ATOM 751 CB VAL A 49 -3.976 -4.908 -3.861 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.650 -4.941 -3.110 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.063 -4.287 -2.995 1.00 0.00 C ATOM 0 H VAL A 49 -5.816 -4.691 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.426 -3.160 -4.994 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.261 -5.935 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.776 -5.482 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.899 -5.443 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.325 -3.922 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.140 -4.838 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.811 -3.247 -2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.017 -4.330 -3.521 1.00 0.00 H new ATOM 763 N PHE A 50 -1.711 -4.379 -6.359 1.00 0.00 N ATOM 764 CA PHE A 50 -0.733 -5.020 -7.236 1.00 0.00 C ATOM 765 C PHE A 50 0.427 -5.619 -6.443 1.00 0.00 C ATOM 766 O PHE A 50 1.109 -6.525 -6.931 1.00 0.00 O ATOM 767 CB PHE A 50 -0.199 -4.027 -8.280 1.00 0.00 C ATOM 768 CG PHE A 50 -1.172 -3.714 -9.392 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.247 -2.858 -9.188 1.00 0.00 C ATOM 770 CD2 PHE A 50 -1.009 -4.282 -10.646 1.00 0.00 C ATOM 771 CE1 PHE A 50 -3.134 -2.578 -10.209 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.894 -4.006 -11.671 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.957 -3.154 -11.452 1.00 0.00 C ATOM 0 H PHE A 50 -1.396 -3.501 -5.947 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.246 -5.832 -7.751 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.071 -3.099 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.715 -4.431 -8.715 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.391 -2.405 -8.218 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.179 -4.949 -10.824 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.965 -1.910 -10.036 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.754 -4.457 -12.642 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.650 -2.938 -12.252 1.00 0.00 H new ATOM 783 N SER A 51 0.650 -5.114 -5.223 1.00 0.00 N ATOM 784 CA SER A 51 1.736 -5.610 -4.375 1.00 0.00 C ATOM 785 C SER A 51 1.451 -5.394 -2.890 1.00 0.00 C ATOM 786 O SER A 51 0.674 -4.517 -2.519 1.00 0.00 O ATOM 787 CB SER A 51 3.055 -4.920 -4.739 1.00 0.00 C ATOM 788 OG SER A 51 2.947 -3.513 -4.616 1.00 0.00 O ATOM 0 H SER A 51 0.095 -4.367 -4.805 1.00 0.00 H new ATOM 0 HA SER A 51 1.814 -6.682 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.851 -5.285 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.334 -5.178 -5.761 1.00 0.00 H new ATOM 0 HG SER A 51 3.802 -3.097 -4.852 1.00 0.00 H new ATOM 794 N LYS A 52 2.109 -6.200 -2.046 1.00 0.00 N ATOM 795 CA LYS A 52 1.964 -6.099 -0.586 1.00 0.00 C ATOM 796 C LYS A 52 3.352 -6.069 0.056 1.00 0.00 C ATOM 797 O LYS A 52 4.051 -7.082 0.076 1.00 0.00 O ATOM 798 CB LYS A 52 1.149 -7.271 -0.012 1.00 0.00 C ATOM 799 CG LYS A 52 -0.130 -7.586 -0.775 1.00 0.00 C ATOM 800 CD LYS A 52 -0.842 -8.798 -0.197 1.00 0.00 C ATOM 801 CE LYS A 52 -2.117 -9.113 -0.960 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.822 -10.299 -0.400 1.00 0.00 N ATOM 0 H LYS A 52 2.750 -6.933 -2.350 1.00 0.00 H new ATOM 0 HA LYS A 52 1.424 -5.180 -0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.777 -8.162 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.893 -7.046 1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.795 -6.723 -0.743 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.106 -7.768 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.176 -9.661 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.080 -8.616 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.781 -8.249 -0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.877 -9.295 -2.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.687 -10.480 -0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.199 -11.130 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.074 -10.117 0.592 1.00 0.00 H new ATOM 816 N LEU A 53 3.755 -4.896 0.554 1.00 0.00 N ATOM 817 CA LEU A 53 5.081 -4.721 1.165 1.00 0.00 C ATOM 818 C LEU A 53 5.229 -5.501 2.477 1.00 0.00 C ATOM 819 O LEU A 53 4.238 -5.829 3.130 1.00 0.00 O ATOM 820 CB LEU A 53 5.354 -3.230 1.418 1.00 0.00 C ATOM 821 CG LEU A 53 5.219 -2.303 0.195 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.298 -0.846 0.623 1.00 0.00 C ATOM 823 CD2 LEU A 53 6.286 -2.605 -0.851 1.00 0.00 C ATOM 0 H LEU A 53 3.183 -4.051 0.547 1.00 0.00 H new ATOM 0 HA LEU A 53 5.812 -5.120 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.669 -2.881 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.363 -3.128 1.817 1.00 0.00 H new ATOM 0 HG LEU A 53 4.244 -2.487 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.201 -0.204 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.492 -0.628 1.324 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.258 -0.660 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.163 -1.934 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.274 -2.460 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.185 -3.637 -1.186 1.00 0.00 H new ATOM 835 N LYS A 54 6.489 -5.784 2.845 1.00 0.00 N ATOM 836 CA LYS A 54 6.813 -6.514 4.082 1.00 0.00 C ATOM 837 C LYS A 54 7.759 -5.695 4.965 1.00 0.00 C ATOM 838 O LYS A 54 8.136 -4.576 4.612 1.00 0.00 O ATOM 839 CB LYS A 54 7.477 -7.859 3.767 1.00 0.00 C ATOM 840 CG LYS A 54 6.558 -8.888 3.148 1.00 0.00 C ATOM 841 CD LYS A 54 7.298 -10.192 2.875 1.00 0.00 C ATOM 842 CE LYS A 54 7.568 -10.986 4.149 1.00 0.00 C ATOM 843 NZ LYS A 54 6.308 -11.397 4.830 1.00 0.00 N ATOM 0 H LYS A 54 7.307 -5.516 2.298 1.00 0.00 H new ATOM 0 HA LYS A 54 5.876 -6.687 4.611 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.314 -7.686 3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.891 -8.269 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.717 -9.077 3.815 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.146 -8.499 2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.712 -10.802 2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.244 -9.973 2.380 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.154 -11.872 3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.168 -10.384 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.510 -12.170 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.913 -10.587 5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.620 -11.722 4.121 1.00 0.00 H new ATOM 857 N GLY A 55 8.148 -6.276 6.108 1.00 0.00 N ATOM 858 CA GLY A 55 9.062 -5.610 7.025 1.00 0.00 C ATOM 859 C GLY A 55 8.374 -4.619 7.942 1.00 0.00 C ATOM 860 O GLY A 55 7.293 -4.893 8.467 1.00 0.00 O ATOM 0 H GLY A 55 7.842 -7.200 6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.571 -6.361 7.629 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.829 -5.091 6.450 1.00 0.00 H new ATOM 864 N ARG A 56 9.019 -3.466 8.134 1.00 0.00 N ATOM 865 CA ARG A 56 8.495 -2.402 8.996 1.00 0.00 C ATOM 866 C ARG A 56 7.257 -1.743 8.387 1.00 0.00 C ATOM 867 O ARG A 56 6.410 -1.213 9.111 1.00 0.00 O ATOM 868 CB ARG A 56 9.580 -1.354 9.274 1.00 0.00 C ATOM 869 CG ARG A 56 10.245 -0.796 8.023 1.00 0.00 C ATOM 870 CD ARG A 56 11.361 0.173 8.377 1.00 0.00 C ATOM 871 NE ARG A 56 12.103 0.636 7.198 1.00 0.00 N ATOM 872 CZ ARG A 56 12.951 -0.120 6.485 1.00 0.00 C ATOM 873 NH1 ARG A 56 13.209 -1.378 6.830 1.00 0.00 N ATOM 874 NH2 ARG A 56 13.555 0.397 5.423 1.00 0.00 N ATOM 0 H ARG A 56 9.914 -3.243 7.699 1.00 0.00 H new ATOM 0 HA ARG A 56 8.196 -2.858 9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.138 -0.530 9.835 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.345 -1.799 9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.647 -1.615 7.426 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.501 -0.289 7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.939 1.033 8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.051 -0.310 9.069 1.00 0.00 H new ATOM 0 HE ARG A 56 11.964 1.601 6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.759 -1.784 7.650 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.857 -1.936 6.275 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.373 1.364 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.201 -0.172 4.876 1.00 0.00 H new ATOM 888 N GLY A 57 7.159 -1.790 7.057 1.00 0.00 N ATOM 889 CA GLY A 57 6.024 -1.206 6.364 1.00 0.00 C ATOM 890 C GLY A 57 5.129 -2.261 5.745 1.00 0.00 C ATOM 891 O GLY A 57 4.630 -2.085 4.631 1.00 0.00 O ATOM 0 H GLY A 57 7.851 -2.225 6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.444 -0.604 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.383 -0.533 5.585 1.00 0.00 H new ATOM 895 N ARG A 58 4.931 -3.365 6.474 1.00 0.00 N ATOM 896 CA ARG A 58 4.096 -4.471 6.001 1.00 0.00 C ATOM 897 C ARG A 58 2.617 -4.091 5.957 1.00 0.00 C ATOM 898 O ARG A 58 1.817 -4.764 5.302 1.00 0.00 O ATOM 899 CB ARG A 58 4.297 -5.712 6.868 1.00 0.00 C ATOM 900 CG ARG A 58 3.948 -5.522 8.325 1.00 0.00 C ATOM 901 CD ARG A 58 4.002 -6.844 9.061 1.00 0.00 C ATOM 902 NE ARG A 58 3.677 -6.716 10.487 1.00 0.00 N ATOM 903 CZ ARG A 58 4.470 -6.145 11.405 1.00 0.00 C ATOM 904 NH1 ARG A 58 5.671 -5.674 11.079 1.00 0.00 N ATOM 905 NH2 ARG A 58 4.058 -6.059 12.663 1.00 0.00 N ATOM 0 H ARG A 58 5.340 -3.515 7.396 1.00 0.00 H new ATOM 0 HA ARG A 58 4.411 -4.697 4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.691 -6.523 6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.338 -6.026 6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.642 -4.816 8.782 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.951 -5.091 8.413 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.306 -7.542 8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.999 -7.272 8.957 1.00 0.00 H new ATOM 0 HE ARG A 58 2.782 -7.089 10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.002 -5.744 10.117 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.260 -5.243 11.791 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.143 -6.426 12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.656 -5.626 13.367 1.00 0.00 H new ATOM 919 N LEU A 59 2.264 -3.005 6.646 1.00 0.00 N ATOM 920 CA LEU A 59 0.888 -2.522 6.678 1.00 0.00 C ATOM 921 C LEU A 59 0.601 -1.632 5.465 1.00 0.00 C ATOM 922 O LEU A 59 -0.448 -0.987 5.393 1.00 0.00 O ATOM 923 CB LEU A 59 0.625 -1.747 7.978 1.00 0.00 C ATOM 924 CG LEU A 59 0.790 -2.553 9.276 1.00 0.00 C ATOM 925 CD1 LEU A 59 0.803 -1.622 10.480 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.313 -3.596 9.418 1.00 0.00 C ATOM 0 H LEU A 59 2.918 -2.443 7.191 1.00 0.00 H new ATOM 0 HA LEU A 59 0.221 -3.383 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.301 -0.892 8.014 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.390 -1.350 7.944 1.00 0.00 H new ATOM 0 HG LEU A 59 1.744 -3.078 9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.921 -2.208 11.392 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.633 -0.921 10.389 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.135 -1.069 10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.171 -4.151 10.345 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.283 -3.099 9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.274 -4.284 8.573 1.00 0.00 H new ATOM 938 N PHE A 60 1.543 -1.607 4.514 1.00 0.00 N ATOM 939 CA PHE A 60 1.398 -0.802 3.303 1.00 0.00 C ATOM 940 C PHE A 60 1.240 -1.689 2.070 1.00 0.00 C ATOM 941 O PHE A 60 2.112 -2.507 1.755 1.00 0.00 O ATOM 942 CB PHE A 60 2.598 0.142 3.120 1.00 0.00 C ATOM 943 CG PHE A 60 2.653 1.289 4.103 1.00 0.00 C ATOM 944 CD1 PHE A 60 3.038 1.088 5.423 1.00 0.00 C ATOM 945 CD2 PHE A 60 2.332 2.574 3.694 1.00 0.00 C ATOM 946 CE1 PHE A 60 3.095 2.145 6.311 1.00 0.00 C ATOM 947 CE2 PHE A 60 2.390 3.634 4.580 1.00 0.00 C ATOM 948 CZ PHE A 60 2.771 3.419 5.890 1.00 0.00 C ATOM 0 H PHE A 60 2.413 -2.137 4.563 1.00 0.00 H new ATOM 0 HA PHE A 60 0.496 -0.200 3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.516 -0.438 3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.573 0.548 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.296 0.094 5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.033 2.749 2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.393 1.974 7.335 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.137 4.630 4.248 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.815 4.246 6.583 1.00 0.00 H new ATOM 958 N TRP A 61 0.116 -1.510 1.379 1.00 0.00 N ATOM 959 CA TRP A 61 -0.189 -2.274 0.173 1.00 0.00 C ATOM 960 C TRP A 61 -0.071 -1.397 -1.071 1.00 0.00 C ATOM 961 O TRP A 61 -0.775 -0.393 -1.208 1.00 0.00 O ATOM 962 CB TRP A 61 -1.604 -2.872 0.267 1.00 0.00 C ATOM 963 CG TRP A 61 -1.708 -4.177 1.032 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.734 -4.805 1.769 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.877 -5.010 1.139 1.00 0.00 C ATOM 966 NE1 TRP A 61 -1.220 -5.971 2.304 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.531 -6.117 1.940 1.00 0.00 C ATOM 968 CE3 TRP A 61 -4.182 -4.930 0.634 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.438 -7.129 2.246 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -5.079 -5.936 0.941 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.705 -7.023 1.740 1.00 0.00 C ATOM 0 H TRP A 61 -0.604 -0.836 1.638 1.00 0.00 H new ATOM 0 HA TRP A 61 0.535 -3.085 0.090 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.259 -2.140 0.740 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.981 -3.031 -0.743 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.271 -4.434 1.908 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.689 -6.624 2.880 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.482 -4.097 0.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.151 -7.969 2.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -6.087 -5.882 0.557 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.430 -7.792 1.961 1.00 0.00 H new ATOM 982 N GLY A 62 0.826 -1.790 -1.976 1.00 0.00 N ATOM 983 CA GLY A 62 1.032 -1.049 -3.207 1.00 0.00 C ATOM 984 C GLY A 62 -0.002 -1.394 -4.260 1.00 0.00 C ATOM 985 O GLY A 62 -0.664 -2.430 -4.169 1.00 0.00 O ATOM 0 H GLY A 62 1.417 -2.615 -1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.992 0.020 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.028 -1.261 -3.595 1.00 0.00 H new ATOM 989 N GLY A 63 -0.141 -0.522 -5.257 1.00 0.00 N ATOM 990 CA GLY A 63 -1.103 -0.746 -6.316 1.00 0.00 C ATOM 991 C GLY A 63 -1.650 0.552 -6.863 1.00 0.00 C ATOM 992 O GLY A 63 -1.025 1.602 -6.704 1.00 0.00 O ATOM 0 H GLY A 63 0.400 0.338 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.632 -1.310 -7.121 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.924 -1.355 -5.938 1.00 0.00 H new ATOM 996 N SER A 64 -2.810 0.475 -7.509 1.00 0.00 N ATOM 997 CA SER A 64 -3.453 1.652 -8.090 1.00 0.00 C ATOM 998 C SER A 64 -4.956 1.455 -8.207 1.00 0.00 C ATOM 999 O SER A 64 -5.441 0.325 -8.312 1.00 0.00 O ATOM 1000 CB SER A 64 -2.859 1.974 -9.466 1.00 0.00 C ATOM 1001 OG SER A 64 -1.641 2.680 -9.340 1.00 0.00 O ATOM 0 H SER A 64 -3.327 -0.394 -7.644 1.00 0.00 H new ATOM 0 HA SER A 64 -3.266 2.492 -7.421 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.692 1.050 -10.019 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.569 2.567 -10.043 1.00 0.00 H new ATOM 0 HG SER A 64 -1.603 3.390 -10.014 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.684 2.570 -8.193 1.00 0.00 N ATOM 1008 CA VAL A 65 -7.139 2.555 -8.304 1.00 0.00 C ATOM 1009 C VAL A 65 -7.553 2.141 -9.726 1.00 0.00 C ATOM 1010 O VAL A 65 -6.724 2.171 -10.639 1.00 0.00 O ATOM 1011 CB VAL A 65 -7.726 3.952 -7.924 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.359 5.011 -8.956 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -9.234 3.895 -7.715 1.00 0.00 C ATOM 0 H VAL A 65 -5.283 3.504 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.545 1.823 -7.606 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.274 4.239 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.784 5.970 -8.660 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.274 5.098 -9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.756 4.723 -9.929 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.603 4.887 -7.452 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.716 3.560 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.464 3.197 -6.910 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.829 1.743 -9.875 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.423 1.298 -11.152 1.00 0.00 C ATOM 1025 C GLN A 66 -8.806 1.985 -12.377 1.00 0.00 C ATOM 1026 O GLN A 66 -8.599 3.202 -12.384 1.00 0.00 O ATOM 1027 CB GLN A 66 -10.931 1.559 -11.124 1.00 0.00 C ATOM 1028 CG GLN A 66 -11.674 1.001 -12.330 1.00 0.00 C ATOM 1029 CD GLN A 66 -13.138 1.433 -12.425 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -13.563 2.386 -11.594 1.00 0.00 O flip ATOM 1031 NE2 GLN A 66 -13.882 0.920 -13.262 1.00 0.00 N flip ATOM 0 H GLN A 66 -9.490 1.721 -9.098 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.214 0.233 -11.250 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.349 1.122 -10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.103 2.634 -11.068 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.156 1.313 -13.237 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.630 -0.088 -12.297 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.526 0.193 -13.883 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.854 1.222 -13.334 1.00 0.00 H new ATOM 1040 N GLY A 67 -8.517 1.180 -13.406 1.00 0.00 N ATOM 1041 CA GLY A 67 -7.922 1.691 -14.631 1.00 0.00 C ATOM 1042 C GLY A 67 -8.919 2.365 -15.555 1.00 0.00 C ATOM 1043 O GLY A 67 -9.222 1.847 -16.632 1.00 0.00 O ATOM 0 H GLY A 67 -8.688 0.174 -13.408 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.138 2.403 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.444 0.869 -15.163 1.00 0.00 H new ATOM 1047 N ASP A 68 -9.410 3.532 -15.138 1.00 0.00 N ATOM 1048 CA ASP A 68 -10.359 4.305 -15.932 1.00 0.00 C ATOM 1049 C ASP A 68 -9.610 5.389 -16.705 1.00 0.00 C ATOM 1050 O ASP A 68 -10.138 5.967 -17.658 1.00 0.00 O ATOM 1051 CB ASP A 68 -11.425 4.934 -15.022 1.00 0.00 C ATOM 1052 CG ASP A 68 -12.652 5.437 -15.773 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -12.763 5.188 -16.994 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -13.515 6.072 -15.130 1.00 0.00 O ATOM 0 H ASP A 68 -9.162 3.964 -14.248 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.860 3.644 -16.639 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.739 4.197 -14.282 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.979 5.765 -14.475 1.00 0.00 H new ATOM 1059 N TYR A 69 -8.363 5.638 -16.269 1.00 0.00 N ATOM 1060 CA TYR A 69 -7.471 6.635 -16.872 1.00 0.00 C ATOM 1061 C TYR A 69 -8.122 8.018 -16.904 1.00 0.00 C ATOM 1062 O TYR A 69 -8.586 8.486 -17.950 1.00 0.00 O ATOM 1063 CB TYR A 69 -7.032 6.195 -18.279 1.00 0.00 C ATOM 1064 CG TYR A 69 -5.993 5.085 -18.303 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -6.308 3.784 -17.918 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -4.696 5.342 -18.731 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -5.361 2.779 -17.954 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -3.744 4.340 -18.770 1.00 0.00 C ATOM 1069 CZ TYR A 69 -4.081 3.062 -18.380 1.00 0.00 C ATOM 1070 OH TYR A 69 -3.136 2.063 -18.419 1.00 0.00 O ATOM 0 H TYR A 69 -7.945 5.146 -15.480 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.581 6.707 -16.248 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.911 5.863 -18.832 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -6.631 7.060 -18.807 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.310 3.557 -17.586 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.427 6.342 -19.038 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.622 1.776 -17.650 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.741 4.558 -19.105 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.287 2.429 -18.744 1.00 0.00 H new ATOM 1080 N TYR A 70 -8.156 8.658 -15.736 1.00 0.00 N ATOM 1081 CA TYR A 70 -8.749 9.984 -15.595 1.00 0.00 C ATOM 1082 C TYR A 70 -7.681 11.068 -15.731 1.00 0.00 C ATOM 1083 O TYR A 70 -7.994 12.242 -15.947 1.00 0.00 O ATOM 1084 CB TYR A 70 -9.454 10.096 -14.236 1.00 0.00 C ATOM 1085 CG TYR A 70 -10.548 11.144 -14.180 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -11.707 11.011 -14.939 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -10.421 12.263 -13.368 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -12.705 11.964 -14.889 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -11.416 13.221 -13.312 1.00 0.00 C ATOM 1090 CZ TYR A 70 -12.556 13.066 -14.075 1.00 0.00 C ATOM 1091 OH TYR A 70 -13.548 14.018 -14.022 1.00 0.00 O ATOM 0 H TYR A 70 -7.777 8.275 -14.870 1.00 0.00 H new ATOM 0 HA TYR A 70 -9.482 10.127 -16.389 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -9.883 9.127 -13.983 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -8.710 10.324 -13.473 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.828 10.148 -15.577 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.530 12.387 -12.770 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.598 11.846 -15.485 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.302 14.086 -12.675 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.287 14.729 -13.400 1.00 0.00 H new ATOM 1101 N GLY A 71 -6.420 10.655 -15.604 1.00 0.00 N ATOM 1102 CA GLY A 71 -5.305 11.579 -15.713 1.00 0.00 C ATOM 1103 C GLY A 71 -3.968 10.903 -15.477 1.00 0.00 C ATOM 1104 O GLY A 71 -3.196 10.698 -16.417 1.00 0.00 O ATOM 0 H GLY A 71 -6.151 9.687 -15.426 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.309 12.034 -16.704 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.433 12.386 -14.991 1.00 0.00 H new ATOM 1108 N ASP A 72 -3.699 10.559 -14.215 1.00 0.00 N ATOM 1109 CA ASP A 72 -2.449 9.900 -13.837 1.00 0.00 C ATOM 1110 C ASP A 72 -2.660 8.954 -12.648 1.00 0.00 C ATOM 1111 O ASP A 72 -1.785 8.806 -11.789 1.00 0.00 O ATOM 1112 CB ASP A 72 -1.372 10.951 -13.517 1.00 0.00 C ATOM 1113 CG ASP A 72 -1.845 12.015 -12.538 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -2.145 11.671 -11.375 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -1.916 13.196 -12.939 1.00 0.00 O ATOM 0 H ASP A 72 -4.334 10.728 -13.435 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.109 9.299 -14.680 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.496 10.450 -13.104 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.057 11.433 -14.443 1.00 0.00 H new ATOM 1120 N LEU A 73 -3.832 8.315 -12.612 1.00 0.00 N ATOM 1121 CA LEU A 73 -4.175 7.383 -11.538 1.00 0.00 C ATOM 1122 C LEU A 73 -3.525 6.014 -11.752 1.00 0.00 C ATOM 1123 O LEU A 73 -2.574 5.660 -11.049 1.00 0.00 O ATOM 1124 CB LEU A 73 -5.699 7.239 -11.422 1.00 0.00 C ATOM 1125 CG LEU A 73 -6.445 8.481 -10.912 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -7.944 8.308 -11.095 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -6.120 8.742 -9.445 1.00 0.00 C ATOM 0 H LEU A 73 -4.560 8.427 -13.317 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.786 7.793 -10.606 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.097 6.975 -12.402 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.918 6.406 -10.754 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.116 9.341 -11.495 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.460 9.196 -10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.168 8.168 -12.153 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.281 7.436 -10.535 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.659 9.626 -9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.420 7.881 -8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.048 8.905 -9.333 1.00 0.00 H new ATOM 1139 N ALA A 74 -4.041 5.251 -12.719 1.00 0.00 N ATOM 1140 CA ALA A 74 -3.509 3.923 -13.018 1.00 0.00 C ATOM 1141 C ALA A 74 -2.525 3.979 -14.188 1.00 0.00 C ATOM 1142 O ALA A 74 -2.752 3.377 -15.243 1.00 0.00 O ATOM 1143 CB ALA A 74 -4.647 2.947 -13.305 1.00 0.00 C ATOM 0 H ALA A 74 -4.826 5.532 -13.307 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.964 3.566 -12.144 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.235 1.962 -13.526 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.298 2.881 -12.433 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.222 3.300 -14.161 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.426 4.714 -13.992 1.00 0.00 N ATOM 1150 CA ALA A 75 -0.400 4.862 -15.022 1.00 0.00 C ATOM 1151 C ALA A 75 0.994 4.980 -14.414 1.00 0.00 C ATOM 1152 O ALA A 75 1.946 4.374 -14.911 1.00 0.00 O ATOM 1153 CB ALA A 75 -0.697 6.075 -15.892 1.00 0.00 C ATOM 0 H ALA A 75 -1.226 5.216 -13.127 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.419 3.964 -15.640 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.075 6.173 -16.655 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.668 5.950 -16.372 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.712 6.972 -15.273 1.00 0.00 H new ATOM 1159 N ARG A 76 1.111 5.773 -13.344 1.00 0.00 N ATOM 1160 CA ARG A 76 2.398 5.979 -12.677 1.00 0.00 C ATOM 1161 C ARG A 76 2.606 5.002 -11.526 1.00 0.00 C ATOM 1162 O ARG A 76 3.739 4.799 -11.080 1.00 0.00 O ATOM 1163 CB ARG A 76 2.529 7.426 -12.178 1.00 0.00 C ATOM 1164 CG ARG A 76 1.436 7.851 -11.202 1.00 0.00 C ATOM 1165 CD ARG A 76 1.668 9.262 -10.679 1.00 0.00 C ATOM 1166 NE ARG A 76 1.644 10.262 -11.747 1.00 0.00 N ATOM 1167 CZ ARG A 76 1.830 11.573 -11.558 1.00 0.00 C ATOM 1168 NH1 ARG A 76 2.055 12.062 -10.342 1.00 0.00 N ATOM 1169 NH2 ARG A 76 1.790 12.398 -12.595 1.00 0.00 N ATOM 0 H ARG A 76 0.333 6.280 -12.923 1.00 0.00 H new ATOM 0 HA ARG A 76 3.176 5.789 -13.416 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.499 7.546 -11.695 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.515 8.097 -13.037 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.466 7.801 -11.697 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.403 7.153 -10.365 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.903 9.504 -9.941 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.629 9.304 -10.167 1.00 0.00 H new ATOM 0 HE ARG A 76 1.474 9.938 -12.699 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.088 11.435 -9.538 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.195 13.064 -10.213 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.618 12.032 -13.531 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.931 13.399 -12.456 1.00 0.00 H new ATOM 1183 N LEU A 77 1.496 4.409 -11.069 1.00 0.00 N ATOM 1184 CA LEU A 77 1.478 3.428 -9.962 1.00 0.00 C ATOM 1185 C LEU A 77 1.885 4.078 -8.626 1.00 0.00 C ATOM 1186 O LEU A 77 2.738 4.968 -8.593 1.00 0.00 O ATOM 1187 CB LEU A 77 2.367 2.210 -10.311 1.00 0.00 C ATOM 1188 CG LEU A 77 2.268 0.980 -9.390 1.00 0.00 C ATOM 1189 CD1 LEU A 77 0.828 0.542 -9.190 1.00 0.00 C ATOM 1190 CD2 LEU A 77 3.066 -0.168 -9.974 1.00 0.00 C ATOM 0 H LEU A 77 0.572 4.595 -11.458 1.00 0.00 H new ATOM 0 HA LEU A 77 0.456 3.070 -9.834 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.123 1.893 -11.325 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.405 2.542 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 77 2.675 1.262 -8.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.800 -0.328 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.260 1.355 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.389 0.284 -10.154 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.991 -1.034 -9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.671 -0.423 -10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.111 0.126 -10.069 1.00 0.00 H new ATOM 1202 N GLY A 78 1.254 3.649 -7.520 1.00 0.00 N ATOM 1203 CA GLY A 78 1.567 4.237 -6.223 1.00 0.00 C ATOM 1204 C GLY A 78 1.402 3.279 -5.062 1.00 0.00 C ATOM 1205 O GLY A 78 1.473 2.063 -5.236 1.00 0.00 O ATOM 0 H GLY A 78 0.544 2.917 -7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.594 4.601 -6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.924 5.102 -6.062 1.00 0.00 H new ATOM 1209 N TYR A 79 1.195 3.845 -3.865 1.00 0.00 N ATOM 1210 CA TYR A 79 1.028 3.061 -2.639 1.00 0.00 C ATOM 1211 C TYR A 79 -0.122 3.611 -1.795 1.00 0.00 C ATOM 1212 O TYR A 79 -0.477 4.794 -1.905 1.00 0.00 O ATOM 1213 CB TYR A 79 2.321 3.060 -1.801 1.00 0.00 C ATOM 1214 CG TYR A 79 3.545 2.522 -2.523 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.830 1.163 -2.525 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.404 3.372 -3.211 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.933 0.666 -3.190 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.509 2.883 -3.878 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.769 1.529 -3.865 1.00 0.00 C ATOM 1220 OH TYR A 79 6.868 1.036 -4.526 1.00 0.00 O ATOM 0 H TYR A 79 1.139 4.853 -3.722 1.00 0.00 H new ATOM 0 HA TYR A 79 0.798 2.038 -2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.527 4.079 -1.475 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.155 2.465 -0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.178 0.483 -1.997 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.203 4.433 -3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.140 -0.394 -3.181 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.166 3.557 -4.407 1.00 0.00 H new ATOM 0 HH TYR A 79 6.622 0.812 -5.448 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.694 2.742 -0.953 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.806 3.118 -0.076 1.00 0.00 C ATOM 1232 C PHE A 80 -1.854 2.213 1.170 1.00 0.00 C ATOM 1233 O PHE A 80 -1.480 1.043 1.086 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.146 3.062 -0.850 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.441 1.744 -1.534 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -4.086 0.716 -0.859 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.069 1.538 -2.853 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.352 -0.486 -1.486 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.332 0.337 -3.484 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.973 -0.675 -2.800 1.00 0.00 C ATOM 0 H PHE A 80 -0.402 1.769 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.646 4.142 0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -3.957 3.283 -0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.146 3.851 -1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.384 0.858 0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.567 2.326 -3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.856 -1.276 -0.949 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.036 0.191 -4.512 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.178 -1.614 -3.292 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.310 2.727 2.349 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.388 1.921 3.577 1.00 0.00 C ATOM 1252 C PRO A 81 -3.494 0.871 3.495 1.00 0.00 C ATOM 1253 O PRO A 81 -4.606 1.165 3.059 1.00 0.00 O ATOM 1254 CB PRO A 81 -2.705 2.943 4.681 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.507 4.284 4.058 1.00 0.00 C ATOM 1256 CD PRO A 81 -2.779 4.105 2.595 1.00 0.00 C ATOM 0 HA PRO A 81 -1.465 1.369 3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.727 2.826 5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.047 2.809 5.539 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.183 5.020 4.493 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.492 4.646 4.225 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.837 4.221 2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.238 4.832 1.990 1.00 0.00 H new ATOM 1264 N SER A 82 -3.178 -0.354 3.917 1.00 0.00 N ATOM 1265 CA SER A 82 -4.142 -1.458 3.890 1.00 0.00 C ATOM 1266 C SER A 82 -5.315 -1.201 4.842 1.00 0.00 C ATOM 1267 O SER A 82 -6.388 -1.790 4.688 1.00 0.00 O ATOM 1268 CB SER A 82 -3.443 -2.770 4.260 1.00 0.00 C ATOM 1269 OG SER A 82 -2.941 -2.727 5.585 1.00 0.00 O ATOM 0 H SER A 82 -2.260 -0.608 4.283 1.00 0.00 H new ATOM 0 HA SER A 82 -4.542 -1.532 2.879 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.144 -3.599 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.625 -2.958 3.564 1.00 0.00 H new ATOM 0 HG SER A 82 -2.137 -2.168 5.612 1.00 0.00 H new ATOM 1275 N SER A 83 -5.092 -0.321 5.821 1.00 0.00 N ATOM 1276 CA SER A 83 -6.107 0.024 6.819 1.00 0.00 C ATOM 1277 C SER A 83 -7.312 0.758 6.219 1.00 0.00 C ATOM 1278 O SER A 83 -8.389 0.759 6.820 1.00 0.00 O ATOM 1279 CB SER A 83 -5.483 0.882 7.921 1.00 0.00 C ATOM 1280 OG SER A 83 -4.432 0.190 8.573 1.00 0.00 O ATOM 0 H SER A 83 -4.207 0.171 5.944 1.00 0.00 H new ATOM 0 HA SER A 83 -6.475 -0.916 7.231 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.101 1.809 7.492 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.247 1.158 8.648 1.00 0.00 H new ATOM 0 HG SER A 83 -4.049 0.760 9.272 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.140 1.389 5.048 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.250 2.119 4.421 1.00 0.00 C ATOM 1288 C ILE A 84 -8.991 1.271 3.385 1.00 0.00 C ATOM 1289 O ILE A 84 -10.008 1.708 2.841 1.00 0.00 O ATOM 1290 CB ILE A 84 -7.799 3.446 3.767 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -6.875 3.196 2.575 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.119 4.336 4.803 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.695 4.407 1.695 1.00 0.00 C ATOM 0 H ILE A 84 -6.264 1.409 4.526 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.933 2.353 5.238 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.685 3.958 3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.900 2.874 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.278 2.378 1.978 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.805 5.268 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.818 4.555 5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.247 3.822 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.028 4.160 0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.663 4.717 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.264 5.220 2.279 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.486 0.062 3.113 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.123 -0.824 2.136 1.00 0.00 C ATOM 1307 C VAL A 85 -9.502 -2.162 2.758 1.00 0.00 C ATOM 1308 O VAL A 85 -9.025 -2.513 3.839 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.226 -1.063 0.893 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -8.054 0.223 0.098 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -6.867 -1.628 1.290 1.00 0.00 C ATOM 0 H VAL A 85 -7.648 -0.321 3.551 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.031 -0.316 1.810 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.725 -1.799 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.422 0.033 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.029 0.578 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.588 0.981 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.263 -1.784 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.361 -0.926 1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.005 -2.579 1.805 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.377 -2.898 2.069 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.836 -4.193 2.552 1.00 0.00 C ATOM 1323 C ARG A 86 -10.892 -5.218 1.419 1.00 0.00 C ATOM 1324 O ARG A 86 -11.687 -5.082 0.482 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.213 -4.043 3.204 1.00 0.00 C ATOM 1326 CG ARG A 86 -12.679 -5.285 3.952 1.00 0.00 C ATOM 1327 CD ARG A 86 -13.995 -5.041 4.676 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.097 -4.724 3.758 1.00 0.00 N ATOM 1329 CZ ARG A 86 -15.680 -5.602 2.929 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -15.311 -6.880 2.911 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -16.650 -5.194 2.122 1.00 0.00 N ATOM 0 H ARG A 86 -10.779 -2.615 1.175 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.124 -4.556 3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.187 -3.202 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.944 -3.799 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.797 -6.111 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.917 -5.585 4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.255 -5.926 5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.869 -4.221 5.383 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.444 -3.765 3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.573 -7.207 3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.766 -7.533 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.948 -4.218 2.135 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.098 -5.856 1.488 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.039 -6.245 1.522 1.00 0.00 N ATOM 1346 CA GLU A 87 -9.967 -7.312 0.542 1.00 0.00 C ATOM 1347 C GLU A 87 -11.224 -8.176 0.615 1.00 0.00 C ATOM 1348 O GLU A 87 -11.628 -8.604 1.699 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.699 -8.132 0.818 1.00 0.00 C ATOM 1350 CG GLU A 87 -8.422 -9.247 -0.164 1.00 0.00 C ATOM 1351 CD GLU A 87 -9.177 -10.531 0.134 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -8.997 -11.086 1.239 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -9.945 -10.985 -0.740 1.00 0.00 O ATOM 0 H GLU A 87 -9.381 -6.351 2.294 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.915 -6.905 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.844 -7.456 0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.774 -8.561 1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.683 -8.908 -1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.353 -9.458 -0.167 1.00 0.00 H new ATOM 1360 N ASP A 88 -11.842 -8.414 -0.542 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.062 -9.213 -0.610 1.00 0.00 C ATOM 1362 C ASP A 88 -12.934 -10.347 -1.625 1.00 0.00 C ATOM 1363 O ASP A 88 -13.502 -11.426 -1.426 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.254 -8.318 -0.969 1.00 0.00 C ATOM 1365 CG ASP A 88 -15.578 -9.061 -0.948 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -15.956 -9.575 0.128 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -16.237 -9.130 -2.006 1.00 0.00 O ATOM 0 H ASP A 88 -11.517 -8.064 -1.443 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.225 -9.660 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.300 -7.484 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.097 -7.893 -1.960 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.203 -10.099 -2.717 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.034 -11.117 -3.764 1.00 0.00 C ATOM 1374 C GLN A 89 -10.622 -11.091 -4.363 1.00 0.00 C ATOM 1375 O GLN A 89 -10.158 -10.048 -4.821 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.070 -10.878 -4.877 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.581 -12.138 -5.584 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.487 -12.975 -6.223 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.955 -13.895 -5.601 1.00 0.00 O ATOM 1380 NE2 GLN A 89 -12.131 -12.647 -7.461 1.00 0.00 N ATOM 0 H GLN A 89 -11.725 -9.217 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.184 -12.096 -3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -13.923 -10.352 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.630 -10.217 -5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -14.120 -12.753 -4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.296 -11.846 -6.353 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.599 -11.877 -7.939 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.390 -13.165 -7.933 1.00 0.00 H new ATOM 1389 N THR A 90 -9.966 -12.259 -4.388 1.00 0.00 N ATOM 1390 CA THR A 90 -8.625 -12.393 -4.968 1.00 0.00 C ATOM 1391 C THR A 90 -8.759 -12.716 -6.458 1.00 0.00 C ATOM 1392 O THR A 90 -9.437 -13.675 -6.831 1.00 0.00 O ATOM 1393 CB THR A 90 -7.832 -13.498 -4.249 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.781 -13.249 -2.856 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.399 -13.656 -4.735 1.00 0.00 C ATOM 0 H THR A 90 -10.345 -13.128 -4.011 1.00 0.00 H new ATOM 0 HA THR A 90 -8.082 -11.456 -4.844 1.00 0.00 H new ATOM 0 HB THR A 90 -8.370 -14.418 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.274 -13.962 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.911 -14.455 -4.177 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.400 -13.903 -5.797 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.857 -12.723 -4.580 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.128 -11.903 -7.301 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.201 -12.088 -8.750 1.00 0.00 C ATOM 1405 C LEU A 91 -7.128 -13.046 -9.244 1.00 0.00 C ATOM 1406 O LEU A 91 -7.387 -13.873 -10.124 1.00 0.00 O ATOM 1407 CB LEU A 91 -8.055 -10.737 -9.461 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.986 -9.620 -8.963 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.637 -8.305 -9.637 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.449 -9.970 -9.206 1.00 0.00 C ATOM 0 H LEU A 91 -7.560 -11.109 -7.007 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.175 -12.520 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.024 -10.400 -9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.233 -10.886 -10.526 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.842 -9.515 -7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.304 -7.522 -9.275 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.606 -8.039 -9.404 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.750 -8.408 -10.716 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.082 -9.160 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.617 -10.111 -10.274 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.696 -10.890 -8.675 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.932 -12.936 -8.674 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.819 -13.801 -9.056 1.00 0.00 C ATOM 1424 C LYS A 92 -3.833 -13.964 -7.884 1.00 0.00 C ATOM 1425 O LYS A 92 -3.370 -12.965 -7.335 1.00 0.00 O ATOM 1426 CB LYS A 92 -4.117 -13.249 -10.306 1.00 0.00 C ATOM 1427 CG LYS A 92 -3.266 -14.295 -11.029 1.00 0.00 C ATOM 1428 CD LYS A 92 -3.118 -14.006 -12.524 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.423 -14.216 -13.285 1.00 0.00 C ATOM 1430 NZ LYS A 92 -4.269 -13.937 -14.740 1.00 0.00 N ATOM 0 H LYS A 92 -5.708 -12.257 -7.946 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.210 -14.789 -9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.867 -12.861 -10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.484 -12.410 -10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.278 -14.333 -10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.717 -15.279 -10.896 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.781 -12.979 -12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.347 -14.653 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.763 -15.242 -13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.194 -13.566 -12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.178 -14.091 -15.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.969 -12.950 -14.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.552 -14.574 -15.142 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.522 -15.230 -7.464 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.616 -15.505 -6.336 1.00 0.00 C ATOM 1446 C PRO A 93 -1.288 -14.750 -6.397 1.00 0.00 C ATOM 1447 O PRO A 93 -0.588 -14.778 -7.413 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.342 -17.005 -6.426 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.407 -17.594 -7.279 1.00 0.00 C ATOM 1450 CD PRO A 93 -4.063 -16.480 -8.040 1.00 0.00 C ATOM 0 HA PRO A 93 -3.082 -15.181 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.358 -17.192 -6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.348 -17.458 -5.435 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.983 -18.326 -7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.139 -18.119 -6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.840 -16.549 -9.105 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.147 -16.521 -7.938 1.00 0.00 H new ATOM 1458 N GLY A 94 -0.948 -14.103 -5.281 1.00 0.00 N ATOM 1459 CA GLY A 94 0.302 -13.366 -5.175 1.00 0.00 C ATOM 1460 C GLY A 94 1.263 -14.071 -4.245 1.00 0.00 C ATOM 1461 O GLY A 94 1.296 -13.795 -3.044 1.00 0.00 O ATOM 0 H GLY A 94 -1.524 -14.077 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.753 -13.263 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.106 -12.359 -4.807 1.00 0.00 H new ATOM 1465 N LYS A 95 2.017 -15.010 -4.806 1.00 0.00 N ATOM 1466 CA LYS A 95 2.969 -15.812 -4.036 1.00 0.00 C ATOM 1467 C LYS A 95 4.383 -15.766 -4.629 1.00 0.00 C ATOM 1468 O LYS A 95 5.152 -16.726 -4.506 1.00 0.00 O ATOM 1469 CB LYS A 95 2.458 -17.256 -3.945 1.00 0.00 C ATOM 1470 CG LYS A 95 1.898 -17.777 -5.258 1.00 0.00 C ATOM 1471 CD LYS A 95 1.346 -19.184 -5.119 1.00 0.00 C ATOM 1472 CE LYS A 95 0.865 -19.732 -6.455 1.00 0.00 C ATOM 1473 NZ LYS A 95 1.971 -19.842 -7.446 1.00 0.00 N ATOM 0 H LYS A 95 1.989 -15.238 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 95 3.041 -15.386 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.274 -17.903 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.684 -17.313 -3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.109 -17.110 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.681 -17.767 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.117 -19.839 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.521 -19.183 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.416 -20.713 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.085 -19.083 -6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.662 -20.429 -8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.225 -18.894 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.799 -20.280 -6.995 1.00 0.00 H new ATOM 1487 N VAL A 96 4.722 -14.638 -5.257 1.00 0.00 N ATOM 1488 CA VAL A 96 6.045 -14.446 -5.861 1.00 0.00 C ATOM 1489 C VAL A 96 6.716 -13.205 -5.262 1.00 0.00 C ATOM 1490 O VAL A 96 6.290 -12.076 -5.512 1.00 0.00 O ATOM 1491 CB VAL A 96 5.957 -14.307 -7.406 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.347 -14.213 -8.030 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.182 -15.472 -8.013 1.00 0.00 C ATOM 0 H VAL A 96 4.096 -13.839 -5.361 1.00 0.00 H new ATOM 0 HA VAL A 96 6.644 -15.330 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 96 5.421 -13.383 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.254 -14.117 -9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.867 -13.342 -7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.914 -15.113 -7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.134 -15.352 -9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.686 -16.408 -7.773 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.172 -15.489 -7.605 1.00 0.00 H new ATOM 1503 N ASP A 97 7.758 -13.432 -4.458 1.00 0.00 N ATOM 1504 CA ASP A 97 8.487 -12.345 -3.799 1.00 0.00 C ATOM 1505 C ASP A 97 9.394 -11.597 -4.780 1.00 0.00 C ATOM 1506 O ASP A 97 10.296 -12.185 -5.382 1.00 0.00 O ATOM 1507 CB ASP A 97 9.310 -12.906 -2.630 1.00 0.00 C ATOM 1508 CG ASP A 97 9.890 -11.823 -1.732 1.00 0.00 C ATOM 1509 OD1 ASP A 97 10.751 -11.050 -2.201 1.00 0.00 O ATOM 1510 OD2 ASP A 97 9.479 -11.750 -0.554 1.00 0.00 O ATOM 0 H ASP A 97 8.117 -14.363 -4.247 1.00 0.00 H new ATOM 0 HA ASP A 97 7.758 -11.630 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.679 -13.565 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.123 -13.515 -3.025 1.00 0.00 H new ATOM 1515 N VAL A 98 9.142 -10.289 -4.921 1.00 0.00 N ATOM 1516 CA VAL A 98 9.924 -9.425 -5.813 1.00 0.00 C ATOM 1517 C VAL A 98 10.424 -8.198 -5.043 1.00 0.00 C ATOM 1518 O VAL A 98 9.649 -7.543 -4.347 1.00 0.00 O ATOM 1519 CB VAL A 98 9.092 -8.949 -7.037 1.00 0.00 C ATOM 1520 CG1 VAL A 98 9.972 -8.217 -8.044 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.378 -10.116 -7.709 1.00 0.00 C ATOM 0 H VAL A 98 8.396 -9.803 -4.424 1.00 0.00 H new ATOM 0 HA VAL A 98 10.766 -10.013 -6.179 1.00 0.00 H new ATOM 0 HB VAL A 98 8.337 -8.255 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.366 -7.895 -8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.423 -7.346 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 98 10.758 -8.886 -8.395 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.805 -9.750 -8.561 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.113 -10.844 -8.052 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.704 -10.590 -6.995 1.00 0.00 H new ATOM 1531 N LYS A 99 11.718 -7.895 -5.173 1.00 0.00 N ATOM 1532 CA LYS A 99 12.317 -6.742 -4.488 1.00 0.00 C ATOM 1533 C LYS A 99 11.987 -5.436 -5.220 1.00 0.00 C ATOM 1534 O LYS A 99 11.560 -5.458 -6.377 1.00 0.00 O ATOM 1535 CB LYS A 99 13.840 -6.918 -4.369 1.00 0.00 C ATOM 1536 CG LYS A 99 14.551 -7.099 -5.699 1.00 0.00 C ATOM 1537 CD LYS A 99 16.058 -7.188 -5.517 1.00 0.00 C ATOM 1538 CE LYS A 99 16.770 -7.372 -6.848 1.00 0.00 C ATOM 1539 NZ LYS A 99 18.246 -7.464 -6.681 1.00 0.00 N ATOM 0 H LYS A 99 12.372 -8.430 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 99 11.892 -6.687 -3.486 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.257 -6.047 -3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.047 -7.783 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.188 -8.004 -6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.312 -6.264 -6.358 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.421 -6.282 -5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.297 -8.022 -4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.403 -8.276 -7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.531 -6.537 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.694 -7.589 -7.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.601 -6.591 -6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.477 -8.276 -6.074 1.00 0.00 H new ATOM 1553 N THR A 100 12.184 -4.301 -4.536 1.00 0.00 N ATOM 1554 CA THR A 100 11.901 -2.986 -5.123 1.00 0.00 C ATOM 1555 C THR A 100 13.172 -2.336 -5.670 1.00 0.00 C ATOM 1556 O THR A 100 14.274 -2.592 -5.178 1.00 0.00 O ATOM 1557 CB THR A 100 11.249 -2.058 -4.089 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.141 -1.784 -3.024 1.00 0.00 O ATOM 1559 CG2 THR A 100 9.980 -2.622 -3.486 1.00 0.00 C ATOM 0 H THR A 100 12.537 -4.267 -3.580 1.00 0.00 H new ATOM 0 HA THR A 100 11.208 -3.141 -5.950 1.00 0.00 H new ATOM 0 HB THR A 100 10.999 -1.152 -4.640 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.195 -2.564 -2.433 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.574 -1.913 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.248 -2.796 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.203 -3.564 -2.984 1.00 0.00 H new ATOM 1567 N ASP A 101 12.998 -1.485 -6.685 1.00 0.00 N ATOM 1568 CA ASP A 101 14.112 -0.773 -7.316 1.00 0.00 C ATOM 1569 C ASP A 101 14.007 0.726 -7.037 1.00 0.00 C ATOM 1570 O ASP A 101 13.180 1.149 -6.224 1.00 0.00 O ATOM 1571 CB ASP A 101 14.126 -1.037 -8.826 1.00 0.00 C ATOM 1572 CG ASP A 101 14.382 -2.494 -9.168 1.00 0.00 C ATOM 1573 OD1 ASP A 101 13.544 -3.350 -8.808 1.00 0.00 O ATOM 1574 OD2 ASP A 101 15.421 -2.780 -9.799 1.00 0.00 O ATOM 0 H ASP A 101 12.087 -1.271 -7.090 1.00 0.00 H new ATOM 0 HA ASP A 101 15.047 -1.141 -6.892 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.170 -0.731 -9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 101 14.894 -0.419 -9.291 1.00 0.00 H new ATOM 1579 N LYS A 102 14.844 1.530 -7.707 1.00 0.00 N ATOM 1580 CA LYS A 102 14.827 2.981 -7.509 1.00 0.00 C ATOM 1581 C LYS A 102 13.773 3.667 -8.382 1.00 0.00 C ATOM 1582 O LYS A 102 13.653 4.890 -8.360 1.00 0.00 O ATOM 1583 CB LYS A 102 16.226 3.600 -7.728 1.00 0.00 C ATOM 1584 CG LYS A 102 16.890 3.316 -9.077 1.00 0.00 C ATOM 1585 CD LYS A 102 16.499 4.318 -10.155 1.00 0.00 C ATOM 1586 CE LYS A 102 17.277 5.619 -10.046 1.00 0.00 C ATOM 1587 NZ LYS A 102 16.902 6.580 -11.121 1.00 0.00 N ATOM 0 H LYS A 102 15.534 1.202 -8.383 1.00 0.00 H new ATOM 0 HA LYS A 102 14.547 3.155 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.145 4.680 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 102 16.887 3.240 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.973 3.328 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.618 2.313 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 102 16.670 3.877 -11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 102 15.432 4.529 -10.082 1.00 0.00 H new ATOM 0 HE2 LYS A 102 17.092 6.073 -9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.345 5.409 -10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 17.759 7.039 -11.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.423 6.070 -11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 16.262 7.302 -10.733 1.00 0.00 H new ATOM 1601 N TRP A 103 13.006 2.879 -9.134 1.00 0.00 N ATOM 1602 CA TRP A 103 11.952 3.427 -9.992 1.00 0.00 C ATOM 1603 C TRP A 103 10.570 3.136 -9.402 1.00 0.00 C ATOM 1604 O TRP A 103 9.556 3.199 -10.106 1.00 0.00 O ATOM 1605 CB TRP A 103 12.037 2.846 -11.409 1.00 0.00 C ATOM 1606 CG TRP A 103 13.334 3.107 -12.117 1.00 0.00 C ATOM 1607 CD1 TRP A 103 14.408 2.269 -12.191 1.00 0.00 C ATOM 1608 CD2 TRP A 103 13.698 4.291 -12.839 1.00 0.00 C ATOM 1609 NE1 TRP A 103 15.406 2.845 -12.940 1.00 0.00 N ATOM 1610 CE2 TRP A 103 14.996 4.088 -13.345 1.00 0.00 C ATOM 1611 CE3 TRP A 103 13.049 5.497 -13.112 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 15.655 5.047 -14.108 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 13.706 6.450 -13.867 1.00 0.00 C ATOM 1614 CH2 TRP A 103 14.997 6.220 -14.359 1.00 0.00 C ATOM 0 H TRP A 103 13.092 1.863 -9.168 1.00 0.00 H new ATOM 0 HA TRP A 103 12.099 4.506 -10.046 1.00 0.00 H new ATOM 0 HB2 TRP A 103 11.878 1.769 -11.355 1.00 0.00 H new ATOM 0 HB3 TRP A 103 11.224 3.259 -12.006 1.00 0.00 H new ATOM 0 HD1 TRP A 103 14.466 1.295 -11.728 1.00 0.00 H new ATOM 0 HE1 TRP A 103 16.306 2.417 -13.159 1.00 0.00 H new ATOM 0 HE3 TRP A 103 12.052 5.682 -12.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 16.650 4.872 -14.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 13.216 7.388 -14.081 1.00 0.00 H new ATOM 0 HH2 TRP A 103 15.483 6.984 -14.948 1.00 0.00 H new ATOM 1625 N ASP A 104 10.542 2.807 -8.109 1.00 0.00 N ATOM 1626 CA ASP A 104 9.295 2.489 -7.416 1.00 0.00 C ATOM 1627 C ASP A 104 8.813 3.651 -6.546 1.00 0.00 C ATOM 1628 O ASP A 104 7.607 3.872 -6.414 1.00 0.00 O ATOM 1629 CB ASP A 104 9.482 1.219 -6.574 1.00 0.00 C ATOM 1630 CG ASP A 104 9.605 -0.041 -7.422 1.00 0.00 C ATOM 1631 OD1 ASP A 104 9.593 0.064 -8.669 1.00 0.00 O ATOM 1632 OD2 ASP A 104 9.712 -1.136 -6.837 1.00 0.00 O ATOM 0 H ASP A 104 11.373 2.754 -7.520 1.00 0.00 H new ATOM 0 HA ASP A 104 8.525 2.314 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.375 1.325 -5.958 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.637 1.112 -5.894 1.00 0.00 H new ATOM 1637 N PHE A 105 9.759 4.390 -5.959 1.00 0.00 N ATOM 1638 CA PHE A 105 9.432 5.536 -5.100 1.00 0.00 C ATOM 1639 C PHE A 105 10.461 6.662 -5.261 1.00 0.00 C ATOM 1640 O PHE A 105 11.151 7.044 -4.310 1.00 0.00 O ATOM 1641 CB PHE A 105 9.304 5.099 -3.620 1.00 0.00 C ATOM 1642 CG PHE A 105 10.198 3.950 -3.195 1.00 0.00 C ATOM 1643 CD1 PHE A 105 11.582 4.083 -3.139 1.00 0.00 C ATOM 1644 CD2 PHE A 105 9.636 2.730 -2.852 1.00 0.00 C ATOM 1645 CE1 PHE A 105 12.377 3.023 -2.750 1.00 0.00 C ATOM 1646 CE2 PHE A 105 10.429 1.668 -2.462 1.00 0.00 C ATOM 1647 CZ PHE A 105 11.800 1.815 -2.411 1.00 0.00 C ATOM 0 H PHE A 105 10.759 4.216 -6.062 1.00 0.00 H new ATOM 0 HA PHE A 105 8.465 5.927 -5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.522 5.959 -2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.268 4.818 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 105 12.039 5.025 -3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 105 8.564 2.608 -2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 105 13.450 3.139 -2.711 1.00 0.00 H new ATOM 0 HE2 PHE A 105 9.976 0.724 -2.197 1.00 0.00 H new ATOM 0 HZ PHE A 105 12.421 0.986 -2.106 1.00 0.00 H new ATOM 1657 N TYR A 106 10.557 7.183 -6.488 1.00 0.00 N ATOM 1658 CA TYR A 106 11.500 8.254 -6.810 1.00 0.00 C ATOM 1659 C TYR A 106 10.957 9.124 -7.950 1.00 0.00 C ATOM 1660 O TYR A 106 11.127 8.803 -9.130 1.00 0.00 O ATOM 1661 CB TYR A 106 12.854 7.610 -7.171 1.00 0.00 C ATOM 1662 CG TYR A 106 14.029 8.536 -7.479 1.00 0.00 C ATOM 1663 CD1 TYR A 106 14.151 9.825 -6.950 1.00 0.00 C ATOM 1664 CD2 TYR A 106 15.042 8.079 -8.311 1.00 0.00 C ATOM 1665 CE1 TYR A 106 15.243 10.617 -7.255 1.00 0.00 C ATOM 1666 CE2 TYR A 106 16.134 8.861 -8.615 1.00 0.00 C ATOM 1667 CZ TYR A 106 16.231 10.131 -8.087 1.00 0.00 C ATOM 1668 OH TYR A 106 17.321 10.915 -8.386 1.00 0.00 O ATOM 0 H TYR A 106 9.989 6.877 -7.278 1.00 0.00 H new ATOM 0 HA TYR A 106 11.637 8.913 -5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 106 13.147 6.963 -6.344 1.00 0.00 H new ATOM 0 HB3 TYR A 106 12.698 6.969 -8.038 1.00 0.00 H new ATOM 0 HD1 TYR A 106 13.382 10.207 -6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 106 14.972 7.086 -8.730 1.00 0.00 H new ATOM 0 HE1 TYR A 106 15.322 11.612 -6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 106 16.910 8.482 -9.263 1.00 0.00 H new ATOM 0 HH TYR A 106 17.070 11.582 -9.058 1.00 0.00 H new ATOM 1678 N CYS A 107 10.300 10.228 -7.578 1.00 0.00 N ATOM 1679 CA CYS A 107 9.726 11.157 -8.552 1.00 0.00 C ATOM 1680 C CYS A 107 10.659 12.346 -8.772 1.00 0.00 C ATOM 1681 O CYS A 107 10.586 13.351 -8.059 1.00 0.00 O ATOM 1682 CB CYS A 107 8.361 11.660 -8.084 1.00 0.00 C ATOM 1683 SG CYS A 107 7.130 10.353 -7.778 1.00 0.00 S ATOM 0 H CYS A 107 10.153 10.499 -6.606 1.00 0.00 H new ATOM 0 HA CYS A 107 9.601 10.620 -9.492 1.00 0.00 H new ATOM 0 HB2 CYS A 107 8.496 12.235 -7.168 1.00 0.00 H new ATOM 0 HB3 CYS A 107 7.965 12.344 -8.834 1.00 0.00 H new ATOM 1688 N GLN A 108 11.534 12.217 -9.759 1.00 0.00 N ATOM 1689 CA GLN A 108 12.488 13.262 -10.085 1.00 0.00 C ATOM 1690 C GLN A 108 11.959 14.139 -11.219 1.00 0.00 C ATOM 1691 O GLN A 108 12.003 15.380 -11.076 1.00 0.00 O ATOM 1692 CB GLN A 108 13.828 12.633 -10.475 1.00 0.00 C ATOM 1693 CG GLN A 108 14.953 13.640 -10.599 1.00 0.00 C ATOM 1694 CD GLN A 108 16.240 13.029 -11.118 1.00 0.00 C ATOM 1695 OE1 GLN A 108 17.306 13.143 -10.336 1.00 0.00 O flip ATOM 1696 NE2 GLN A 108 16.277 12.465 -12.212 1.00 0.00 N flip ATOM 1697 OXT GLN A 108 11.505 13.578 -12.239 1.00 0.00 O ATOM 0 H GLN A 108 11.601 11.390 -10.352 1.00 0.00 H new ATOM 0 HA GLN A 108 12.633 13.894 -9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 108 14.100 11.885 -9.730 1.00 0.00 H new ATOM 0 HB3 GLN A 108 13.713 12.110 -11.424 1.00 0.00 H new ATOM 0 HG2 GLN A 108 14.643 14.443 -11.268 1.00 0.00 H new ATOM 0 HG3 GLN A 108 15.139 14.091 -9.624 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.433 12.400 -12.781 1.00 0.00 H new ATOM 0 HE22 GLN A 108 17.152 12.063 -12.549 1.00 0.00 H new TER 1706 GLN A 108