USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 613 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 114 TYR OH : rot 180:sc= 0.159 USER MOD Set 1.2: A 134 LYS NZ :NH3+ 175:sc= 0.298 (180deg=-0.281) USER MOD Single : A 75 THR OG1 : rot 17:sc= 1.07 USER MOD Single : A 76 THR OG1 : rot 46:sc= 0.382 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 90:sc= -4.36! USER MOD Single : A 88 LYS NZ :NH3+ 134:sc= -0.805 (180deg=-2.65!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 0.449 (180deg=0.434) USER MOD Single : A 101 HIS :FLIP no HD1:sc= -1.48 F(o=-2.2!,f=-1.5) USER MOD Single : A 102 TYR OH : rot 72:sc= 1.11 USER MOD Single : A 110 LYS NZ :NH3+ -139:sc= -0.111 (180deg=-1.86!) USER MOD Single : A 115 SER OG : rot 130:sc= 0.261 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 155:sc= 0 (180deg=-0.273) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -127:sc= -1.86 (180deg=-5.05!) USER MOD Single : A 143 GLN : amide:sc=-0.00318 K(o=-0.0032,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 72 -7.673 -17.078 13.040 1.00 0.00 N ATOM 2 CA ARG A 72 -6.372 -17.218 12.397 1.00 0.00 C ATOM 3 C ARG A 72 -5.314 -17.660 13.404 1.00 0.00 C ATOM 4 O ARG A 72 -4.898 -16.884 14.264 1.00 0.00 O ATOM 5 CB ARG A 72 -5.954 -15.897 11.750 1.00 0.00 C ATOM 6 CG ARG A 72 -6.956 -15.373 10.734 1.00 0.00 C ATOM 7 CD ARG A 72 -6.446 -14.116 10.046 1.00 0.00 C ATOM 8 NE ARG A 72 -6.504 -12.950 10.924 1.00 0.00 N ATOM 9 CZ ARG A 72 -6.131 -11.731 10.552 1.00 0.00 C ATOM 10 NH1 ARG A 72 -5.677 -11.518 9.324 1.00 0.00 N ATOM 11 NH2 ARG A 72 -6.213 -10.720 11.408 1.00 0.00 N ATOM 0 HA ARG A 72 -6.457 -17.982 11.624 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.815 -15.148 12.530 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.989 -16.031 11.261 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.155 -16.142 9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.902 -15.159 11.231 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.418 -14.273 9.719 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.039 -13.926 9.151 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.850 -13.079 11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.614 -12.292 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.391 -10.581 9.041 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.563 -10.879 12.353 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.926 -9.784 11.121 1.00 0.00 H new ATOM 25 N ARG A 73 -4.883 -18.912 13.290 1.00 0.00 N ATOM 26 CA ARG A 73 -3.875 -19.459 14.190 1.00 0.00 C ATOM 27 C ARG A 73 -2.471 -19.232 13.637 1.00 0.00 C ATOM 28 O ARG A 73 -1.488 -19.719 14.194 1.00 0.00 O ATOM 29 CB ARG A 73 -4.113 -20.954 14.410 1.00 0.00 C ATOM 30 CG ARG A 73 -5.213 -21.255 15.415 1.00 0.00 C ATOM 31 CD ARG A 73 -5.821 -22.629 15.181 1.00 0.00 C ATOM 32 NE ARG A 73 -4.908 -23.703 15.564 1.00 0.00 N ATOM 33 CZ ARG A 73 -5.309 -24.931 15.874 1.00 0.00 C ATOM 34 NH1 ARG A 73 -6.598 -25.238 15.847 1.00 0.00 N ATOM 35 NH2 ARG A 73 -4.418 -25.855 16.212 1.00 0.00 N ATOM 0 H ARG A 73 -5.216 -19.567 12.583 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.958 -18.941 15.145 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.367 -21.417 13.456 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.186 -21.415 14.751 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.808 -21.202 16.426 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.991 -20.495 15.343 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.746 -22.718 15.751 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.084 -22.735 14.129 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.909 -23.499 15.595 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.285 -24.530 15.588 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.903 -26.182 16.086 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.425 -25.622 16.234 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.726 -26.798 16.450 1.00 0.00 H new ATOM 49 N GLU A 74 -2.387 -18.490 12.537 1.00 0.00 N ATOM 50 CA GLU A 74 -1.104 -18.200 11.908 1.00 0.00 C ATOM 51 C GLU A 74 -0.781 -16.711 11.990 1.00 0.00 C ATOM 52 O GLU A 74 -0.115 -16.158 11.114 1.00 0.00 O ATOM 53 CB GLU A 74 -1.113 -18.651 10.447 1.00 0.00 C ATOM 54 CG GLU A 74 -0.655 -20.087 10.250 1.00 0.00 C ATOM 55 CD GLU A 74 -0.417 -20.428 8.791 1.00 0.00 C ATOM 56 OE1 GLU A 74 -1.375 -20.332 7.996 1.00 0.00 O ATOM 57 OE2 GLU A 74 0.727 -20.791 8.447 1.00 0.00 O ATOM 0 H GLU A 74 -3.192 -18.079 12.064 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.333 -18.751 12.446 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.122 -18.542 10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.468 -17.990 9.868 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.264 -20.252 10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.405 -20.763 10.660 1.00 0.00 H new ATOM 64 N THR A 75 -1.260 -16.065 13.049 1.00 0.00 N ATOM 65 CA THR A 75 -1.026 -14.640 13.245 1.00 0.00 C ATOM 66 C THR A 75 0.399 -14.377 13.720 1.00 0.00 C ATOM 67 O THR A 75 0.718 -14.565 14.894 1.00 0.00 O ATOM 68 CB THR A 75 -2.013 -14.043 14.267 1.00 0.00 C ATOM 69 OG1 THR A 75 -1.683 -14.491 15.586 1.00 0.00 O ATOM 70 CG2 THR A 75 -3.443 -14.442 13.933 1.00 0.00 C ATOM 0 H THR A 75 -1.812 -16.507 13.784 1.00 0.00 H new ATOM 0 HA THR A 75 -1.179 -14.159 12.279 1.00 0.00 H new ATOM 0 HB THR A 75 -1.935 -12.957 14.223 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.767 -14.840 15.593 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.122 -14.010 14.667 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.701 -14.075 12.940 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.532 -15.528 13.952 1.00 0.00 H new ATOM 78 N THR A 76 1.254 -13.941 12.800 1.00 0.00 N ATOM 79 CA THR A 76 2.645 -13.653 13.124 1.00 0.00 C ATOM 80 C THR A 76 2.965 -12.178 12.909 1.00 0.00 C ATOM 81 O THR A 76 3.425 -11.782 11.838 1.00 0.00 O ATOM 82 CB THR A 76 3.608 -14.505 12.276 1.00 0.00 C ATOM 83 OG1 THR A 76 3.274 -14.385 10.888 1.00 0.00 O ATOM 84 CG2 THR A 76 3.548 -15.966 12.693 1.00 0.00 C ATOM 0 H THR A 76 1.007 -13.780 11.824 1.00 0.00 H new ATOM 0 HA THR A 76 2.783 -13.902 14.176 1.00 0.00 H new ATOM 0 HB THR A 76 4.622 -14.139 12.439 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.126 -13.442 10.667 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.236 -16.548 12.080 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.830 -16.057 13.742 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.534 -16.342 12.556 1.00 0.00 H new ATOM 92 N ASP A 77 2.721 -11.369 13.934 1.00 0.00 N ATOM 93 CA ASP A 77 2.986 -9.937 13.858 1.00 0.00 C ATOM 94 C ASP A 77 4.463 -9.644 14.106 1.00 0.00 C ATOM 95 O ASP A 77 5.114 -10.318 14.904 1.00 0.00 O ATOM 96 CB ASP A 77 2.126 -9.183 14.874 1.00 0.00 C ATOM 97 CG ASP A 77 0.643 -9.320 14.591 1.00 0.00 C ATOM 98 OD1 ASP A 77 0.192 -8.833 13.533 1.00 0.00 O ATOM 99 OD2 ASP A 77 -0.067 -9.915 15.428 1.00 0.00 O ATOM 0 H ASP A 77 2.340 -11.680 14.827 1.00 0.00 H new ATOM 0 HA ASP A 77 2.730 -9.598 12.854 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.338 -9.558 15.875 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.399 -8.128 14.865 1.00 0.00 H new ATOM 104 N ILE A 78 4.984 -8.635 13.417 1.00 0.00 N ATOM 105 CA ILE A 78 6.383 -8.253 13.562 1.00 0.00 C ATOM 106 C ILE A 78 6.644 -7.633 14.931 1.00 0.00 C ATOM 107 O ILE A 78 7.498 -8.100 15.683 1.00 0.00 O ATOM 108 CB ILE A 78 6.811 -7.256 12.469 1.00 0.00 C ATOM 109 CG1 ILE A 78 6.408 -7.775 11.088 1.00 0.00 C ATOM 110 CG2 ILE A 78 8.312 -7.012 12.533 1.00 0.00 C ATOM 111 CD1 ILE A 78 7.402 -8.748 10.494 1.00 0.00 C ATOM 0 H ILE A 78 4.458 -8.067 12.753 1.00 0.00 H new ATOM 0 HA ILE A 78 6.971 -9.165 13.460 1.00 0.00 H new ATOM 0 HB ILE A 78 6.301 -6.308 12.642 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.435 -8.261 11.161 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.291 -6.929 10.411 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.599 -6.305 11.754 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.573 -6.603 13.509 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.840 -7.953 12.382 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.051 -9.074 9.515 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.371 -8.259 10.388 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.502 -9.613 11.150 1.00 0.00 H new ATOM 123 N GLY A 79 5.900 -6.577 15.248 1.00 0.00 N ATOM 124 CA GLY A 79 6.065 -5.911 16.527 1.00 0.00 C ATOM 125 C GLY A 79 7.463 -5.357 16.716 1.00 0.00 C ATOM 126 O GLY A 79 8.066 -5.524 17.775 1.00 0.00 O ATOM 0 H GLY A 79 5.187 -6.171 14.642 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.342 -5.099 16.606 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.844 -6.614 17.330 1.00 0.00 H new ATOM 130 N GLY A 80 7.981 -4.697 15.685 1.00 0.00 N ATOM 131 CA GLY A 80 9.314 -4.128 15.762 1.00 0.00 C ATOM 132 C GLY A 80 9.824 -3.661 14.413 1.00 0.00 C ATOM 133 O GLY A 80 10.640 -4.334 13.784 1.00 0.00 O ATOM 0 H GLY A 80 7.501 -4.546 14.798 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.307 -3.287 16.455 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.000 -4.871 16.169 1.00 0.00 H new ATOM 137 N GLY A 81 9.341 -2.506 13.966 1.00 0.00 N ATOM 138 CA GLY A 81 9.764 -1.971 12.685 1.00 0.00 C ATOM 139 C GLY A 81 8.728 -2.183 11.598 1.00 0.00 C ATOM 140 O GLY A 81 8.120 -3.250 11.509 1.00 0.00 O ATOM 0 H GLY A 81 8.664 -1.931 14.468 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.965 -0.905 12.788 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.700 -2.444 12.388 1.00 0.00 H new ATOM 144 N LYS A 82 8.526 -1.165 10.770 1.00 0.00 N ATOM 145 CA LYS A 82 7.556 -1.242 9.683 1.00 0.00 C ATOM 146 C LYS A 82 8.174 -1.891 8.448 1.00 0.00 C ATOM 147 O LYS A 82 7.813 -1.563 7.318 1.00 0.00 O ATOM 148 CB LYS A 82 7.037 0.154 9.334 1.00 0.00 C ATOM 149 CG LYS A 82 5.784 0.141 8.476 1.00 0.00 C ATOM 150 CD LYS A 82 4.939 1.383 8.704 1.00 0.00 C ATOM 151 CE LYS A 82 5.404 2.541 7.834 1.00 0.00 C ATOM 152 NZ LYS A 82 4.534 3.739 7.994 1.00 0.00 N ATOM 0 H LYS A 82 9.021 -0.275 10.830 1.00 0.00 H new ATOM 0 HA LYS A 82 6.722 -1.859 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.830 0.696 10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 82 7.820 0.703 8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.063 0.078 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.195 -0.748 8.704 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.895 1.159 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.990 1.672 9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.431 2.800 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.407 2.232 6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.884 4.506 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.559 3.499 7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.551 4.050 8.986 1.00 0.00 H new ATOM 166 N TYR A 83 9.104 -2.812 8.672 1.00 0.00 N ATOM 167 CA TYR A 83 9.772 -3.505 7.577 1.00 0.00 C ATOM 168 C TYR A 83 9.467 -5.000 7.612 1.00 0.00 C ATOM 169 O TYR A 83 9.716 -5.674 8.613 1.00 0.00 O ATOM 170 CB TYR A 83 11.283 -3.280 7.650 1.00 0.00 C ATOM 171 CG TYR A 83 11.671 -1.828 7.821 1.00 0.00 C ATOM 172 CD1 TYR A 83 10.863 -0.810 7.330 1.00 0.00 C ATOM 173 CD2 TYR A 83 12.846 -1.475 8.472 1.00 0.00 C ATOM 174 CE1 TYR A 83 11.213 0.517 7.484 1.00 0.00 C ATOM 175 CE2 TYR A 83 13.204 -0.150 8.632 1.00 0.00 C ATOM 176 CZ TYR A 83 12.385 0.842 8.135 1.00 0.00 C ATOM 177 OH TYR A 83 12.739 2.163 8.291 1.00 0.00 O ATOM 0 H TYR A 83 9.413 -3.096 9.602 1.00 0.00 H new ATOM 0 HA TYR A 83 9.395 -3.097 6.639 1.00 0.00 H new ATOM 0 HB2 TYR A 83 11.688 -3.856 8.482 1.00 0.00 H new ATOM 0 HB3 TYR A 83 11.744 -3.666 6.741 1.00 0.00 H new ATOM 0 HD1 TYR A 83 9.945 -1.061 6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 83 13.491 -2.250 8.860 1.00 0.00 H new ATOM 0 HE1 TYR A 83 10.573 1.296 7.097 1.00 0.00 H new ATOM 0 HE2 TYR A 83 14.120 0.107 9.143 1.00 0.00 H new ATOM 0 HH TYR A 83 13.591 2.219 8.772 1.00 0.00 H new ATOM 187 N THR A 84 8.927 -5.513 6.511 1.00 0.00 N ATOM 188 CA THR A 84 8.588 -6.927 6.414 1.00 0.00 C ATOM 189 C THR A 84 9.083 -7.523 5.101 1.00 0.00 C ATOM 190 O THR A 84 9.441 -8.699 5.037 1.00 0.00 O ATOM 191 CB THR A 84 7.068 -7.148 6.524 1.00 0.00 C ATOM 192 OG1 THR A 84 6.722 -8.440 6.010 1.00 0.00 O ATOM 193 CG2 THR A 84 6.308 -6.074 5.761 1.00 0.00 C ATOM 0 H THR A 84 8.715 -4.970 5.674 1.00 0.00 H new ATOM 0 HA THR A 84 9.082 -7.428 7.246 1.00 0.00 H new ATOM 0 HB THR A 84 6.790 -7.089 7.576 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.758 -9.100 6.733 1.00 0.00 H new ATOM 0 HG21 THR A 84 5.236 -6.251 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.551 -5.094 6.173 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.592 -6.105 4.709 1.00 0.00 H new ATOM 201 N PHE A 85 9.102 -6.703 4.055 1.00 0.00 N ATOM 202 CA PHE A 85 9.554 -7.150 2.743 1.00 0.00 C ATOM 203 C PHE A 85 8.600 -8.190 2.164 1.00 0.00 C ATOM 204 O PHE A 85 9.030 -9.200 1.607 1.00 0.00 O ATOM 205 CB PHE A 85 10.966 -7.733 2.837 1.00 0.00 C ATOM 206 CG PHE A 85 11.620 -7.938 1.500 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.916 -7.715 0.328 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.939 -8.356 1.417 1.00 0.00 C ATOM 209 CE1 PHE A 85 11.515 -7.903 -0.903 1.00 0.00 C ATOM 210 CE2 PHE A 85 13.543 -8.545 0.188 1.00 0.00 C ATOM 211 CZ PHE A 85 12.830 -8.319 -0.973 1.00 0.00 C ATOM 0 H PHE A 85 8.810 -5.726 4.091 1.00 0.00 H new ATOM 0 HA PHE A 85 9.569 -6.286 2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.586 -7.068 3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.922 -8.688 3.361 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.887 -7.390 0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 85 13.501 -8.536 2.322 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.955 -7.725 -1.809 1.00 0.00 H new ATOM 0 HE2 PHE A 85 14.572 -8.869 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 85 13.300 -8.467 -1.934 1.00 0.00 H new ATOM 221 N GLU A 86 7.302 -7.934 2.300 1.00 0.00 N ATOM 222 CA GLU A 86 6.287 -8.849 1.791 1.00 0.00 C ATOM 223 C GLU A 86 5.327 -8.128 0.850 1.00 0.00 C ATOM 224 O GLU A 86 4.773 -8.730 -0.071 1.00 0.00 O ATOM 225 CB GLU A 86 5.508 -9.477 2.949 1.00 0.00 C ATOM 226 CG GLU A 86 4.894 -8.457 3.893 1.00 0.00 C ATOM 227 CD GLU A 86 4.352 -9.087 5.161 1.00 0.00 C ATOM 228 OE1 GLU A 86 4.937 -10.089 5.623 1.00 0.00 O ATOM 229 OE2 GLU A 86 3.343 -8.578 5.692 1.00 0.00 O ATOM 0 H GLU A 86 6.929 -7.102 2.758 1.00 0.00 H new ATOM 0 HA GLU A 86 6.792 -9.637 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.716 -10.107 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.175 -10.127 3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.645 -7.712 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.089 -7.932 3.380 1.00 0.00 H new ATOM 236 N LEU A 87 5.134 -6.835 1.088 1.00 0.00 N ATOM 237 CA LEU A 87 4.241 -6.030 0.262 1.00 0.00 C ATOM 238 C LEU A 87 4.220 -6.540 -1.175 1.00 0.00 C ATOM 239 O LEU A 87 3.159 -6.661 -1.788 1.00 0.00 O ATOM 240 CB LEU A 87 4.674 -4.563 0.288 1.00 0.00 C ATOM 241 CG LEU A 87 5.347 -4.085 1.575 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.599 -4.603 2.793 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.803 -4.528 1.612 1.00 0.00 C ATOM 0 H LEU A 87 5.584 -6.322 1.846 1.00 0.00 H new ATOM 0 HA LEU A 87 3.234 -6.113 0.672 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.360 -4.393 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.796 -3.942 0.109 1.00 0.00 H new ATOM 0 HG LEU A 87 5.319 -2.996 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.093 -4.253 3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.573 -4.235 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.594 -5.693 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.266 -4.179 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.853 -5.616 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.333 -4.107 0.758 1.00 0.00 H new ATOM 255 N LYS A 88 5.399 -6.841 -1.708 1.00 0.00 N ATOM 256 CA LYS A 88 5.518 -7.342 -3.072 1.00 0.00 C ATOM 257 C LYS A 88 4.452 -8.394 -3.360 1.00 0.00 C ATOM 258 O LYS A 88 4.492 -9.498 -2.817 1.00 0.00 O ATOM 259 CB LYS A 88 6.910 -7.936 -3.300 1.00 0.00 C ATOM 260 CG LYS A 88 7.394 -7.817 -4.735 1.00 0.00 C ATOM 261 CD LYS A 88 6.793 -8.898 -5.617 1.00 0.00 C ATOM 262 CE LYS A 88 7.540 -10.215 -5.472 1.00 0.00 C ATOM 263 NZ LYS A 88 7.032 -11.018 -4.325 1.00 0.00 N ATOM 0 H LYS A 88 6.287 -6.747 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 88 5.371 -6.504 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.621 -7.436 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.898 -8.988 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.129 -6.836 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.481 -7.888 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.745 -9.042 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.820 -8.576 -6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.441 -10.792 -6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.603 -10.016 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.900 -12.005 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.719 -10.982 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.123 -10.629 -4.004 1.00 0.00 H new ATOM 277 N GLY A 89 3.499 -8.046 -4.219 1.00 0.00 N ATOM 278 CA GLY A 89 2.437 -8.972 -4.565 1.00 0.00 C ATOM 279 C GLY A 89 1.159 -8.702 -3.796 1.00 0.00 C ATOM 280 O GLY A 89 0.060 -8.858 -4.328 1.00 0.00 O ATOM 0 H GLY A 89 3.444 -7.139 -4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.235 -8.905 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.769 -9.991 -4.366 1.00 0.00 H new ATOM 284 N LYS A 90 1.301 -8.296 -2.539 1.00 0.00 N ATOM 285 CA LYS A 90 0.150 -8.004 -1.693 1.00 0.00 C ATOM 286 C LYS A 90 -0.628 -6.806 -2.229 1.00 0.00 C ATOM 287 O LYS A 90 -0.095 -5.995 -2.986 1.00 0.00 O ATOM 288 CB LYS A 90 0.602 -7.731 -0.257 1.00 0.00 C ATOM 289 CG LYS A 90 0.662 -8.978 0.609 1.00 0.00 C ATOM 290 CD LYS A 90 1.765 -9.919 0.156 1.00 0.00 C ATOM 291 CE LYS A 90 2.232 -10.818 1.291 1.00 0.00 C ATOM 292 NZ LYS A 90 3.163 -11.877 0.813 1.00 0.00 N ATOM 0 H LYS A 90 2.203 -8.162 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.506 -8.875 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.587 -7.265 -0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.080 -7.014 0.200 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.830 -8.693 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.297 -9.495 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.405 -10.532 -0.670 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.608 -9.339 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.728 -10.215 2.051 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.368 -11.282 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.458 -12.468 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.682 -12.469 0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.000 -11.435 0.383 1.00 0.00 H new ATOM 306 N VAL A 91 -1.892 -6.700 -1.829 1.00 0.00 N ATOM 307 CA VAL A 91 -2.742 -5.600 -2.267 1.00 0.00 C ATOM 308 C VAL A 91 -2.932 -4.576 -1.154 1.00 0.00 C ATOM 309 O VAL A 91 -3.202 -4.933 -0.007 1.00 0.00 O ATOM 310 CB VAL A 91 -4.123 -6.106 -2.725 1.00 0.00 C ATOM 311 CG1 VAL A 91 -5.014 -4.940 -3.123 1.00 0.00 C ATOM 312 CG2 VAL A 91 -3.974 -7.090 -3.876 1.00 0.00 C ATOM 0 H VAL A 91 -2.349 -7.363 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.238 -5.127 -3.110 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.595 -6.625 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.985 -5.317 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.147 -4.275 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.550 -4.390 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.959 -7.438 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.481 -6.597 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.375 -7.941 -3.552 1.00 0.00 H new ATOM 322 N GLY A 92 -2.791 -3.300 -1.500 1.00 0.00 N ATOM 323 CA GLY A 92 -2.951 -2.243 -0.519 1.00 0.00 C ATOM 324 C GLY A 92 -4.018 -1.242 -0.914 1.00 0.00 C ATOM 325 O GLY A 92 -4.390 -1.148 -2.084 1.00 0.00 O ATOM 0 H GLY A 92 -2.569 -2.980 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.208 -2.682 0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.001 -1.725 -0.390 1.00 0.00 H new ATOM 329 N LYS A 93 -4.515 -0.492 0.064 1.00 0.00 N ATOM 330 CA LYS A 93 -5.547 0.507 -0.186 1.00 0.00 C ATOM 331 C LYS A 93 -4.983 1.918 -0.049 1.00 0.00 C ATOM 332 O LYS A 93 -4.395 2.265 0.975 1.00 0.00 O ATOM 333 CB LYS A 93 -6.715 0.317 0.784 1.00 0.00 C ATOM 334 CG LYS A 93 -7.947 1.128 0.419 1.00 0.00 C ATOM 335 CD LYS A 93 -8.740 1.523 1.654 1.00 0.00 C ATOM 336 CE LYS A 93 -9.414 0.319 2.292 1.00 0.00 C ATOM 337 NZ LYS A 93 -10.732 0.023 1.665 1.00 0.00 N ATOM 0 H LYS A 93 -4.219 -0.557 1.038 1.00 0.00 H new ATOM 0 HA LYS A 93 -5.905 0.375 -1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.982 -0.739 0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.392 0.594 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.646 2.024 -0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.581 0.547 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -8.076 1.996 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -9.494 2.262 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.765 -0.552 2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -9.552 0.503 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.159 -0.805 2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.361 0.844 1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -10.598 -0.177 0.653 1.00 0.00 H new ATOM 351 N VAL A 94 -5.168 2.728 -1.087 1.00 0.00 N ATOM 352 CA VAL A 94 -4.680 4.102 -1.081 1.00 0.00 C ATOM 353 C VAL A 94 -5.420 4.943 -0.048 1.00 0.00 C ATOM 354 O VAL A 94 -6.641 5.087 -0.107 1.00 0.00 O ATOM 355 CB VAL A 94 -4.834 4.758 -2.466 1.00 0.00 C ATOM 356 CG1 VAL A 94 -3.740 4.279 -3.408 1.00 0.00 C ATOM 357 CG2 VAL A 94 -6.211 4.467 -3.043 1.00 0.00 C ATOM 0 H VAL A 94 -5.652 2.456 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.622 4.061 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.734 5.837 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.865 4.753 -4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.765 4.544 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.805 3.197 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.302 4.938 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -6.342 3.390 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.976 4.864 -2.376 1.00 0.00 H new ATOM 367 N VAL A 95 -4.672 5.498 0.901 1.00 0.00 N ATOM 368 CA VAL A 95 -5.256 6.328 1.948 1.00 0.00 C ATOM 369 C VAL A 95 -5.107 7.810 1.623 1.00 0.00 C ATOM 370 O VAL A 95 -5.831 8.650 2.156 1.00 0.00 O ATOM 371 CB VAL A 95 -4.607 6.045 3.316 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.901 4.621 3.762 1.00 0.00 C ATOM 373 CG2 VAL A 95 -3.108 6.295 3.255 1.00 0.00 C ATOM 0 H VAL A 95 -3.660 5.388 0.966 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.315 6.076 1.998 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.036 6.726 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.435 4.439 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.979 4.481 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.501 3.920 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.665 6.090 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.660 5.640 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.923 7.334 2.984 1.00 0.00 H new ATOM 383 N LYS A 96 -4.162 8.124 0.743 1.00 0.00 N ATOM 384 CA LYS A 96 -3.916 9.505 0.344 1.00 0.00 C ATOM 385 C LYS A 96 -2.885 9.572 -0.778 1.00 0.00 C ATOM 386 O LYS A 96 -1.977 8.743 -0.849 1.00 0.00 O ATOM 387 CB LYS A 96 -3.436 10.326 1.543 1.00 0.00 C ATOM 388 CG LYS A 96 -3.782 11.802 1.447 1.00 0.00 C ATOM 389 CD LYS A 96 -2.670 12.594 0.782 1.00 0.00 C ATOM 390 CE LYS A 96 -3.018 14.071 0.686 1.00 0.00 C ATOM 391 NZ LYS A 96 -1.884 14.875 0.152 1.00 0.00 N ATOM 0 H LYS A 96 -3.554 7.440 0.292 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.853 9.923 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.876 9.917 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.355 10.220 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.705 11.924 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.966 12.199 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.747 12.473 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.486 12.197 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.888 14.198 0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -3.295 14.444 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.188 15.861 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.090 14.843 0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.581 14.483 -0.762 1.00 0.00 H new ATOM 405 N ILE A 97 -3.030 10.563 -1.650 1.00 0.00 N ATOM 406 CA ILE A 97 -2.109 10.739 -2.766 1.00 0.00 C ATOM 407 C ILE A 97 -1.367 12.067 -2.663 1.00 0.00 C ATOM 408 O ILE A 97 -1.909 13.055 -2.170 1.00 0.00 O ATOM 409 CB ILE A 97 -2.845 10.678 -4.118 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.404 9.274 -4.357 1.00 0.00 C ATOM 411 CG2 ILE A 97 -1.910 11.082 -5.249 1.00 0.00 C ATOM 412 CD1 ILE A 97 -4.696 9.004 -3.619 1.00 0.00 C ATOM 0 H ILE A 97 -3.776 11.257 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.391 9.920 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.678 11.380 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.569 9.135 -5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.660 8.539 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.445 11.034 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.556 12.100 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.058 10.402 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.034 7.990 -3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.532 9.111 -2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.455 9.716 -3.942 1.00 0.00 H new ATOM 424 N ALA A 98 -0.124 12.082 -3.133 1.00 0.00 N ATOM 425 CA ALA A 98 0.692 13.289 -3.098 1.00 0.00 C ATOM 426 C ALA A 98 1.735 13.280 -4.210 1.00 0.00 C ATOM 427 O ALA A 98 2.448 12.295 -4.396 1.00 0.00 O ATOM 428 CB ALA A 98 1.366 13.431 -1.741 1.00 0.00 C ATOM 0 H ALA A 98 0.340 11.271 -3.543 1.00 0.00 H new ATOM 0 HA ALA A 98 0.037 14.145 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.972 14.337 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.606 13.493 -0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.003 12.566 -1.559 1.00 0.00 H new ATOM 434 N GLU A 99 1.817 14.384 -4.947 1.00 0.00 N ATOM 435 CA GLU A 99 2.772 14.500 -6.042 1.00 0.00 C ATOM 436 C GLU A 99 4.133 13.941 -5.639 1.00 0.00 C ATOM 437 O GLU A 99 4.698 13.093 -6.331 1.00 0.00 O ATOM 438 CB GLU A 99 2.916 15.963 -6.469 1.00 0.00 C ATOM 439 CG GLU A 99 3.284 16.136 -7.933 1.00 0.00 C ATOM 440 CD GLU A 99 4.776 16.017 -8.178 1.00 0.00 C ATOM 441 OE1 GLU A 99 5.535 16.848 -7.637 1.00 0.00 O ATOM 442 OE2 GLU A 99 5.184 15.092 -8.911 1.00 0.00 O ATOM 0 H GLU A 99 1.234 15.209 -4.805 1.00 0.00 H new ATOM 0 HA GLU A 99 2.394 13.918 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.978 16.483 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.678 16.439 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.761 15.386 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 99 2.940 17.111 -8.277 1.00 0.00 H new ATOM 449 N ASP A 100 4.654 14.421 -4.516 1.00 0.00 N ATOM 450 CA ASP A 100 5.949 13.969 -4.019 1.00 0.00 C ATOM 451 C ASP A 100 5.959 12.455 -3.827 1.00 0.00 C ATOM 452 O ASP A 100 6.960 11.791 -4.098 1.00 0.00 O ATOM 453 CB ASP A 100 6.284 14.665 -2.698 1.00 0.00 C ATOM 454 CG ASP A 100 7.716 14.424 -2.264 1.00 0.00 C ATOM 455 OD1 ASP A 100 8.186 13.273 -2.382 1.00 0.00 O ATOM 456 OD2 ASP A 100 8.367 15.386 -1.805 1.00 0.00 O ATOM 0 H ASP A 100 4.200 15.123 -3.932 1.00 0.00 H new ATOM 0 HA ASP A 100 6.705 14.229 -4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.114 15.737 -2.802 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.607 14.309 -1.921 1.00 0.00 H new ATOM 461 N HIS A 101 4.838 11.916 -3.357 1.00 0.00 N ATOM 462 CA HIS A 101 4.718 10.480 -3.129 1.00 0.00 C ATOM 463 C HIS A 101 3.289 10.109 -2.744 1.00 0.00 C ATOM 464 O HIS A 101 2.516 10.957 -2.297 1.00 0.00 O ATOM 465 CB HIS A 101 5.686 10.034 -2.033 1.00 0.00 C ATOM 466 CG HIS A 101 5.359 10.591 -0.682 1.00 0.00 C ATOM 467 ND1 HIS A 101 4.687 10.048 0.360 1.00 0.00 N flip ATOM 468 CD2 HIS A 101 5.733 11.855 -0.279 1.00 0.00 C flip ATOM 469 CE1 HIS A 101 4.669 10.984 1.365 1.00 0.00 C flip ATOM 470 NE2 HIS A 101 5.307 12.065 0.954 1.00 0.00 N flip ATOM 0 H HIS A 101 4.001 12.451 -3.127 1.00 0.00 H new ATOM 0 HA HIS A 101 4.970 9.967 -4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.683 8.945 -1.978 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.697 10.337 -2.307 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.287 12.563 -0.877 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.208 10.857 2.333 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.447 12.917 1.496 1.00 0.00 H new ATOM 479 N TYR A 102 2.945 8.839 -2.922 1.00 0.00 N ATOM 480 CA TYR A 102 1.608 8.356 -2.596 1.00 0.00 C ATOM 481 C TYR A 102 1.610 7.599 -1.272 1.00 0.00 C ATOM 482 O TYR A 102 2.602 6.970 -0.903 1.00 0.00 O ATOM 483 CB TYR A 102 1.084 7.451 -3.713 1.00 0.00 C ATOM 484 CG TYR A 102 1.045 8.122 -5.067 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.204 8.610 -5.657 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.152 8.266 -5.758 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.173 9.224 -6.894 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.193 8.877 -6.997 1.00 0.00 C ATOM 489 CZ TYR A 102 0.972 9.355 -7.560 1.00 0.00 C ATOM 490 OH TYR A 102 0.937 9.964 -8.793 1.00 0.00 O ATOM 0 H TYR A 102 3.573 8.125 -3.290 1.00 0.00 H new ATOM 0 HA TYR A 102 0.951 9.220 -2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.713 6.563 -3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.080 7.113 -3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.146 8.508 -5.139 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.066 7.894 -5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.084 9.599 -7.337 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.132 8.980 -7.521 1.00 0.00 H new ATOM 0 HH TYR A 102 1.347 9.375 -9.460 1.00 0.00 H new ATOM 500 N LEU A 103 0.490 7.665 -0.560 1.00 0.00 N ATOM 501 CA LEU A 103 0.360 6.986 0.725 1.00 0.00 C ATOM 502 C LEU A 103 -0.533 5.755 0.602 1.00 0.00 C ATOM 503 O LEU A 103 -1.754 5.869 0.495 1.00 0.00 O ATOM 504 CB LEU A 103 -0.212 7.941 1.774 1.00 0.00 C ATOM 505 CG LEU A 103 0.810 8.763 2.560 1.00 0.00 C ATOM 506 CD1 LEU A 103 1.841 7.853 3.210 1.00 0.00 C ATOM 507 CD2 LEU A 103 1.489 9.779 1.654 1.00 0.00 C ATOM 0 H LEU A 103 -0.340 8.181 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 103 1.353 6.663 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.896 8.628 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.803 7.360 2.482 1.00 0.00 H new ATOM 0 HG LEU A 103 0.284 9.303 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.560 8.456 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.341 7.165 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.362 7.285 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.213 10.355 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.001 9.259 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.740 10.452 1.237 1.00 0.00 H new ATOM 519 N VAL A 104 0.084 4.578 0.620 1.00 0.00 N ATOM 520 CA VAL A 104 -0.654 3.325 0.513 1.00 0.00 C ATOM 521 C VAL A 104 -0.575 2.529 1.811 1.00 0.00 C ATOM 522 O VAL A 104 0.508 2.317 2.355 1.00 0.00 O ATOM 523 CB VAL A 104 -0.123 2.457 -0.642 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.238 1.602 -1.224 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.507 3.329 -1.717 1.00 0.00 C ATOM 0 H VAL A 104 1.094 4.466 0.708 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.693 3.586 0.312 1.00 0.00 H new ATOM 0 HB VAL A 104 0.646 1.791 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.844 0.995 -2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.640 0.950 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.031 2.247 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.877 2.699 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.239 4.021 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.335 3.893 -1.289 1.00 0.00 H new ATOM 535 N GLU A 105 -1.730 2.090 2.301 1.00 0.00 N ATOM 536 CA GLU A 105 -1.791 1.317 3.536 1.00 0.00 C ATOM 537 C GLU A 105 -1.782 -0.180 3.241 1.00 0.00 C ATOM 538 O GLU A 105 -2.787 -0.746 2.811 1.00 0.00 O ATOM 539 CB GLU A 105 -3.045 1.684 4.332 1.00 0.00 C ATOM 540 CG GLU A 105 -3.193 0.903 5.627 1.00 0.00 C ATOM 541 CD GLU A 105 -4.551 1.098 6.274 1.00 0.00 C ATOM 542 OE1 GLU A 105 -5.486 1.532 5.569 1.00 0.00 O ATOM 543 OE2 GLU A 105 -4.679 0.816 7.484 1.00 0.00 O ATOM 0 H GLU A 105 -2.636 2.256 1.862 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.909 1.558 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -3.021 2.749 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.924 1.511 3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.039 -0.157 5.427 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.415 1.212 6.324 1.00 0.00 H new ATOM 550 N VAL A 106 -0.639 -0.817 3.476 1.00 0.00 N ATOM 551 CA VAL A 106 -0.497 -2.248 3.237 1.00 0.00 C ATOM 552 C VAL A 106 -0.472 -3.025 4.548 1.00 0.00 C ATOM 553 O VAL A 106 0.272 -2.685 5.467 1.00 0.00 O ATOM 554 CB VAL A 106 0.785 -2.560 2.443 1.00 0.00 C ATOM 555 CG1 VAL A 106 0.813 -4.024 2.028 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.893 -1.652 1.228 1.00 0.00 C ATOM 0 H VAL A 106 0.203 -0.364 3.832 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.362 -2.558 2.651 1.00 0.00 H new ATOM 0 HB VAL A 106 1.645 -2.372 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.726 -4.226 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.785 -4.655 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.052 -4.241 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.805 -1.886 0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.030 -1.806 0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.922 -0.612 1.553 1.00 0.00 H new ATOM 566 N GLU A 107 -1.290 -4.070 4.627 1.00 0.00 N ATOM 567 CA GLU A 107 -1.361 -4.895 5.827 1.00 0.00 C ATOM 568 C GLU A 107 -1.477 -4.027 7.078 1.00 0.00 C ATOM 569 O GLU A 107 -0.921 -4.352 8.126 1.00 0.00 O ATOM 570 CB GLU A 107 -0.126 -5.792 5.930 1.00 0.00 C ATOM 571 CG GLU A 107 -0.063 -6.865 4.856 1.00 0.00 C ATOM 572 CD GLU A 107 -1.011 -8.017 5.126 1.00 0.00 C ATOM 573 OE1 GLU A 107 -2.204 -7.754 5.386 1.00 0.00 O ATOM 574 OE2 GLU A 107 -0.562 -9.181 5.077 1.00 0.00 O ATOM 0 H GLU A 107 -1.912 -4.365 3.875 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.251 -5.520 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.769 -5.173 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.114 -6.269 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.303 -6.421 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.956 -7.246 4.788 1.00 0.00 H new ATOM 581 N GLY A 108 -2.206 -2.921 6.958 1.00 0.00 N ATOM 582 CA GLY A 108 -2.382 -2.024 8.084 1.00 0.00 C ATOM 583 C GLY A 108 -1.143 -1.199 8.369 1.00 0.00 C ATOM 584 O GLY A 108 -0.882 -0.832 9.515 1.00 0.00 O ATOM 0 H GLY A 108 -2.677 -2.631 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.221 -1.357 7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.640 -2.605 8.970 1.00 0.00 H new ATOM 588 N ASP A 109 -0.375 -0.909 7.324 1.00 0.00 N ATOM 589 CA ASP A 109 0.845 -0.123 7.467 1.00 0.00 C ATOM 590 C ASP A 109 1.072 0.756 6.241 1.00 0.00 C ATOM 591 O ASP A 109 1.237 0.257 5.128 1.00 0.00 O ATOM 592 CB ASP A 109 2.048 -1.043 7.680 1.00 0.00 C ATOM 593 CG ASP A 109 2.292 -1.348 9.145 1.00 0.00 C ATOM 594 OD1 ASP A 109 2.078 -0.446 9.983 1.00 0.00 O ATOM 595 OD2 ASP A 109 2.695 -2.488 9.454 1.00 0.00 O ATOM 0 H ASP A 109 -0.576 -1.206 6.369 1.00 0.00 H new ATOM 0 HA ASP A 109 0.732 0.522 8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.888 -1.976 7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 109 2.937 -0.577 7.256 1.00 0.00 H new ATOM 600 N LYS A 110 1.078 2.068 6.452 1.00 0.00 N ATOM 601 CA LYS A 110 1.284 3.018 5.365 1.00 0.00 C ATOM 602 C LYS A 110 2.623 2.774 4.677 1.00 0.00 C ATOM 603 O LYS A 110 3.583 2.328 5.306 1.00 0.00 O ATOM 604 CB LYS A 110 1.224 4.452 5.896 1.00 0.00 C ATOM 605 CG LYS A 110 -0.187 4.937 6.180 1.00 0.00 C ATOM 606 CD LYS A 110 -0.189 6.349 6.742 1.00 0.00 C ATOM 607 CE LYS A 110 -1.479 6.650 7.488 1.00 0.00 C ATOM 608 NZ LYS A 110 -2.522 7.216 6.588 1.00 0.00 N ATOM 0 H LYS A 110 0.942 2.498 7.367 1.00 0.00 H new ATOM 0 HA LYS A 110 0.489 2.875 4.634 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.812 4.516 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.689 5.119 5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.774 4.909 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.669 4.262 6.887 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.659 6.475 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.061 7.065 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.854 5.736 7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.276 7.353 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.021 7.986 7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.073 7.586 5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.201 6.471 6.332 1.00 0.00 H new ATOM 622 N TRP A 111 2.681 3.072 3.384 1.00 0.00 N ATOM 623 CA TRP A 111 3.904 2.887 2.612 1.00 0.00 C ATOM 624 C TRP A 111 4.153 4.077 1.692 1.00 0.00 C ATOM 625 O TRP A 111 3.353 5.013 1.643 1.00 0.00 O ATOM 626 CB TRP A 111 3.822 1.600 1.789 1.00 0.00 C ATOM 627 CG TRP A 111 4.041 0.360 2.603 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.081 -0.420 3.181 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.299 -0.240 2.929 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.667 -1.470 3.848 1.00 0.00 N ATOM 631 CE2 TRP A 111 5.027 -1.382 3.708 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.629 0.076 2.639 1.00 0.00 C ATOM 633 CZ2 TRP A 111 6.036 -2.206 4.198 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.630 -0.743 3.126 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.329 -1.874 3.898 1.00 0.00 C ATOM 0 H TRP A 111 1.896 3.443 2.849 1.00 0.00 H new ATOM 0 HA TRP A 111 4.737 2.811 3.311 1.00 0.00 H new ATOM 0 HB2 TRP A 111 2.844 1.544 1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.565 1.639 0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.018 -0.239 3.123 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.170 -2.196 4.363 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.870 0.945 2.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 5.806 -3.077 4.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.661 -0.508 2.908 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.133 -2.495 4.263 1.00 0.00 H new ATOM 646 N ILE A 112 5.265 4.036 0.966 1.00 0.00 N ATOM 647 CA ILE A 112 5.617 5.112 0.047 1.00 0.00 C ATOM 648 C ILE A 112 5.774 4.590 -1.377 1.00 0.00 C ATOM 649 O ILE A 112 6.814 4.037 -1.735 1.00 0.00 O ATOM 650 CB ILE A 112 6.921 5.812 0.473 1.00 0.00 C ATOM 651 CG1 ILE A 112 6.783 6.380 1.887 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.277 6.914 -0.514 1.00 0.00 C ATOM 653 CD1 ILE A 112 5.676 7.402 2.022 1.00 0.00 C ATOM 0 H ILE A 112 5.938 3.270 0.996 1.00 0.00 H new ATOM 0 HA ILE A 112 4.800 5.833 0.078 1.00 0.00 H new ATOM 0 HB ILE A 112 7.726 5.078 0.474 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.597 5.561 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.728 6.839 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.201 7.400 -0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.413 6.484 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.473 7.649 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.636 7.762 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.870 8.240 1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 112 4.723 6.942 1.761 1.00 0.00 H new ATOM 665 N ALA A 113 4.735 4.770 -2.186 1.00 0.00 N ATOM 666 CA ALA A 113 4.760 4.320 -3.572 1.00 0.00 C ATOM 667 C ALA A 113 4.450 5.468 -4.527 1.00 0.00 C ATOM 668 O ALA A 113 3.888 6.487 -4.126 1.00 0.00 O ATOM 669 CB ALA A 113 3.772 3.181 -3.775 1.00 0.00 C ATOM 0 H ALA A 113 3.866 5.224 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 113 5.764 3.959 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.801 2.855 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 113 4.039 2.347 -3.126 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.767 3.524 -3.530 1.00 0.00 H new ATOM 675 N TYR A 114 4.821 5.296 -5.791 1.00 0.00 N ATOM 676 CA TYR A 114 4.585 6.319 -6.803 1.00 0.00 C ATOM 677 C TYR A 114 3.990 5.708 -8.067 1.00 0.00 C ATOM 678 O TYR A 114 4.581 4.818 -8.678 1.00 0.00 O ATOM 679 CB TYR A 114 5.890 7.044 -7.138 1.00 0.00 C ATOM 680 CG TYR A 114 7.016 6.114 -7.528 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.619 5.288 -6.587 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.478 6.061 -8.838 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.649 4.437 -6.939 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.507 5.212 -9.198 1.00 0.00 C ATOM 685 CZ TYR A 114 9.089 4.403 -8.245 1.00 0.00 C ATOM 686 OH TYR A 114 10.114 3.557 -8.601 1.00 0.00 O ATOM 0 H TYR A 114 5.286 4.458 -6.139 1.00 0.00 H new ATOM 0 HA TYR A 114 3.871 7.037 -6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 114 5.708 7.743 -7.954 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.200 7.634 -6.276 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.277 5.312 -5.563 1.00 0.00 H new ATOM 0 HD2 TYR A 114 7.025 6.694 -9.587 1.00 0.00 H new ATOM 0 HE1 TYR A 114 9.107 3.802 -6.195 1.00 0.00 H new ATOM 0 HE2 TYR A 114 8.854 5.182 -10.220 1.00 0.00 H new ATOM 0 HH TYR A 114 10.302 3.655 -9.558 1.00 0.00 H new ATOM 696 N SER A 115 2.815 6.194 -8.455 1.00 0.00 N ATOM 697 CA SER A 115 2.136 5.695 -9.645 1.00 0.00 C ATOM 698 C SER A 115 1.694 6.847 -10.542 1.00 0.00 C ATOM 699 O SER A 115 1.265 7.895 -10.058 1.00 0.00 O ATOM 700 CB SER A 115 0.926 4.847 -9.250 1.00 0.00 C ATOM 701 OG SER A 115 0.406 4.148 -10.368 1.00 0.00 O ATOM 0 H SER A 115 2.314 6.933 -7.962 1.00 0.00 H new ATOM 0 HA SER A 115 2.839 5.075 -10.201 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.213 4.137 -8.475 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.153 5.487 -8.825 1.00 0.00 H new ATOM 0 HG SER A 115 0.295 3.202 -10.139 1.00 0.00 H new ATOM 707 N ASP A 116 1.800 6.645 -11.850 1.00 0.00 N ATOM 708 CA ASP A 116 1.410 7.665 -12.816 1.00 0.00 C ATOM 709 C ASP A 116 -0.097 7.642 -13.052 1.00 0.00 C ATOM 710 O ASP A 116 -0.671 8.611 -13.549 1.00 0.00 O ATOM 711 CB ASP A 116 2.149 7.455 -14.139 1.00 0.00 C ATOM 712 CG ASP A 116 3.543 6.894 -13.940 1.00 0.00 C ATOM 713 OD1 ASP A 116 4.347 7.538 -13.235 1.00 0.00 O ATOM 714 OD2 ASP A 116 3.831 5.810 -14.491 1.00 0.00 O ATOM 0 H ASP A 116 2.153 5.783 -12.266 1.00 0.00 H new ATOM 0 HA ASP A 116 1.681 8.639 -12.408 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.574 6.777 -14.769 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.215 8.405 -14.670 1.00 0.00 H new ATOM 719 N GLU A 117 -0.730 6.530 -12.693 1.00 0.00 N ATOM 720 CA GLU A 117 -2.170 6.381 -12.868 1.00 0.00 C ATOM 721 C GLU A 117 -2.932 7.172 -11.808 1.00 0.00 C ATOM 722 O GLU A 117 -2.792 6.921 -10.610 1.00 0.00 O ATOM 723 CB GLU A 117 -2.565 4.904 -12.800 1.00 0.00 C ATOM 724 CG GLU A 117 -2.361 4.159 -14.108 1.00 0.00 C ATOM 725 CD GLU A 117 -1.008 3.478 -14.186 1.00 0.00 C ATOM 726 OE1 GLU A 117 -0.767 2.543 -13.395 1.00 0.00 O ATOM 727 OE2 GLU A 117 -0.190 3.880 -15.041 1.00 0.00 O ATOM 0 H GLU A 117 -0.269 5.720 -12.279 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.433 6.775 -13.850 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.982 4.416 -12.019 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -3.613 4.830 -12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -3.147 3.412 -14.223 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.461 4.857 -14.939 1.00 0.00 H new ATOM 734 N LYS A 118 -3.737 8.128 -12.257 1.00 0.00 N ATOM 735 CA LYS A 118 -4.522 8.957 -11.349 1.00 0.00 C ATOM 736 C LYS A 118 -5.277 8.095 -10.342 1.00 0.00 C ATOM 737 O LYS A 118 -6.324 7.528 -10.657 1.00 0.00 O ATOM 738 CB LYS A 118 -5.508 9.821 -12.138 1.00 0.00 C ATOM 739 CG LYS A 118 -4.838 10.881 -12.994 1.00 0.00 C ATOM 740 CD LYS A 118 -5.860 11.773 -13.679 1.00 0.00 C ATOM 741 CE LYS A 118 -5.242 12.539 -14.839 1.00 0.00 C ATOM 742 NZ LYS A 118 -5.135 11.698 -16.064 1.00 0.00 N ATOM 0 H LYS A 118 -3.864 8.349 -13.245 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.836 9.606 -10.804 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -6.111 9.177 -12.778 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -6.191 10.307 -11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -4.181 11.490 -12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.211 10.401 -13.745 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -6.689 11.166 -14.043 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -6.273 12.476 -12.956 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -5.846 13.420 -15.055 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.251 12.893 -14.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.709 12.256 -16.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.538 10.870 -15.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -6.083 11.381 -16.351 1.00 0.00 H new ATOM 756 N LEU A 119 -4.741 8.003 -9.130 1.00 0.00 N ATOM 757 CA LEU A 119 -5.366 7.212 -8.075 1.00 0.00 C ATOM 758 C LEU A 119 -6.396 8.039 -7.311 1.00 0.00 C ATOM 759 O LEU A 119 -6.416 9.266 -7.408 1.00 0.00 O ATOM 760 CB LEU A 119 -4.304 6.682 -7.111 1.00 0.00 C ATOM 761 CG LEU A 119 -3.108 5.977 -7.752 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.093 5.577 -6.692 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.566 4.758 -8.540 1.00 0.00 C ATOM 0 H LEU A 119 -3.875 8.466 -8.853 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.877 6.370 -8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -3.932 7.517 -6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.783 5.987 -6.421 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.629 6.672 -8.442 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.249 5.077 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.741 6.467 -6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -2.561 4.900 -5.977 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.701 4.269 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.070 4.061 -7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.255 5.070 -9.325 1.00 0.00 H new ATOM 775 N SER A 120 -7.247 7.359 -6.550 1.00 0.00 N ATOM 776 CA SER A 120 -8.280 8.030 -5.770 1.00 0.00 C ATOM 777 C SER A 120 -8.427 7.386 -4.395 1.00 0.00 C ATOM 778 O SER A 120 -8.493 6.162 -4.273 1.00 0.00 O ATOM 779 CB SER A 120 -9.617 7.987 -6.512 1.00 0.00 C ATOM 780 OG SER A 120 -9.426 8.080 -7.913 1.00 0.00 O ATOM 0 H SER A 120 -7.242 6.343 -6.457 1.00 0.00 H new ATOM 0 HA SER A 120 -7.981 9.069 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.139 7.060 -6.274 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.251 8.806 -6.173 1.00 0.00 H new ATOM 0 HG SER A 120 -10.295 8.049 -8.364 1.00 0.00 H new ATOM 786 N LEU A 121 -8.478 8.219 -3.361 1.00 0.00 N ATOM 787 CA LEU A 121 -8.618 7.733 -1.993 1.00 0.00 C ATOM 788 C LEU A 121 -9.649 6.611 -1.917 1.00 0.00 C ATOM 789 O LEU A 121 -10.842 6.836 -2.117 1.00 0.00 O ATOM 790 CB LEU A 121 -9.022 8.877 -1.063 1.00 0.00 C ATOM 791 CG LEU A 121 -7.875 9.658 -0.420 1.00 0.00 C ATOM 792 CD1 LEU A 121 -7.027 10.334 -1.486 1.00 0.00 C ATOM 793 CD2 LEU A 121 -8.414 10.684 0.565 1.00 0.00 C ATOM 0 H LEU A 121 -8.424 9.234 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 121 -7.654 7.338 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -9.639 9.576 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -9.647 8.469 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 121 -7.245 8.956 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.216 10.885 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -6.611 9.579 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.646 11.023 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -7.584 11.230 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -9.067 11.382 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -8.978 10.176 1.347 1.00 0.00 H new ATOM 805 N GLY A 122 -9.180 5.402 -1.623 1.00 0.00 N ATOM 806 CA GLY A 122 -10.075 4.264 -1.523 1.00 0.00 C ATOM 807 C GLY A 122 -9.906 3.290 -2.672 1.00 0.00 C ATOM 808 O GLY A 122 -10.601 2.277 -2.743 1.00 0.00 O ATOM 0 H GLY A 122 -8.197 5.191 -1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.894 3.745 -0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -11.106 4.618 -1.499 1.00 0.00 H new ATOM 812 N ASP A 123 -8.980 3.597 -3.574 1.00 0.00 N ATOM 813 CA ASP A 123 -8.722 2.742 -4.726 1.00 0.00 C ATOM 814 C ASP A 123 -7.837 1.561 -4.338 1.00 0.00 C ATOM 815 O ASP A 123 -6.930 1.696 -3.517 1.00 0.00 O ATOM 816 CB ASP A 123 -8.059 3.545 -5.846 1.00 0.00 C ATOM 817 CG ASP A 123 -8.402 3.010 -7.223 1.00 0.00 C ATOM 818 OD1 ASP A 123 -9.593 3.051 -7.594 1.00 0.00 O ATOM 819 OD2 ASP A 123 -7.479 2.551 -7.928 1.00 0.00 O ATOM 0 H ASP A 123 -8.396 4.432 -3.529 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.677 2.356 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -8.371 4.587 -5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -6.978 3.527 -5.711 1.00 0.00 H new ATOM 824 N ARG A 124 -8.108 0.404 -4.933 1.00 0.00 N ATOM 825 CA ARG A 124 -7.338 -0.801 -4.648 1.00 0.00 C ATOM 826 C ARG A 124 -6.165 -0.938 -5.614 1.00 0.00 C ATOM 827 O ARG A 124 -6.345 -0.928 -6.832 1.00 0.00 O ATOM 828 CB ARG A 124 -8.234 -2.038 -4.739 1.00 0.00 C ATOM 829 CG ARG A 124 -7.746 -3.206 -3.899 1.00 0.00 C ATOM 830 CD ARG A 124 -8.820 -4.273 -3.751 1.00 0.00 C ATOM 831 NE ARG A 124 -8.645 -5.061 -2.534 1.00 0.00 N ATOM 832 CZ ARG A 124 -9.365 -6.139 -2.246 1.00 0.00 C ATOM 833 NH1 ARG A 124 -10.305 -6.555 -3.084 1.00 0.00 N ATOM 834 NH2 ARG A 124 -9.147 -6.803 -1.118 1.00 0.00 N ATOM 0 H ARG A 124 -8.855 0.275 -5.615 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.945 -0.719 -3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.242 -1.770 -4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.300 -2.353 -5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.860 -3.642 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.449 -2.848 -2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.802 -3.800 -3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.796 -4.934 -4.617 1.00 0.00 H new ATOM 0 HE ARG A 124 -7.930 -4.767 -1.868 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.476 -6.047 -3.952 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.857 -7.383 -2.861 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -8.426 -6.486 -0.471 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -9.701 -7.631 -0.898 1.00 0.00 H new ATOM 848 N VAL A 125 -4.962 -1.065 -5.062 1.00 0.00 N ATOM 849 CA VAL A 125 -3.760 -1.204 -5.874 1.00 0.00 C ATOM 850 C VAL A 125 -2.862 -2.315 -5.341 1.00 0.00 C ATOM 851 O VAL A 125 -2.834 -2.581 -4.140 1.00 0.00 O ATOM 852 CB VAL A 125 -2.958 0.111 -5.921 1.00 0.00 C ATOM 853 CG1 VAL A 125 -3.754 1.196 -6.629 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.575 0.550 -4.516 1.00 0.00 C ATOM 0 H VAL A 125 -4.795 -1.074 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.087 -1.457 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.042 -0.061 -6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.172 2.117 -6.653 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -3.974 0.879 -7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.688 1.370 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -2.009 1.480 -4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.477 0.706 -3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.964 -0.221 -4.048 1.00 0.00 H new ATOM 864 N MET A 126 -2.129 -2.960 -6.242 1.00 0.00 N ATOM 865 CA MET A 126 -1.228 -4.042 -5.861 1.00 0.00 C ATOM 866 C MET A 126 0.228 -3.630 -6.054 1.00 0.00 C ATOM 867 O MET A 126 0.544 -2.816 -6.923 1.00 0.00 O ATOM 868 CB MET A 126 -1.528 -5.297 -6.683 1.00 0.00 C ATOM 869 CG MET A 126 -0.542 -6.429 -6.445 1.00 0.00 C ATOM 870 SD MET A 126 -0.667 -7.731 -7.686 1.00 0.00 S ATOM 871 CE MET A 126 -1.957 -8.751 -6.977 1.00 0.00 C ATOM 0 H MET A 126 -2.141 -2.753 -7.241 1.00 0.00 H new ATOM 0 HA MET A 126 -1.389 -4.261 -4.805 1.00 0.00 H new ATOM 0 HB2 MET A 126 -2.533 -5.645 -6.445 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.523 -5.038 -7.742 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.472 -6.029 -6.445 1.00 0.00 H new ATOM 0 HG3 MET A 126 -0.716 -6.856 -5.457 1.00 0.00 H new ATOM 0 HE1 MET A 126 -2.456 -9.310 -7.769 1.00 0.00 H new ATOM 0 HE2 MET A 126 -1.519 -9.448 -6.262 1.00 0.00 H new ATOM 0 HE3 MET A 126 -2.683 -8.117 -6.468 1.00 0.00 H new ATOM 881 N VAL A 127 1.112 -4.196 -5.238 1.00 0.00 N ATOM 882 CA VAL A 127 2.535 -3.888 -5.320 1.00 0.00 C ATOM 883 C VAL A 127 3.192 -4.629 -6.479 1.00 0.00 C ATOM 884 O VAL A 127 3.501 -5.816 -6.376 1.00 0.00 O ATOM 885 CB VAL A 127 3.264 -4.253 -4.013 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.741 -3.904 -4.110 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.618 -3.549 -2.829 1.00 0.00 C ATOM 0 H VAL A 127 0.868 -4.870 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 127 2.617 -2.814 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 127 3.179 -5.329 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 127 5.239 -4.169 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 127 5.192 -4.458 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.851 -2.834 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.145 -3.818 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.671 -2.470 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.575 -3.854 -2.749 1.00 0.00 H new ATOM 897 N VAL A 128 3.403 -3.920 -7.584 1.00 0.00 N ATOM 898 CA VAL A 128 4.025 -4.510 -8.763 1.00 0.00 C ATOM 899 C VAL A 128 5.462 -4.930 -8.475 1.00 0.00 C ATOM 900 O VAL A 128 5.919 -5.975 -8.938 1.00 0.00 O ATOM 901 CB VAL A 128 4.017 -3.530 -9.951 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.119 -4.285 -11.268 1.00 0.00 C ATOM 903 CG2 VAL A 128 2.765 -2.665 -9.919 1.00 0.00 C ATOM 0 H VAL A 128 3.152 -2.937 -7.687 1.00 0.00 H new ATOM 0 HA VAL A 128 3.438 -5.391 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 128 4.886 -2.877 -9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.112 -3.576 -12.096 1.00 0.00 H new ATOM 0 HG12 VAL A 128 5.047 -4.857 -11.289 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.272 -4.964 -11.365 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.775 -1.978 -10.765 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.882 -3.301 -9.979 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.740 -2.095 -8.990 1.00 0.00 H new ATOM 913 N ASP A 129 6.169 -4.108 -7.707 1.00 0.00 N ATOM 914 CA ASP A 129 7.555 -4.395 -7.354 1.00 0.00 C ATOM 915 C ASP A 129 8.014 -3.516 -6.194 1.00 0.00 C ATOM 916 O ASP A 129 7.477 -2.430 -5.974 1.00 0.00 O ATOM 917 CB ASP A 129 8.466 -4.180 -8.564 1.00 0.00 C ATOM 918 CG ASP A 129 9.889 -4.636 -8.305 1.00 0.00 C ATOM 919 OD1 ASP A 129 10.585 -3.980 -7.503 1.00 0.00 O ATOM 920 OD2 ASP A 129 10.306 -5.648 -8.906 1.00 0.00 O ATOM 0 H ASP A 129 5.806 -3.238 -7.317 1.00 0.00 H new ATOM 0 HA ASP A 129 7.616 -5.438 -7.042 1.00 0.00 H new ATOM 0 HB2 ASP A 129 8.064 -4.723 -9.419 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.469 -3.123 -8.830 1.00 0.00 H new ATOM 925 N VAL A 130 9.009 -3.994 -5.454 1.00 0.00 N ATOM 926 CA VAL A 130 9.540 -3.253 -4.316 1.00 0.00 C ATOM 927 C VAL A 130 10.959 -3.699 -3.983 1.00 0.00 C ATOM 928 O VAL A 130 11.221 -4.889 -3.805 1.00 0.00 O ATOM 929 CB VAL A 130 8.653 -3.428 -3.069 1.00 0.00 C ATOM 930 CG1 VAL A 130 8.459 -4.904 -2.754 1.00 0.00 C ATOM 931 CG2 VAL A 130 9.255 -2.695 -1.880 1.00 0.00 C ATOM 0 H VAL A 130 9.464 -4.891 -5.622 1.00 0.00 H new ATOM 0 HA VAL A 130 9.550 -2.201 -4.601 1.00 0.00 H new ATOM 0 HB VAL A 130 7.675 -2.994 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 130 7.830 -5.008 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 130 7.980 -5.397 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 130 9.428 -5.366 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 130 8.615 -2.829 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 130 10.246 -3.097 -1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 130 9.336 -1.633 -2.110 1.00 0.00 H new ATOM 941 N ASP A 131 11.871 -2.737 -3.902 1.00 0.00 N ATOM 942 CA ASP A 131 13.265 -3.030 -3.588 1.00 0.00 C ATOM 943 C ASP A 131 13.585 -2.666 -2.142 1.00 0.00 C ATOM 944 O ASP A 131 14.474 -3.252 -1.526 1.00 0.00 O ATOM 945 CB ASP A 131 14.194 -2.269 -4.535 1.00 0.00 C ATOM 946 CG ASP A 131 15.628 -2.752 -4.452 1.00 0.00 C ATOM 947 OD1 ASP A 131 16.166 -2.825 -3.327 1.00 0.00 O ATOM 948 OD2 ASP A 131 16.213 -3.058 -5.512 1.00 0.00 O ATOM 0 H ASP A 131 11.671 -1.748 -4.049 1.00 0.00 H new ATOM 0 HA ASP A 131 13.423 -4.101 -3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 131 13.835 -2.380 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 131 14.158 -1.206 -4.298 1.00 0.00 H new ATOM 953 N GLY A 132 12.853 -1.694 -1.605 1.00 0.00 N ATOM 954 CA GLY A 132 13.075 -1.269 -0.235 1.00 0.00 C ATOM 955 C GLY A 132 11.864 -0.578 0.360 1.00 0.00 C ATOM 956 O GLY A 132 10.971 -1.231 0.902 1.00 0.00 O ATOM 0 H GLY A 132 12.111 -1.194 -2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 132 13.331 -2.136 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 132 13.929 -0.592 -0.201 1.00 0.00 H new ATOM 960 N LEU A 133 11.832 0.746 0.262 1.00 0.00 N ATOM 961 CA LEU A 133 10.722 1.527 0.797 1.00 0.00 C ATOM 962 C LEU A 133 9.861 2.091 -0.329 1.00 0.00 C ATOM 963 O LEU A 133 9.228 3.136 -0.177 1.00 0.00 O ATOM 964 CB LEU A 133 11.249 2.666 1.671 1.00 0.00 C ATOM 965 CG LEU A 133 10.212 3.380 2.539 1.00 0.00 C ATOM 966 CD1 LEU A 133 9.977 2.613 3.831 1.00 0.00 C ATOM 967 CD2 LEU A 133 10.655 4.805 2.835 1.00 0.00 C ATOM 0 H LEU A 133 12.562 1.302 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 133 10.105 0.866 1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 133 12.027 2.267 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.723 3.404 1.024 1.00 0.00 H new ATOM 0 HG LEU A 133 9.272 3.420 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.236 3.137 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.614 1.612 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 133 10.912 2.540 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 133 9.905 5.298 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 133 11.608 4.787 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.770 5.352 1.899 1.00 0.00 H new ATOM 979 N LYS A 134 9.840 1.391 -1.458 1.00 0.00 N ATOM 980 CA LYS A 134 9.054 1.820 -2.609 1.00 0.00 C ATOM 981 C LYS A 134 8.400 0.625 -3.296 1.00 0.00 C ATOM 982 O LYS A 134 9.063 -0.143 -3.995 1.00 0.00 O ATOM 983 CB LYS A 134 9.939 2.572 -3.606 1.00 0.00 C ATOM 984 CG LYS A 134 10.533 3.852 -3.045 1.00 0.00 C ATOM 985 CD LYS A 134 10.724 4.900 -4.129 1.00 0.00 C ATOM 986 CE LYS A 134 11.898 4.558 -5.034 1.00 0.00 C ATOM 987 NZ LYS A 134 11.523 3.561 -6.075 1.00 0.00 N ATOM 0 H LYS A 134 10.358 0.524 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 134 8.270 2.488 -2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 134 10.748 1.916 -3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.351 2.812 -4.492 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.880 4.247 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.492 3.634 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.815 4.979 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.889 5.874 -3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 134 12.262 5.466 -5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 134 12.718 4.165 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.324 3.418 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.280 2.658 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 10.703 3.910 -6.611 1.00 0.00 H new ATOM 1001 N LEU A 135 7.095 0.474 -3.094 1.00 0.00 N ATOM 1002 CA LEU A 135 6.350 -0.626 -3.696 1.00 0.00 C ATOM 1003 C LEU A 135 5.423 -0.119 -4.795 1.00 0.00 C ATOM 1004 O LEU A 135 4.244 0.142 -4.556 1.00 0.00 O ATOM 1005 CB LEU A 135 5.540 -1.363 -2.628 1.00 0.00 C ATOM 1006 CG LEU A 135 5.180 -0.554 -1.381 1.00 0.00 C ATOM 1007 CD1 LEU A 135 6.437 -0.154 -0.624 1.00 0.00 C ATOM 1008 CD2 LEU A 135 4.369 0.677 -1.759 1.00 0.00 C ATOM 0 H LEU A 135 6.532 1.099 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 135 7.066 -1.317 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 135 4.617 -1.721 -3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 135 6.103 -2.242 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 135 4.571 -1.180 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 135 6.162 0.421 0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 135 6.979 -1.049 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 135 7.072 0.454 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.122 1.240 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.953 1.305 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 135 3.450 0.368 -2.258 1.00 0.00 H new ATOM 1020 N LYS A 136 5.962 0.015 -6.002 1.00 0.00 N ATOM 1021 CA LYS A 136 5.183 0.487 -7.141 1.00 0.00 C ATOM 1022 C LYS A 136 3.770 -0.086 -7.108 1.00 0.00 C ATOM 1023 O LYS A 136 3.573 -1.288 -7.284 1.00 0.00 O ATOM 1024 CB LYS A 136 5.872 0.101 -8.451 1.00 0.00 C ATOM 1025 CG LYS A 136 6.858 1.142 -8.951 1.00 0.00 C ATOM 1026 CD LYS A 136 6.961 1.131 -10.467 1.00 0.00 C ATOM 1027 CE LYS A 136 5.737 1.761 -11.113 1.00 0.00 C ATOM 1028 NZ LYS A 136 5.488 1.216 -12.477 1.00 0.00 N ATOM 0 H LYS A 136 6.936 -0.197 -6.217 1.00 0.00 H new ATOM 0 HA LYS A 136 5.117 1.573 -7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.395 -0.845 -8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.113 -0.065 -9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 136 6.547 2.131 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.840 0.952 -8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.856 1.672 -10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.071 0.105 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 136 4.863 1.584 -10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.873 2.841 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 4.646 1.670 -12.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.311 1.407 -13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 5.333 0.189 -12.418 1.00 0.00 H new ATOM 1042 N VAL A 137 2.789 0.783 -6.884 1.00 0.00 N ATOM 1043 CA VAL A 137 1.393 0.363 -6.832 1.00 0.00 C ATOM 1044 C VAL A 137 0.633 0.827 -8.069 1.00 0.00 C ATOM 1045 O VAL A 137 0.682 2.000 -8.438 1.00 0.00 O ATOM 1046 CB VAL A 137 0.690 0.910 -5.575 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.455 0.517 -4.321 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.538 2.421 -5.665 1.00 0.00 C ATOM 0 H VAL A 137 2.935 1.782 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 137 1.391 -0.726 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.306 0.470 -5.517 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.943 0.912 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.507 -0.570 -4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.464 0.926 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.039 2.791 -4.769 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.522 2.881 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.057 2.675 -6.542 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.071 -0.102 -8.707 1.00 0.00 N ATOM 1059 CA LYS A 138 -0.844 0.210 -9.903 1.00 0.00 C ATOM 1060 C LYS A 138 -2.287 -0.263 -9.756 1.00 0.00 C ATOM 1061 O LYS A 138 -2.564 -1.230 -9.047 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.205 -0.441 -11.132 1.00 0.00 C ATOM 1063 CG LYS A 138 1.222 0.012 -11.388 1.00 0.00 C ATOM 1064 CD LYS A 138 1.574 -0.060 -12.864 1.00 0.00 C ATOM 1065 CE LYS A 138 1.305 -1.444 -13.435 1.00 0.00 C ATOM 1066 NZ LYS A 138 2.450 -2.369 -13.211 1.00 0.00 N ATOM 0 H LYS A 138 -0.122 -1.078 -8.415 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.846 1.292 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -0.217 -1.524 -11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -0.812 -0.215 -12.009 1.00 0.00 H new ATOM 0 HG2 LYS A 138 1.349 1.034 -11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.910 -0.612 -10.818 1.00 0.00 H new ATOM 0 HD2 LYS A 138 0.993 0.681 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 138 2.625 0.193 -13.001 1.00 0.00 H new ATOM 0 HE2 LYS A 138 0.408 -1.859 -12.975 1.00 0.00 H new ATOM 0 HE3 LYS A 138 1.107 -1.364 -14.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 2.735 -2.795 -14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 3.251 -1.840 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 2.166 -3.120 -12.550 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.201 0.425 -10.433 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.615 0.075 -10.378 1.00 0.00 C ATOM 1082 C ARG A 139 -4.833 -1.375 -10.798 1.00 0.00 C ATOM 1083 O ARG A 139 -4.307 -1.822 -11.817 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.429 1.006 -11.279 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.875 0.573 -11.455 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.773 1.185 -10.391 1.00 0.00 C ATOM 1087 NE ARG A 139 -9.140 1.371 -10.870 1.00 0.00 N ATOM 1088 CZ ARG A 139 -9.491 2.304 -11.748 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -8.580 3.131 -12.241 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -10.756 2.411 -12.135 1.00 0.00 N ATOM 0 H ARG A 139 -2.987 1.227 -11.025 1.00 0.00 H new ATOM 0 HA ARG A 139 -4.952 0.192 -9.348 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -5.408 2.012 -10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -4.953 1.058 -12.258 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.227 0.868 -12.443 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -6.939 -0.514 -11.406 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.782 0.543 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -7.364 2.146 -10.080 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.865 0.750 -10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.607 3.052 -11.946 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -8.852 3.846 -12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -11.460 1.776 -11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -11.024 3.128 -12.809 1.00 0.00 H new ATOM 1104 N ILE A 140 -5.612 -2.105 -10.005 1.00 0.00 N ATOM 1105 CA ILE A 140 -5.899 -3.504 -10.295 1.00 0.00 C ATOM 1106 C ILE A 140 -7.402 -3.761 -10.331 1.00 0.00 C ATOM 1107 O ILE A 140 -8.167 -3.232 -9.524 1.00 0.00 O ATOM 1108 CB ILE A 140 -5.255 -4.439 -9.255 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -5.579 -3.960 -7.838 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -3.750 -4.508 -9.465 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -5.512 -5.058 -6.799 1.00 0.00 C ATOM 0 H ILE A 140 -6.055 -1.750 -9.157 1.00 0.00 H new ATOM 0 HA ILE A 140 -5.472 -3.716 -11.275 1.00 0.00 H new ATOM 0 HB ILE A 140 -5.666 -5.440 -9.384 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -4.883 -3.168 -7.563 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -6.578 -3.524 -7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -3.309 -5.173 -8.722 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -3.539 -4.889 -10.464 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -3.322 -3.511 -9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -5.753 -4.647 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.228 -5.841 -7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -4.507 -5.479 -6.779 1.00 0.00 H new ATOM 1123 N PRO A 141 -7.837 -4.593 -11.289 1.00 0.00 N ATOM 1124 CA PRO A 141 -9.252 -4.941 -11.452 1.00 0.00 C ATOM 1125 C PRO A 141 -9.768 -5.819 -10.317 1.00 0.00 C ATOM 1126 O PRO A 141 -9.038 -6.632 -9.749 1.00 0.00 O ATOM 1127 CB PRO A 141 -9.278 -5.708 -12.776 1.00 0.00 C ATOM 1128 CG PRO A 141 -7.903 -6.265 -12.919 1.00 0.00 C ATOM 1129 CD PRO A 141 -6.982 -5.259 -12.285 1.00 0.00 C ATOM 0 HA PRO A 141 -9.892 -4.059 -11.442 1.00 0.00 H new ATOM 0 HB2 PRO A 141 -10.026 -6.500 -12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 141 -9.528 -5.051 -13.609 1.00 0.00 H new ATOM 0 HG2 PRO A 141 -7.821 -7.234 -12.427 1.00 0.00 H new ATOM 0 HG3 PRO A 141 -7.651 -6.418 -13.968 1.00 0.00 H new ATOM 0 HD2 PRO A 141 -6.122 -5.740 -11.819 1.00 0.00 H new ATOM 0 HD3 PRO A 141 -6.594 -4.552 -13.018 1.00 0.00 H new ATOM 1137 N PRO A 142 -11.055 -5.654 -9.978 1.00 0.00 N ATOM 1138 CA PRO A 142 -11.697 -6.424 -8.908 1.00 0.00 C ATOM 1139 C PRO A 142 -11.882 -7.891 -9.281 1.00 0.00 C ATOM 1140 O PRO A 142 -11.561 -8.302 -10.396 1.00 0.00 O ATOM 1141 CB PRO A 142 -13.055 -5.738 -8.744 1.00 0.00 C ATOM 1142 CG PRO A 142 -13.324 -5.108 -10.067 1.00 0.00 C ATOM 1143 CD PRO A 142 -11.983 -4.703 -10.613 1.00 0.00 C ATOM 0 HA PRO A 142 -11.098 -6.436 -7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -13.832 -6.456 -8.482 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -13.029 -4.993 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -13.823 -5.807 -10.738 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -13.980 -4.244 -9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -11.953 -4.777 -11.700 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -11.739 -3.672 -10.357 1.00 0.00 H new ATOM 1151 N GLN A 143 -12.400 -8.675 -8.341 1.00 0.00 N ATOM 1152 CA GLN A 143 -12.627 -10.096 -8.572 1.00 0.00 C ATOM 1153 C GLN A 143 -13.952 -10.326 -9.291 1.00 0.00 C ATOM 1154 O GLN A 143 -14.050 -11.173 -10.181 1.00 0.00 O ATOM 1155 CB GLN A 143 -12.614 -10.859 -7.246 1.00 0.00 C ATOM 1156 CG GLN A 143 -12.157 -12.302 -7.379 1.00 0.00 C ATOM 1157 CD GLN A 143 -11.966 -12.980 -6.036 1.00 0.00 C ATOM 1158 OE1 GLN A 143 -11.853 -12.318 -5.004 1.00 0.00 O ATOM 1159 NE2 GLN A 143 -11.929 -14.307 -6.043 1.00 0.00 N ATOM 0 H GLN A 143 -12.670 -8.350 -7.413 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.821 -10.468 -9.205 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -11.958 -10.342 -6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.616 -10.842 -6.817 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -12.890 -12.859 -7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -11.219 -12.332 -7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -12.027 -14.815 -6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -11.803 -14.818 -5.169 1.00 0.00 H new ATOM 1168 N LEU A 144 -14.971 -9.568 -8.900 1.00 0.00 N ATOM 1169 CA LEU A 144 -16.292 -9.689 -9.507 1.00 0.00 C ATOM 1170 C LEU A 144 -16.183 -9.851 -11.020 1.00 0.00 C ATOM 1171 O LEU A 144 -16.998 -10.533 -11.640 1.00 0.00 O ATOM 1172 CB LEU A 144 -17.142 -8.462 -9.174 1.00 0.00 C ATOM 1173 CG LEU A 144 -17.161 -8.037 -7.705 1.00 0.00 C ATOM 1174 CD1 LEU A 144 -18.098 -6.857 -7.503 1.00 0.00 C ATOM 1175 CD2 LEU A 144 -17.570 -9.203 -6.818 1.00 0.00 C ATOM 0 H LEU A 144 -14.908 -8.863 -8.165 1.00 0.00 H new ATOM 0 HA LEU A 144 -16.773 -10.578 -9.099 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -16.782 -7.623 -9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -18.167 -8.659 -9.488 1.00 0.00 H new ATOM 0 HG LEU A 144 -16.155 -7.728 -7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -18.099 -6.569 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -17.761 -6.017 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -19.108 -7.139 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -17.578 -8.882 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -18.566 -9.543 -7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -16.859 -10.020 -6.941 1.00 0.00 H new ATOM 1187 N GLU A 145 -15.170 -9.221 -11.606 1.00 0.00 N ATOM 1188 CA GLU A 145 -14.954 -9.298 -13.046 1.00 0.00 C ATOM 1189 C GLU A 145 -15.347 -10.671 -13.583 1.00 0.00 C ATOM 1190 O GLU A 145 -14.812 -11.129 -14.593 1.00 0.00 O ATOM 1191 CB GLU A 145 -13.490 -9.006 -13.381 1.00 0.00 C ATOM 1192 CG GLU A 145 -13.114 -7.540 -13.242 1.00 0.00 C ATOM 1193 CD GLU A 145 -11.993 -7.134 -14.179 1.00 0.00 C ATOM 1194 OE1 GLU A 145 -11.113 -7.976 -14.452 1.00 0.00 O ATOM 1195 OE2 GLU A 145 -11.998 -5.973 -14.640 1.00 0.00 O ATOM 0 H GLU A 145 -14.487 -8.652 -11.106 1.00 0.00 H new ATOM 0 HA GLU A 145 -15.584 -8.547 -13.523 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -12.851 -9.600 -12.727 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -13.288 -9.329 -14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -13.990 -6.923 -13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -12.812 -7.342 -12.213 1.00 0.00 H new TER 1202 GLU A 145