USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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 13 SER OG : rot 112:sc= 0.979 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 174:sc= 1.17 (180deg=-0.256) USER MOD Set 2.1: A 16 TYR OH : rot -140:sc= 1.31 USER MOD Set 2.2: A 34 LYS NZ :NH3+ 137:sc= -4.2! (180deg=-5.56!) USER MOD Set 3.1: A 3 THR OG1 : rot 140:sc= 0.0524 USER MOD Set 3.2: A 9 TYR OH : rot -116:sc= 1.38 USER MOD Single : A 1 HIS : no HD1:sc= -0.0911 X(o=-0.091,f=0) USER MOD Single : A 1 HIS N :NH3+ -120:sc= 0.0415 (180deg=-0.0979) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -160:sc= -2.11! USER MOD Single : A 11 GLN : amide:sc= -0.897 K(o=-0.9,f=-5.4!) USER MOD Single : A 12 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.91) USER MOD Single : A 19 HIS : no HD1:sc= -0.0902 X(o=-0.09,f=-0.011) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot -22:sc= -0.445 USER MOD Single : A 31 MET CE :methyl 134:sc= -0.85 (180deg=-2.55) USER MOD Single : A 41 HIS : no HE2:sc= -3.91! C(o=-3.9!,f=-5.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 132:sc= 1.05 (180deg=0.712) USER MOD Single : A 68 SER OG : rot 74:sc= 1.37 USER MOD Single : A 69 THR OG1 : rot 175:sc= -0.884 USER MOD Single : A 71 MET CE :methyl -162:sc= -0.39 (180deg=-1.08) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 40:sc= 0.527 USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= -0.029 (180deg=-0.3) USER MOD Single : A 78 CYS SG : rot -46:sc= -0.113 USER MOD Single : A 79 TYR OH : rot 9:sc= -1.16 USER MOD Single : A 81 THR OG1 : rot 80:sc= 0.0179 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 3.165 7.067 -12.359 1.00 0.00 N ATOM 2 CA HIS A 1 2.013 7.124 -11.468 1.00 0.00 C ATOM 3 C HIS A 1 2.485 7.314 -10.060 1.00 0.00 C ATOM 4 O HIS A 1 3.541 6.811 -9.688 1.00 0.00 O ATOM 5 CB HIS A 1 1.138 5.860 -11.578 1.00 0.00 C ATOM 6 CG HIS A 1 0.441 5.714 -12.899 1.00 0.00 C ATOM 7 ND1 HIS A 1 -0.908 5.937 -13.092 1.00 0.00 N ATOM 8 CD2 HIS A 1 0.933 5.347 -14.105 1.00 0.00 C ATOM 9 CE1 HIS A 1 -1.184 5.704 -14.378 1.00 0.00 C ATOM 10 NE2 HIS A 1 -0.093 5.342 -15.038 1.00 0.00 N ATOM 0 H1 HIS A 1 3.103 7.836 -13.056 1.00 0.00 H new ATOM 0 H2 HIS A 1 4.038 7.172 -11.804 1.00 0.00 H new ATOM 0 H3 HIS A 1 3.177 6.152 -12.853 1.00 0.00 H new ATOM 0 HA HIS A 1 1.392 7.969 -11.765 1.00 0.00 H new ATOM 0 HB2 HIS A 1 1.762 4.983 -11.409 1.00 0.00 H new ATOM 0 HB3 HIS A 1 0.391 5.877 -10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 1 1.964 5.097 -14.309 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -2.165 5.798 -14.821 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -0.023 5.108 -16.028 1.00 0.00 H new ATOM 18 N MET A 2 1.714 8.058 -9.309 1.00 0.00 N ATOM 19 CA MET A 2 1.966 8.411 -7.926 1.00 0.00 C ATOM 20 C MET A 2 0.733 9.080 -7.392 1.00 0.00 C ATOM 21 O MET A 2 0.191 9.982 -8.031 1.00 0.00 O ATOM 22 CB MET A 2 3.194 9.323 -7.780 1.00 0.00 C ATOM 23 CG MET A 2 3.308 10.448 -8.807 1.00 0.00 C ATOM 24 SD MET A 2 4.814 11.419 -8.598 1.00 0.00 S ATOM 25 CE MET A 2 4.765 12.448 -10.067 1.00 0.00 C ATOM 0 H MET A 2 0.844 8.458 -9.661 1.00 0.00 H new ATOM 0 HA MET A 2 2.188 7.509 -7.355 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.179 9.765 -6.784 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.091 8.707 -7.842 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.289 10.023 -9.811 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.441 11.104 -8.722 1.00 0.00 H new ATOM 0 HE1 MET A 2 5.634 13.105 -10.080 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.775 11.816 -10.955 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.856 13.049 -10.060 1.00 0.00 H new ATOM 35 N THR A 3 0.274 8.646 -6.266 1.00 0.00 N ATOM 36 CA THR A 3 -0.925 9.174 -5.712 1.00 0.00 C ATOM 37 C THR A 3 -0.677 9.912 -4.420 1.00 0.00 C ATOM 38 O THR A 3 0.005 9.418 -3.497 1.00 0.00 O ATOM 39 CB THR A 3 -2.016 8.089 -5.532 1.00 0.00 C ATOM 40 OG1 THR A 3 -3.214 8.675 -4.989 1.00 0.00 O ATOM 41 CG2 THR A 3 -1.549 6.963 -4.615 1.00 0.00 C ATOM 0 H THR A 3 0.718 7.918 -5.706 1.00 0.00 H new ATOM 0 HA THR A 3 -1.301 9.897 -6.436 1.00 0.00 H new ATOM 0 HB THR A 3 -2.220 7.667 -6.516 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.998 8.282 -5.427 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.343 6.223 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.664 6.491 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.306 7.370 -3.633 1.00 0.00 H new ATOM 49 N PHE A 4 -1.192 11.108 -4.378 1.00 0.00 N ATOM 50 CA PHE A 4 -1.101 11.965 -3.229 1.00 0.00 C ATOM 51 C PHE A 4 -2.495 12.510 -2.913 1.00 0.00 C ATOM 52 O PHE A 4 -2.647 13.567 -2.313 1.00 0.00 O ATOM 53 CB PHE A 4 -0.117 13.114 -3.504 1.00 0.00 C ATOM 54 CG PHE A 4 1.227 12.615 -3.907 1.00 0.00 C ATOM 55 CD1 PHE A 4 2.117 12.181 -2.960 1.00 0.00 C ATOM 56 CD2 PHE A 4 1.568 12.510 -5.239 1.00 0.00 C ATOM 57 CE1 PHE A 4 3.327 11.659 -3.326 1.00 0.00 C ATOM 58 CE2 PHE A 4 2.770 11.973 -5.608 1.00 0.00 C ATOM 59 CZ PHE A 4 3.650 11.547 -4.647 1.00 0.00 C ATOM 0 H PHE A 4 -1.699 11.524 -5.159 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.730 11.403 -2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.517 13.753 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.021 13.731 -2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.860 12.252 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.880 12.855 -5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.027 11.336 -2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.025 11.885 -6.654 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.600 11.122 -4.936 1.00 0.00 H new ATOM 69 N CYS A 5 -3.498 11.771 -3.320 1.00 0.00 N ATOM 70 CA CYS A 5 -4.880 12.108 -3.051 1.00 0.00 C ATOM 71 C CYS A 5 -5.556 10.897 -2.479 1.00 0.00 C ATOM 72 O CYS A 5 -5.927 9.982 -3.215 1.00 0.00 O ATOM 73 CB CYS A 5 -5.583 12.613 -4.307 1.00 0.00 C ATOM 74 SG CYS A 5 -4.920 14.160 -4.964 1.00 0.00 S ATOM 0 H CYS A 5 -3.380 10.909 -3.853 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.930 12.923 -2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.516 11.846 -5.079 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.641 12.751 -4.086 1.00 0.00 H new ATOM 0 HG CYS A 5 -5.584 14.499 -6.029 1.00 0.00 H new ATOM 80 N LEU A 6 -5.700 10.880 -1.160 1.00 0.00 N ATOM 81 CA LEU A 6 -6.250 9.722 -0.501 1.00 0.00 C ATOM 82 C LEU A 6 -7.765 9.661 -0.558 1.00 0.00 C ATOM 83 O LEU A 6 -8.353 8.657 -0.940 1.00 0.00 O ATOM 84 CB LEU A 6 -5.691 9.535 0.955 1.00 0.00 C ATOM 85 CG LEU A 6 -6.195 10.362 2.171 1.00 0.00 C ATOM 86 CD1 LEU A 6 -6.130 11.854 1.971 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.560 9.899 2.673 1.00 0.00 C ATOM 0 H LEU A 6 -5.445 11.648 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.902 8.864 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.841 8.486 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.615 9.697 0.896 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.480 10.152 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.499 12.357 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.098 12.152 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.746 12.134 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.862 10.511 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.295 9.999 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.499 8.855 2.981 1.00 0.00 H new ATOM 99 N GLU A 7 -8.402 10.782 -0.290 1.00 0.00 N ATOM 100 CA GLU A 7 -9.842 10.823 -0.237 1.00 0.00 C ATOM 101 C GLU A 7 -10.468 10.766 -1.639 1.00 0.00 C ATOM 102 O GLU A 7 -11.678 10.648 -1.810 1.00 0.00 O ATOM 103 CB GLU A 7 -10.315 12.001 0.638 1.00 0.00 C ATOM 104 CG GLU A 7 -11.815 12.215 0.703 1.00 0.00 C ATOM 105 CD GLU A 7 -12.205 13.320 1.632 1.00 0.00 C ATOM 106 OE1 GLU A 7 -12.046 14.511 1.270 1.00 0.00 O ATOM 107 OE2 GLU A 7 -12.706 13.025 2.733 1.00 0.00 O ATOM 0 H GLU A 7 -7.943 11.674 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.209 9.922 0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.945 11.847 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.853 12.915 0.265 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.189 12.438 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.295 11.291 1.024 1.00 0.00 H new ATOM 114 N THR A 8 -9.620 10.750 -2.631 1.00 0.00 N ATOM 115 CA THR A 8 -10.074 10.639 -3.983 1.00 0.00 C ATOM 116 C THR A 8 -10.461 9.178 -4.238 1.00 0.00 C ATOM 117 O THR A 8 -11.352 8.891 -5.026 1.00 0.00 O ATOM 118 CB THR A 8 -9.001 11.112 -4.979 1.00 0.00 C ATOM 119 OG1 THR A 8 -8.610 12.449 -4.631 1.00 0.00 O ATOM 120 CG2 THR A 8 -9.533 11.117 -6.410 1.00 0.00 C ATOM 0 H THR A 8 -8.608 10.813 -2.524 1.00 0.00 H new ATOM 0 HA THR A 8 -10.940 11.284 -4.132 1.00 0.00 H new ATOM 0 HB THR A 8 -8.155 10.426 -4.927 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.186 12.877 -5.404 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.750 11.456 -7.088 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.841 10.109 -6.687 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.388 11.790 -6.478 1.00 0.00 H new ATOM 128 N TYR A 9 -9.840 8.259 -3.490 1.00 0.00 N ATOM 129 CA TYR A 9 -10.179 6.850 -3.624 1.00 0.00 C ATOM 130 C TYR A 9 -11.500 6.558 -2.973 1.00 0.00 C ATOM 131 O TYR A 9 -12.206 5.645 -3.378 1.00 0.00 O ATOM 132 CB TYR A 9 -9.090 5.923 -3.104 1.00 0.00 C ATOM 133 CG TYR A 9 -7.880 5.885 -3.989 1.00 0.00 C ATOM 134 CD1 TYR A 9 -7.928 5.246 -5.221 1.00 0.00 C ATOM 135 CD2 TYR A 9 -6.699 6.483 -3.610 1.00 0.00 C ATOM 136 CE1 TYR A 9 -6.827 5.207 -6.047 1.00 0.00 C ATOM 137 CE2 TYR A 9 -5.596 6.448 -4.426 1.00 0.00 C ATOM 138 CZ TYR A 9 -5.663 5.810 -5.643 1.00 0.00 C ATOM 139 OH TYR A 9 -4.545 5.772 -6.458 1.00 0.00 O ATOM 0 H TYR A 9 -9.116 8.465 -2.802 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.264 6.648 -4.692 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.793 6.245 -2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.494 4.915 -3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.845 4.771 -5.537 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.640 6.987 -2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.879 4.707 -7.003 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.677 6.921 -4.113 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.833 5.267 -6.013 1.00 0.00 H new ATOM 149 N LEU A 10 -11.874 7.396 -2.015 1.00 0.00 N ATOM 150 CA LEU A 10 -13.149 7.271 -1.329 1.00 0.00 C ATOM 151 C LEU A 10 -14.271 7.667 -2.291 1.00 0.00 C ATOM 152 O LEU A 10 -15.429 7.281 -2.139 1.00 0.00 O ATOM 153 CB LEU A 10 -13.177 8.169 -0.088 1.00 0.00 C ATOM 154 CG LEU A 10 -14.471 8.150 0.732 1.00 0.00 C ATOM 155 CD1 LEU A 10 -14.714 6.777 1.346 1.00 0.00 C ATOM 156 CD2 LEU A 10 -14.445 9.229 1.795 1.00 0.00 C ATOM 0 H LEU A 10 -11.303 8.178 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.288 6.239 -1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.354 7.878 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.986 9.195 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.302 8.359 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.639 6.795 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.794 6.033 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.883 6.520 2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.373 9.199 2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.601 9.060 2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.343 10.205 1.320 1.00 0.00 H new ATOM 168 N GLN A 11 -13.887 8.400 -3.311 1.00 0.00 N ATOM 169 CA GLN A 11 -14.793 8.863 -4.334 1.00 0.00 C ATOM 170 C GLN A 11 -14.846 7.850 -5.478 1.00 0.00 C ATOM 171 O GLN A 11 -15.402 8.121 -6.551 1.00 0.00 O ATOM 172 CB GLN A 11 -14.316 10.214 -4.866 1.00 0.00 C ATOM 173 CG GLN A 11 -14.202 11.315 -3.819 1.00 0.00 C ATOM 174 CD GLN A 11 -15.526 11.744 -3.210 1.00 0.00 C ATOM 175 OE1 GLN A 11 -16.479 10.963 -3.087 1.00 0.00 O ATOM 176 NE2 GLN A 11 -15.596 12.986 -2.821 1.00 0.00 N ATOM 0 H GLN A 11 -12.921 8.695 -3.454 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.790 8.973 -3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.342 10.079 -5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.003 10.544 -5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.543 10.973 -3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.727 12.184 -4.274 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -14.792 13.603 -2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -16.455 13.341 -2.400 1.00 0.00 H new ATOM 185 N GLN A 12 -14.248 6.700 -5.251 1.00 0.00 N ATOM 186 CA GLN A 12 -14.182 5.635 -6.237 1.00 0.00 C ATOM 187 C GLN A 12 -14.656 4.328 -5.603 1.00 0.00 C ATOM 188 O GLN A 12 -15.429 3.570 -6.189 1.00 0.00 O ATOM 189 CB GLN A 12 -12.734 5.460 -6.725 1.00 0.00 C ATOM 190 CG GLN A 12 -12.100 6.722 -7.293 1.00 0.00 C ATOM 191 CD GLN A 12 -10.635 6.552 -7.674 1.00 0.00 C ATOM 192 OE1 GLN A 12 -9.850 7.499 -7.590 1.00 0.00 O ATOM 193 NE2 GLN A 12 -10.253 5.384 -8.123 1.00 0.00 N ATOM 0 H GLN A 12 -13.789 6.473 -4.369 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.820 5.892 -7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.125 5.106 -5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -12.713 4.683 -7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.661 7.036 -8.173 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.185 7.523 -6.559 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.922 4.617 -8.183 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.286 5.241 -8.413 1.00 0.00 H new ATOM 202 N SER A 13 -14.155 4.060 -4.422 1.00 0.00 N ATOM 203 CA SER A 13 -14.462 2.877 -3.647 1.00 0.00 C ATOM 204 C SER A 13 -14.248 3.245 -2.175 1.00 0.00 C ATOM 205 O SER A 13 -14.373 4.420 -1.824 1.00 0.00 O ATOM 206 CB SER A 13 -13.504 1.751 -4.076 1.00 0.00 C ATOM 207 OG SER A 13 -13.626 1.505 -5.473 1.00 0.00 O ATOM 0 H SER A 13 -13.496 4.683 -3.954 1.00 0.00 H new ATOM 0 HA SER A 13 -15.485 2.534 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.477 2.027 -3.837 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.728 0.841 -3.519 1.00 0.00 H new ATOM 0 HG SER A 13 -12.803 1.782 -5.927 1.00 0.00 H new ATOM 213 N GLY A 14 -13.982 2.272 -1.319 1.00 0.00 N ATOM 214 CA GLY A 14 -13.703 2.586 0.062 1.00 0.00 C ATOM 215 C GLY A 14 -12.338 3.244 0.182 1.00 0.00 C ATOM 216 O GLY A 14 -11.538 3.178 -0.756 1.00 0.00 O ATOM 0 H GLY A 14 -13.955 1.280 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.472 3.251 0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.731 1.677 0.663 1.00 0.00 H new ATOM 220 N GLU A 15 -12.057 3.840 1.316 1.00 0.00 N ATOM 221 CA GLU A 15 -10.807 4.533 1.512 1.00 0.00 C ATOM 222 C GLU A 15 -9.773 3.483 1.857 1.00 0.00 C ATOM 223 O GLU A 15 -10.114 2.443 2.447 1.00 0.00 O ATOM 224 CB GLU A 15 -10.981 5.593 2.614 1.00 0.00 C ATOM 225 CG GLU A 15 -10.009 6.774 2.562 1.00 0.00 C ATOM 226 CD GLU A 15 -10.387 7.841 3.572 1.00 0.00 C ATOM 227 OE1 GLU A 15 -11.212 8.713 3.249 1.00 0.00 O ATOM 228 OE2 GLU A 15 -9.905 7.811 4.724 1.00 0.00 O ATOM 0 H GLU A 15 -12.682 3.859 2.122 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.480 5.068 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.998 5.981 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.877 5.104 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.996 6.424 2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.007 7.203 1.560 1.00 0.00 H new ATOM 235 N TYR A 16 -8.569 3.699 1.457 1.00 0.00 N ATOM 236 CA TYR A 16 -7.516 2.749 1.660 1.00 0.00 C ATOM 237 C TYR A 16 -6.355 3.459 2.349 1.00 0.00 C ATOM 238 O TYR A 16 -5.209 2.984 2.390 1.00 0.00 O ATOM 239 CB TYR A 16 -7.183 2.165 0.260 1.00 0.00 C ATOM 240 CG TYR A 16 -5.939 1.305 0.083 1.00 0.00 C ATOM 241 CD1 TYR A 16 -5.867 0.000 0.560 1.00 0.00 C ATOM 242 CD2 TYR A 16 -4.842 1.809 -0.605 1.00 0.00 C ATOM 243 CE1 TYR A 16 -4.728 -0.771 0.354 1.00 0.00 C ATOM 244 CE2 TYR A 16 -3.718 1.049 -0.818 1.00 0.00 C ATOM 245 CZ TYR A 16 -3.657 -0.234 -0.343 1.00 0.00 C ATOM 246 OH TYR A 16 -2.511 -0.989 -0.567 1.00 0.00 O ATOM 0 H TYR A 16 -8.277 4.548 0.973 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.782 1.918 2.313 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.039 1.570 -0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.102 3.003 -0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.705 -0.419 1.096 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.874 2.821 -0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.678 -1.781 0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.881 1.464 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.719 -0.421 -0.462 1.00 0.00 H new ATOM 256 N GLU A 17 -6.718 4.546 3.002 1.00 0.00 N ATOM 257 CA GLU A 17 -5.815 5.418 3.667 1.00 0.00 C ATOM 258 C GLU A 17 -6.482 5.907 4.967 1.00 0.00 C ATOM 259 O GLU A 17 -7.662 5.718 5.138 1.00 0.00 O ATOM 260 CB GLU A 17 -5.435 6.592 2.764 1.00 0.00 C ATOM 261 CG GLU A 17 -4.792 6.204 1.419 1.00 0.00 C ATOM 262 CD GLU A 17 -5.743 6.238 0.223 1.00 0.00 C ATOM 263 OE1 GLU A 17 -6.896 5.749 0.329 1.00 0.00 O ATOM 264 OE2 GLU A 17 -5.338 6.822 -0.814 1.00 0.00 O ATOM 0 H GLU A 17 -7.691 4.843 3.077 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.893 4.888 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.330 7.180 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.744 7.238 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.959 6.878 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.376 5.200 1.507 1.00 0.00 H new ATOM 271 N ILE A 18 -5.730 6.547 5.887 1.00 0.00 N ATOM 272 CA ILE A 18 -6.311 6.962 7.158 1.00 0.00 C ATOM 273 C ILE A 18 -6.667 8.444 7.178 1.00 0.00 C ATOM 274 O ILE A 18 -7.260 8.947 8.128 1.00 0.00 O ATOM 275 CB ILE A 18 -5.406 6.576 8.396 1.00 0.00 C ATOM 276 CG1 ILE A 18 -6.265 6.199 9.609 1.00 0.00 C ATOM 277 CG2 ILE A 18 -4.411 7.697 8.769 1.00 0.00 C ATOM 278 CD1 ILE A 18 -5.471 5.841 10.852 1.00 0.00 C ATOM 0 H ILE A 18 -4.744 6.778 5.769 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.241 6.402 7.254 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.820 5.707 8.096 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.927 7.032 9.843 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -6.899 5.354 9.341 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.813 7.383 9.625 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.755 7.898 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.962 8.602 9.024 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.156 5.588 11.661 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.828 4.987 10.640 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.857 6.691 11.149 1.00 0.00 H new ATOM 290 N HIS A 19 -6.361 9.049 6.091 1.00 0.00 N ATOM 291 CA HIS A 19 -6.494 10.483 5.819 1.00 0.00 C ATOM 292 C HIS A 19 -5.317 11.149 6.456 1.00 0.00 C ATOM 293 O HIS A 19 -5.364 11.648 7.584 1.00 0.00 O ATOM 294 CB HIS A 19 -7.842 11.138 6.246 1.00 0.00 C ATOM 295 CG HIS A 19 -7.991 12.569 5.767 1.00 0.00 C ATOM 296 ND1 HIS A 19 -7.537 13.670 6.460 1.00 0.00 N ATOM 297 CD2 HIS A 19 -8.534 13.055 4.625 1.00 0.00 C ATOM 298 CE1 HIS A 19 -7.808 14.758 5.741 1.00 0.00 C ATOM 299 NE2 HIS A 19 -8.415 14.442 4.610 1.00 0.00 N ATOM 0 H HIS A 19 -5.980 8.543 5.292 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.510 10.620 4.738 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.667 10.543 5.854 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.921 11.116 7.333 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.988 12.459 3.847 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.564 15.766 6.042 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.730 15.080 3.880 1.00 0.00 H new ATOM 307 N MET A 20 -4.235 11.050 5.760 1.00 0.00 N ATOM 308 CA MET A 20 -2.985 11.543 6.188 1.00 0.00 C ATOM 309 C MET A 20 -2.194 11.697 4.911 1.00 0.00 C ATOM 310 O MET A 20 -2.732 11.369 3.831 1.00 0.00 O ATOM 311 CB MET A 20 -2.348 10.531 7.162 1.00 0.00 C ATOM 312 CG MET A 20 -1.462 11.052 8.259 1.00 0.00 C ATOM 313 SD MET A 20 0.024 11.915 7.706 1.00 0.00 S ATOM 314 CE MET A 20 0.773 12.324 9.278 1.00 0.00 C ATOM 0 H MET A 20 -4.204 10.605 4.843 1.00 0.00 H new ATOM 0 HA MET A 20 -3.038 12.488 6.729 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.155 9.966 7.628 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.764 9.825 6.572 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.045 11.730 8.883 1.00 0.00 H new ATOM 0 HG3 MET A 20 -1.163 10.215 8.890 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.705 12.863 9.108 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.092 12.950 9.854 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.979 11.408 9.832 1.00 0.00 H new ATOM 324 N LYS A 21 -0.980 12.122 4.991 1.00 0.00 N ATOM 325 CA LYS A 21 -0.183 12.349 3.829 1.00 0.00 C ATOM 326 C LYS A 21 0.242 11.056 3.199 1.00 0.00 C ATOM 327 O LYS A 21 1.089 10.325 3.690 1.00 0.00 O ATOM 328 CB LYS A 21 0.966 13.288 4.132 1.00 0.00 C ATOM 329 CG LYS A 21 0.456 14.666 4.493 1.00 0.00 C ATOM 330 CD LYS A 21 1.550 15.589 4.939 1.00 0.00 C ATOM 331 CE LYS A 21 0.974 16.957 5.252 1.00 0.00 C ATOM 332 NZ LYS A 21 1.966 17.879 5.833 1.00 0.00 N ATOM 0 H LYS A 21 -0.506 12.324 5.871 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.793 12.855 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.560 12.889 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.624 13.355 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.050 15.099 3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.286 14.578 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.044 15.182 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.307 15.673 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.572 17.394 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.141 16.844 5.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.516 18.797 6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.333 17.480 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.750 18.012 5.163 1.00 0.00 H new ATOM 346 N ARG A 22 -0.448 10.759 2.168 1.00 0.00 N ATOM 347 CA ARG A 22 -0.274 9.599 1.405 1.00 0.00 C ATOM 348 C ARG A 22 0.661 9.887 0.240 1.00 0.00 C ATOM 349 O ARG A 22 0.428 10.797 -0.557 1.00 0.00 O ATOM 350 CB ARG A 22 -1.647 9.080 0.909 1.00 0.00 C ATOM 351 CG ARG A 22 -2.384 9.929 -0.171 1.00 0.00 C ATOM 352 CD ARG A 22 -2.782 11.358 0.285 1.00 0.00 C ATOM 353 NE ARG A 22 -1.657 12.324 0.293 1.00 0.00 N ATOM 354 CZ ARG A 22 -1.678 13.567 0.831 1.00 0.00 C ATOM 355 NH1 ARG A 22 -2.702 13.974 1.555 1.00 0.00 N ATOM 356 NH2 ARG A 22 -0.630 14.364 0.687 1.00 0.00 N ATOM 0 H ARG A 22 -1.194 11.360 1.817 1.00 0.00 H new ATOM 0 HA ARG A 22 0.177 8.821 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.504 8.076 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.305 8.988 1.773 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.744 10.008 -1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.284 9.397 -0.479 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.565 11.733 -0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.207 11.303 1.287 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.787 12.025 -0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.493 13.350 1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.704 14.913 1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.189 14.041 0.172 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.642 15.301 1.091 1.00 0.00 H new ATOM 370 N ALA A 23 1.711 9.182 0.175 1.00 0.00 N ATOM 371 CA ALA A 23 2.629 9.322 -0.884 1.00 0.00 C ATOM 372 C ALA A 23 2.802 7.977 -1.538 1.00 0.00 C ATOM 373 O ALA A 23 3.737 7.245 -1.261 1.00 0.00 O ATOM 374 CB ALA A 23 3.950 9.876 -0.382 1.00 0.00 C ATOM 0 H ALA A 23 1.968 8.477 0.866 1.00 0.00 H new ATOM 0 HA ALA A 23 2.251 10.033 -1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.644 9.976 -1.217 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.786 10.853 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.371 9.197 0.360 1.00 0.00 H new ATOM 380 N GLY A 24 1.871 7.620 -2.350 1.00 0.00 N ATOM 381 CA GLY A 24 1.929 6.337 -2.969 1.00 0.00 C ATOM 382 C GLY A 24 2.536 6.436 -4.306 1.00 0.00 C ATOM 383 O GLY A 24 1.837 6.646 -5.260 1.00 0.00 O ATOM 0 H GLY A 24 1.064 8.191 -2.602 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.510 5.654 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.925 5.920 -3.049 1.00 0.00 H new ATOM 387 N PHE A 25 3.836 6.332 -4.380 1.00 0.00 N ATOM 388 CA PHE A 25 4.505 6.443 -5.649 1.00 0.00 C ATOM 389 C PHE A 25 4.374 5.150 -6.421 1.00 0.00 C ATOM 390 O PHE A 25 3.710 5.080 -7.433 1.00 0.00 O ATOM 391 CB PHE A 25 5.989 6.773 -5.476 1.00 0.00 C ATOM 392 CG PHE A 25 6.279 7.932 -4.577 1.00 0.00 C ATOM 393 CD1 PHE A 25 6.455 7.725 -3.225 1.00 0.00 C ATOM 394 CD2 PHE A 25 6.400 9.210 -5.078 1.00 0.00 C ATOM 395 CE1 PHE A 25 6.744 8.763 -2.379 1.00 0.00 C ATOM 396 CE2 PHE A 25 6.689 10.265 -4.230 1.00 0.00 C ATOM 397 CZ PHE A 25 6.861 10.035 -2.878 1.00 0.00 C ATOM 0 H PHE A 25 4.450 6.171 -3.582 1.00 0.00 H new ATOM 0 HA PHE A 25 4.031 7.256 -6.198 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.498 5.892 -5.084 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.417 6.978 -6.457 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.363 6.726 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.269 9.389 -6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.879 8.580 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.780 11.266 -4.624 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.087 10.857 -2.215 1.00 0.00 H new ATOM 407 N ARG A 26 4.953 4.110 -5.896 1.00 0.00 N ATOM 408 CA ARG A 26 4.948 2.847 -6.580 1.00 0.00 C ATOM 409 C ARG A 26 3.703 2.051 -6.332 1.00 0.00 C ATOM 410 O ARG A 26 3.140 1.503 -7.265 1.00 0.00 O ATOM 411 CB ARG A 26 6.143 2.032 -6.216 1.00 0.00 C ATOM 412 CG ARG A 26 7.493 2.599 -6.618 1.00 0.00 C ATOM 413 CD ARG A 26 7.654 2.652 -8.120 1.00 0.00 C ATOM 414 NE ARG A 26 6.925 3.776 -8.730 1.00 0.00 N ATOM 415 CZ ARG A 26 6.530 3.832 -10.005 1.00 0.00 C ATOM 416 NH1 ARG A 26 6.793 2.827 -10.835 1.00 0.00 N ATOM 417 NH2 ARG A 26 5.887 4.900 -10.447 1.00 0.00 N ATOM 0 H ARG A 26 5.435 4.110 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 26 4.979 3.085 -7.643 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.141 1.886 -5.136 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.037 1.047 -6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.604 3.602 -6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.287 1.988 -6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.713 2.735 -8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.299 1.717 -8.553 1.00 0.00 H new ATOM 0 HE ARG A 26 6.704 4.573 -8.133 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.299 2.007 -10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.489 2.876 -11.807 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.694 5.677 -9.815 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.584 4.946 -11.420 1.00 0.00 H new ATOM 431 N GLU A 27 3.203 2.035 -5.085 1.00 0.00 N ATOM 432 CA GLU A 27 2.031 1.225 -4.785 1.00 0.00 C ATOM 433 C GLU A 27 0.813 1.788 -5.503 1.00 0.00 C ATOM 434 O GLU A 27 -0.224 1.145 -5.596 1.00 0.00 O ATOM 435 CB GLU A 27 1.748 1.129 -3.304 1.00 0.00 C ATOM 436 CG GLU A 27 0.732 0.069 -2.979 1.00 0.00 C ATOM 437 CD GLU A 27 0.326 -0.018 -1.535 1.00 0.00 C ATOM 438 OE1 GLU A 27 -0.543 0.730 -1.130 1.00 0.00 O ATOM 439 OE2 GLU A 27 0.747 -0.962 -0.862 1.00 0.00 O ATOM 0 H GLU A 27 3.584 2.559 -4.297 1.00 0.00 H new ATOM 0 HA GLU A 27 2.245 0.216 -5.139 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.675 0.913 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.391 2.093 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.160 0.250 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.131 -0.898 -3.285 1.00 0.00 H new ATOM 446 N CYS A 28 0.972 2.989 -6.030 1.00 0.00 N ATOM 447 CA CYS A 28 -0.073 3.652 -6.798 1.00 0.00 C ATOM 448 C CYS A 28 -0.514 2.761 -7.947 1.00 0.00 C ATOM 449 O CYS A 28 -1.695 2.603 -8.189 1.00 0.00 O ATOM 450 CB CYS A 28 0.408 4.982 -7.359 1.00 0.00 C ATOM 451 SG CYS A 28 -0.854 5.902 -8.268 1.00 0.00 S ATOM 0 H CYS A 28 1.829 3.535 -5.939 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.910 3.841 -6.125 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.771 5.600 -6.538 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.255 4.800 -8.020 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.779 5.084 -8.675 1.00 0.00 H new ATOM 457 N ALA A 29 0.448 2.129 -8.605 1.00 0.00 N ATOM 458 CA ALA A 29 0.138 1.269 -9.718 1.00 0.00 C ATOM 459 C ALA A 29 -0.546 -0.004 -9.238 1.00 0.00 C ATOM 460 O ALA A 29 -1.421 -0.537 -9.902 1.00 0.00 O ATOM 461 CB ALA A 29 1.383 0.964 -10.529 1.00 0.00 C ATOM 0 H ALA A 29 1.441 2.200 -8.383 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.558 1.791 -10.374 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.123 0.313 -11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.805 1.893 -10.911 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.117 0.466 -9.895 1.00 0.00 H new ATOM 467 N ALA A 30 -0.180 -0.439 -8.047 1.00 0.00 N ATOM 468 CA ALA A 30 -0.708 -1.648 -7.461 1.00 0.00 C ATOM 469 C ALA A 30 -2.102 -1.493 -6.943 1.00 0.00 C ATOM 470 O ALA A 30 -2.908 -2.375 -7.095 1.00 0.00 O ATOM 471 CB ALA A 30 0.150 -2.060 -6.331 1.00 0.00 C ATOM 0 H ALA A 30 0.498 0.044 -7.457 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.724 -2.394 -8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.247 -2.973 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.163 -2.242 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.168 -1.270 -5.581 1.00 0.00 H new ATOM 477 N MET A 31 -2.374 -0.378 -6.306 1.00 0.00 N ATOM 478 CA MET A 31 -3.678 -0.136 -5.700 1.00 0.00 C ATOM 479 C MET A 31 -4.789 -0.136 -6.739 1.00 0.00 C ATOM 480 O MET A 31 -5.883 -0.634 -6.494 1.00 0.00 O ATOM 481 CB MET A 31 -3.674 1.129 -4.837 1.00 0.00 C ATOM 482 CG MET A 31 -3.359 2.400 -5.590 1.00 0.00 C ATOM 483 SD MET A 31 -3.215 3.843 -4.530 1.00 0.00 S ATOM 484 CE MET A 31 -1.884 3.362 -3.438 1.00 0.00 C ATOM 0 H MET A 31 -1.709 0.386 -6.189 1.00 0.00 H new ATOM 0 HA MET A 31 -3.888 -0.967 -5.026 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.651 1.234 -4.364 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.944 1.005 -4.037 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.426 2.267 -6.138 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.140 2.578 -6.329 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.175 4.185 -3.344 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.289 3.118 -2.456 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.375 2.489 -3.847 1.00 0.00 H new ATOM 494 N ILE A 32 -4.442 0.326 -7.921 1.00 0.00 N ATOM 495 CA ILE A 32 -5.340 0.368 -9.062 1.00 0.00 C ATOM 496 C ILE A 32 -5.712 -1.073 -9.490 1.00 0.00 C ATOM 497 O ILE A 32 -6.814 -1.338 -10.002 1.00 0.00 O ATOM 498 CB ILE A 32 -4.633 1.120 -10.231 1.00 0.00 C ATOM 499 CG1 ILE A 32 -4.350 2.575 -9.832 1.00 0.00 C ATOM 500 CG2 ILE A 32 -5.451 1.075 -11.520 1.00 0.00 C ATOM 501 CD1 ILE A 32 -3.545 3.352 -10.858 1.00 0.00 C ATOM 0 H ILE A 32 -3.511 0.691 -8.123 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.257 0.894 -8.797 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.690 0.609 -10.425 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.298 3.086 -9.667 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.814 2.583 -8.883 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.920 1.611 -12.307 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.597 0.038 -11.822 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.421 1.544 -11.352 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.388 4.370 -10.502 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.581 2.867 -11.007 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.088 3.378 -11.803 1.00 0.00 H new ATOM 513 N GLU A 33 -4.804 -1.992 -9.226 1.00 0.00 N ATOM 514 CA GLU A 33 -4.972 -3.384 -9.585 1.00 0.00 C ATOM 515 C GLU A 33 -5.598 -4.160 -8.416 1.00 0.00 C ATOM 516 O GLU A 33 -6.437 -5.032 -8.616 1.00 0.00 O ATOM 517 CB GLU A 33 -3.617 -4.000 -9.927 1.00 0.00 C ATOM 518 CG GLU A 33 -2.798 -3.219 -10.934 1.00 0.00 C ATOM 519 CD GLU A 33 -3.502 -3.023 -12.241 1.00 0.00 C ATOM 520 OE1 GLU A 33 -3.525 -3.962 -13.071 1.00 0.00 O ATOM 521 OE2 GLU A 33 -4.043 -1.936 -12.480 1.00 0.00 O ATOM 0 H GLU A 33 -3.923 -1.791 -8.753 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.630 -3.443 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.038 -4.101 -9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.779 -5.006 -10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.549 -2.245 -10.513 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.857 -3.740 -11.110 1.00 0.00 H new ATOM 528 N LYS A 34 -5.195 -3.797 -7.190 1.00 0.00 N ATOM 529 CA LYS A 34 -5.643 -4.433 -5.932 1.00 0.00 C ATOM 530 C LYS A 34 -7.118 -4.347 -5.781 1.00 0.00 C ATOM 531 O LYS A 34 -7.721 -5.183 -5.121 1.00 0.00 O ATOM 532 CB LYS A 34 -4.986 -3.761 -4.724 1.00 0.00 C ATOM 533 CG LYS A 34 -3.567 -4.212 -4.422 1.00 0.00 C ATOM 534 CD LYS A 34 -2.860 -3.205 -3.547 1.00 0.00 C ATOM 535 CE LYS A 34 -1.411 -3.542 -3.299 1.00 0.00 C ATOM 536 NZ LYS A 34 -0.836 -2.603 -2.323 1.00 0.00 N ATOM 0 H LYS A 34 -4.533 -3.036 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.348 -5.481 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.980 -2.683 -4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.604 -3.947 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.587 -5.182 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.016 -4.342 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.922 -2.222 -4.013 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.379 -3.138 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.325 -4.563 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.853 -3.495 -4.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.249 -3.126 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.249 -1.903 -2.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.603 -2.116 -1.817 1.00 0.00 H new ATOM 550 N LYS A 35 -7.696 -3.350 -6.429 1.00 0.00 N ATOM 551 CA LYS A 35 -9.098 -3.115 -6.398 1.00 0.00 C ATOM 552 C LYS A 35 -9.862 -4.314 -6.960 1.00 0.00 C ATOM 553 O LYS A 35 -11.003 -4.573 -6.567 1.00 0.00 O ATOM 554 CB LYS A 35 -9.455 -1.836 -7.176 1.00 0.00 C ATOM 555 CG LYS A 35 -10.949 -1.627 -7.316 1.00 0.00 C ATOM 556 CD LYS A 35 -11.310 -0.376 -8.071 1.00 0.00 C ATOM 557 CE LYS A 35 -12.803 -0.360 -8.374 1.00 0.00 C ATOM 558 NZ LYS A 35 -13.625 -0.575 -7.160 1.00 0.00 N ATOM 0 H LYS A 35 -7.179 -2.678 -6.997 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.394 -2.977 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.019 -0.975 -6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.006 -1.883 -8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.382 -2.488 -7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.397 -1.585 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.041 0.502 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.742 -0.326 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.070 0.595 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.031 -1.134 -9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.631 -0.455 -7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.466 -1.537 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.356 0.117 -6.431 1.00 0.00 H new ATOM 572 N ALA A 36 -9.209 -5.068 -7.845 1.00 0.00 N ATOM 573 CA ALA A 36 -9.833 -6.187 -8.471 1.00 0.00 C ATOM 574 C ALA A 36 -10.105 -7.272 -7.451 1.00 0.00 C ATOM 575 O ALA A 36 -11.255 -7.598 -7.168 1.00 0.00 O ATOM 576 CB ALA A 36 -9.000 -6.714 -9.627 1.00 0.00 C ATOM 0 H ALA A 36 -8.244 -4.906 -8.132 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.785 -5.858 -8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.505 -7.566 -10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.873 -5.928 -10.372 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.023 -7.026 -9.259 1.00 0.00 H new ATOM 582 N ARG A 37 -9.051 -7.790 -6.871 1.00 0.00 N ATOM 583 CA ARG A 37 -9.145 -8.828 -5.858 1.00 0.00 C ATOM 584 C ARG A 37 -7.958 -8.745 -4.926 1.00 0.00 C ATOM 585 O ARG A 37 -8.096 -8.345 -3.767 1.00 0.00 O ATOM 586 CB ARG A 37 -9.253 -10.249 -6.465 1.00 0.00 C ATOM 587 CG ARG A 37 -10.596 -10.617 -7.089 1.00 0.00 C ATOM 588 CD ARG A 37 -11.716 -10.564 -6.062 1.00 0.00 C ATOM 589 NE ARG A 37 -13.019 -10.926 -6.627 1.00 0.00 N ATOM 590 CZ ARG A 37 -14.198 -10.535 -6.129 1.00 0.00 C ATOM 591 NH1 ARG A 37 -14.242 -9.681 -5.107 1.00 0.00 N ATOM 592 NH2 ARG A 37 -15.325 -10.984 -6.660 1.00 0.00 N ATOM 0 H ARG A 37 -8.095 -7.506 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.065 -8.653 -5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.481 -10.355 -7.227 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -9.030 -10.974 -5.682 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.818 -9.933 -7.908 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.539 -11.618 -7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.481 -11.239 -5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.773 -9.559 -5.644 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.028 -11.517 -7.458 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.376 -9.324 -4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.142 -9.384 -4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.295 -11.629 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.223 -10.685 -6.279 1.00 0.00 H new ATOM 606 N ARG A 38 -6.793 -9.090 -5.429 1.00 0.00 N ATOM 607 CA ARG A 38 -5.587 -9.067 -4.651 1.00 0.00 C ATOM 608 C ARG A 38 -4.437 -8.989 -5.600 1.00 0.00 C ATOM 609 O ARG A 38 -4.336 -9.796 -6.528 1.00 0.00 O ATOM 610 CB ARG A 38 -5.451 -10.309 -3.739 1.00 0.00 C ATOM 611 CG ARG A 38 -5.259 -11.633 -4.449 1.00 0.00 C ATOM 612 CD ARG A 38 -4.967 -12.716 -3.460 1.00 0.00 C ATOM 613 NE ARG A 38 -4.613 -13.971 -4.108 1.00 0.00 N ATOM 614 CZ ARG A 38 -4.691 -15.177 -3.551 1.00 0.00 C ATOM 615 NH1 ARG A 38 -5.373 -15.361 -2.414 1.00 0.00 N ATOM 616 NH2 ARG A 38 -4.137 -16.208 -4.163 1.00 0.00 N ATOM 0 H ARG A 38 -6.662 -9.395 -6.394 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.607 -8.202 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.606 -10.153 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.343 -10.378 -3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.155 -11.882 -5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.440 -11.554 -5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.151 -12.402 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.839 -12.870 -2.825 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.277 -13.922 -5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.840 -14.572 -1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.426 -16.290 -1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.656 -16.075 -5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.190 -17.137 -3.746 1.00 0.00 H new ATOM 630 N VAL A 39 -3.615 -8.000 -5.447 1.00 0.00 N ATOM 631 CA VAL A 39 -2.506 -7.856 -6.355 1.00 0.00 C ATOM 632 C VAL A 39 -1.274 -7.408 -5.597 1.00 0.00 C ATOM 633 O VAL A 39 -1.366 -6.766 -4.529 1.00 0.00 O ATOM 634 CB VAL A 39 -2.825 -6.848 -7.516 1.00 0.00 C ATOM 635 CG1 VAL A 39 -1.670 -6.689 -8.512 1.00 0.00 C ATOM 636 CG2 VAL A 39 -4.089 -7.224 -8.267 1.00 0.00 C ATOM 0 H VAL A 39 -3.681 -7.289 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.321 -8.829 -6.810 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.976 -5.888 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.955 -5.979 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.787 -6.320 -7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.446 -7.654 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.270 -6.499 -9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.972 -8.217 -8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.934 -7.227 -7.579 1.00 0.00 H new ATOM 646 N VAL A 40 -0.158 -7.731 -6.158 1.00 0.00 N ATOM 647 CA VAL A 40 1.130 -7.445 -5.626 1.00 0.00 C ATOM 648 C VAL A 40 1.870 -6.480 -6.536 1.00 0.00 C ATOM 649 O VAL A 40 1.708 -6.515 -7.762 1.00 0.00 O ATOM 650 CB VAL A 40 1.956 -8.759 -5.453 1.00 0.00 C ATOM 651 CG1 VAL A 40 1.989 -9.561 -6.744 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.381 -8.489 -4.977 1.00 0.00 C ATOM 0 H VAL A 40 -0.119 -8.228 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 40 1.004 -6.983 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 40 1.450 -9.342 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.571 -10.470 -6.593 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.972 -9.825 -7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.447 -8.963 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.915 -9.434 -4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.895 -7.861 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.352 -7.979 -4.014 1.00 0.00 H new ATOM 662 N HIS A 41 2.635 -5.602 -5.950 1.00 0.00 N ATOM 663 CA HIS A 41 3.417 -4.697 -6.729 1.00 0.00 C ATOM 664 C HIS A 41 4.850 -5.001 -6.533 1.00 0.00 C ATOM 665 O HIS A 41 5.316 -5.084 -5.387 1.00 0.00 O ATOM 666 CB HIS A 41 3.182 -3.263 -6.341 1.00 0.00 C ATOM 667 CG HIS A 41 3.453 -2.308 -7.484 1.00 0.00 C ATOM 668 ND1 HIS A 41 4.483 -1.397 -7.521 1.00 0.00 N ATOM 669 CD2 HIS A 41 2.800 -2.173 -8.671 1.00 0.00 C ATOM 670 CE1 HIS A 41 4.433 -0.771 -8.699 1.00 0.00 C ATOM 671 NE2 HIS A 41 3.436 -1.211 -9.431 1.00 0.00 N ATOM 0 H HIS A 41 2.731 -5.497 -4.940 1.00 0.00 H new ATOM 0 HA HIS A 41 3.122 -4.823 -7.771 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.151 -3.143 -6.007 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.823 -3.007 -5.497 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.164 -1.230 -6.780 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.924 -2.729 -8.971 1.00 0.00 H new ATOM 0 HE1 HIS A 41 5.124 -0.001 -9.010 1.00 0.00 H new ATOM 679 N ILE A 42 5.536 -5.202 -7.609 1.00 0.00 N ATOM 680 CA ILE A 42 6.929 -5.426 -7.536 1.00 0.00 C ATOM 681 C ILE A 42 7.564 -4.043 -7.539 1.00 0.00 C ATOM 682 O ILE A 42 7.124 -3.163 -8.290 1.00 0.00 O ATOM 683 CB ILE A 42 7.457 -6.357 -8.672 1.00 0.00 C ATOM 684 CG1 ILE A 42 8.946 -6.673 -8.460 1.00 0.00 C ATOM 685 CG2 ILE A 42 7.202 -5.764 -10.059 1.00 0.00 C ATOM 686 CD1 ILE A 42 9.491 -7.729 -9.396 1.00 0.00 C ATOM 0 H ILE A 42 5.146 -5.214 -8.551 1.00 0.00 H new ATOM 0 HA ILE A 42 7.196 -5.971 -6.631 1.00 0.00 H new ATOM 0 HB ILE A 42 6.900 -7.292 -8.623 1.00 0.00 H new ATOM 0 HG12 ILE A 42 9.523 -5.757 -8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.094 -7.003 -7.432 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.585 -6.443 -10.821 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.131 -5.623 -10.203 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.709 -4.803 -10.142 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.547 -7.894 -9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.942 -8.660 -9.254 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.377 -7.395 -10.427 1.00 0.00 H new ATOM 698 N LYS A 43 8.513 -3.846 -6.657 1.00 0.00 N ATOM 699 CA LYS A 43 9.178 -2.548 -6.442 1.00 0.00 C ATOM 700 C LYS A 43 8.164 -1.524 -5.855 1.00 0.00 C ATOM 701 O LYS A 43 7.831 -0.552 -6.523 1.00 0.00 O ATOM 702 CB LYS A 43 9.788 -1.892 -7.722 1.00 0.00 C ATOM 703 CG LYS A 43 10.956 -2.569 -8.415 1.00 0.00 C ATOM 704 CD LYS A 43 11.463 -1.653 -9.537 1.00 0.00 C ATOM 705 CE LYS A 43 12.697 -2.188 -10.252 1.00 0.00 C ATOM 706 NZ LYS A 43 12.440 -3.442 -10.973 1.00 0.00 N ATOM 0 H LYS A 43 8.864 -4.586 -6.049 1.00 0.00 H new ATOM 0 HA LYS A 43 10.000 -2.776 -5.763 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.986 -1.791 -8.453 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.104 -0.884 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.755 -2.768 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.646 -3.531 -8.824 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.665 -1.510 -10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.692 -0.673 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.057 -1.437 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.492 -2.350 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.313 -3.759 -11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.122 -4.170 -10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.702 -3.286 -11.689 1.00 0.00 H new ATOM 720 N PRO A 44 7.555 -1.771 -4.664 1.00 0.00 N ATOM 721 CA PRO A 44 6.654 -0.804 -4.047 1.00 0.00 C ATOM 722 C PRO A 44 7.428 0.422 -3.565 1.00 0.00 C ATOM 723 O PRO A 44 8.667 0.419 -3.515 1.00 0.00 O ATOM 724 CB PRO A 44 6.069 -1.563 -2.862 1.00 0.00 C ATOM 725 CG PRO A 44 7.110 -2.559 -2.544 1.00 0.00 C ATOM 726 CD PRO A 44 7.619 -2.992 -3.872 1.00 0.00 C ATOM 0 HA PRO A 44 5.893 -0.436 -4.735 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.875 -0.901 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.122 -2.039 -3.118 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.904 -2.125 -1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.700 -3.398 -1.982 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.636 -3.378 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.004 -3.783 -4.301 1.00 0.00 H new ATOM 734 N GLY A 45 6.722 1.443 -3.217 1.00 0.00 N ATOM 735 CA GLY A 45 7.356 2.649 -2.813 1.00 0.00 C ATOM 736 C GLY A 45 6.332 3.622 -2.493 1.00 0.00 C ATOM 737 O GLY A 45 6.185 4.634 -3.156 1.00 0.00 O ATOM 0 H GLY A 45 5.702 1.466 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.993 2.470 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.999 3.024 -3.609 1.00 0.00 H new ATOM 741 N GLU A 46 5.519 3.243 -1.609 1.00 0.00 N ATOM 742 CA GLU A 46 4.495 4.067 -1.144 1.00 0.00 C ATOM 743 C GLU A 46 4.700 4.362 0.312 1.00 0.00 C ATOM 744 O GLU A 46 5.295 3.571 1.056 1.00 0.00 O ATOM 745 CB GLU A 46 3.155 3.359 -1.344 1.00 0.00 C ATOM 746 CG GLU A 46 2.855 2.184 -0.377 1.00 0.00 C ATOM 747 CD GLU A 46 3.887 1.066 -0.421 1.00 0.00 C ATOM 748 OE1 GLU A 46 4.429 0.786 -1.526 1.00 0.00 O ATOM 749 OE2 GLU A 46 4.186 0.492 0.655 1.00 0.00 O ATOM 0 H GLU A 46 5.545 2.322 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 46 4.501 5.005 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.359 4.097 -1.245 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.115 2.982 -2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.796 2.570 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.876 1.770 -0.618 1.00 0.00 H new ATOM 756 N LYS A 47 4.306 5.504 0.679 1.00 0.00 N ATOM 757 CA LYS A 47 4.311 5.939 2.013 1.00 0.00 C ATOM 758 C LYS A 47 3.052 6.624 2.265 1.00 0.00 C ATOM 759 O LYS A 47 2.917 7.822 2.211 1.00 0.00 O ATOM 760 CB LYS A 47 5.551 6.690 2.420 1.00 0.00 C ATOM 761 CG LYS A 47 6.609 5.732 2.905 1.00 0.00 C ATOM 762 CD LYS A 47 6.239 5.140 4.281 1.00 0.00 C ATOM 763 CE LYS A 47 6.709 3.700 4.446 1.00 0.00 C ATOM 764 NZ LYS A 47 6.005 2.777 3.520 1.00 0.00 N ATOM 0 H LYS A 47 3.951 6.203 0.026 1.00 0.00 H new ATOM 0 HA LYS A 47 4.370 5.076 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.931 7.264 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.310 7.404 3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.733 4.926 2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.566 6.248 2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.679 5.754 5.067 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.158 5.182 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.783 3.646 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.542 3.379 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.700 2.168 3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.339 2.187 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.483 3.329 2.810 1.00 0.00 H new ATOM 778 N ILE A 48 2.095 5.808 2.413 1.00 0.00 N ATOM 779 CA ILE A 48 0.781 6.203 2.602 1.00 0.00 C ATOM 780 C ILE A 48 0.578 6.380 4.057 1.00 0.00 C ATOM 781 O ILE A 48 0.672 5.424 4.767 1.00 0.00 O ATOM 782 CB ILE A 48 -0.162 5.105 2.046 1.00 0.00 C ATOM 783 CG1 ILE A 48 0.064 4.923 0.542 1.00 0.00 C ATOM 784 CG2 ILE A 48 -1.618 5.396 2.345 1.00 0.00 C ATOM 785 CD1 ILE A 48 -0.755 3.814 -0.070 1.00 0.00 C ATOM 0 H ILE A 48 2.220 4.796 2.404 1.00 0.00 H new ATOM 0 HA ILE A 48 0.564 7.135 2.081 1.00 0.00 H new ATOM 0 HB ILE A 48 0.083 4.172 2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.171 5.858 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.120 4.721 0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.240 4.599 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.764 5.452 3.424 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.900 6.346 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.539 3.748 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.503 2.868 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.815 4.023 0.073 1.00 0.00 H new ATOM 797 N LEU A 49 0.466 7.653 4.511 1.00 0.00 N ATOM 798 CA LEU A 49 0.185 8.024 5.934 1.00 0.00 C ATOM 799 C LEU A 49 1.390 7.727 6.834 1.00 0.00 C ATOM 800 O LEU A 49 1.371 8.012 8.031 1.00 0.00 O ATOM 801 CB LEU A 49 -0.987 7.199 6.465 1.00 0.00 C ATOM 802 CG LEU A 49 -2.116 6.938 5.506 1.00 0.00 C ATOM 803 CD1 LEU A 49 -2.830 5.712 5.899 1.00 0.00 C ATOM 804 CD2 LEU A 49 -3.049 8.086 5.371 1.00 0.00 C ATOM 0 H LEU A 49 0.568 8.463 3.900 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.040 9.090 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.601 6.238 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.393 7.708 7.339 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.676 6.800 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.647 5.527 5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.140 4.868 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.232 5.832 6.905 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.839 7.831 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.489 8.313 6.342 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.504 8.957 5.007 1.00 0.00 H new ATOM 816 N GLY A 50 2.411 7.144 6.258 1.00 0.00 N ATOM 817 CA GLY A 50 3.580 6.726 6.998 1.00 0.00 C ATOM 818 C GLY A 50 3.549 5.209 7.135 1.00 0.00 C ATOM 819 O GLY A 50 4.572 4.519 7.024 1.00 0.00 O ATOM 0 H GLY A 50 2.457 6.944 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.487 7.041 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.593 7.195 7.982 1.00 0.00 H new ATOM 823 N ALA A 51 2.356 4.708 7.327 1.00 0.00 N ATOM 824 CA ALA A 51 2.048 3.307 7.430 1.00 0.00 C ATOM 825 C ALA A 51 0.767 3.133 6.663 1.00 0.00 C ATOM 826 O ALA A 51 -0.172 3.904 6.870 1.00 0.00 O ATOM 827 CB ALA A 51 1.873 2.889 8.884 1.00 0.00 C ATOM 0 H ALA A 51 1.530 5.299 7.421 1.00 0.00 H new ATOM 0 HA ALA A 51 2.850 2.685 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.641 1.825 8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.795 3.084 9.432 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.058 3.458 9.331 1.00 0.00 H new ATOM 833 N ARG A 52 0.720 2.159 5.786 1.00 0.00 N ATOM 834 CA ARG A 52 -0.414 1.949 4.932 1.00 0.00 C ATOM 835 C ARG A 52 -1.556 1.413 5.749 1.00 0.00 C ATOM 836 O ARG A 52 -1.570 0.254 6.167 1.00 0.00 O ATOM 837 CB ARG A 52 0.001 1.045 3.730 1.00 0.00 C ATOM 838 CG ARG A 52 -1.050 0.758 2.640 1.00 0.00 C ATOM 839 CD ARG A 52 -2.056 -0.295 3.073 1.00 0.00 C ATOM 840 NE ARG A 52 -1.387 -1.539 3.500 1.00 0.00 N ATOM 841 CZ ARG A 52 -1.971 -2.539 4.169 1.00 0.00 C ATOM 842 NH1 ARG A 52 -3.256 -2.462 4.488 1.00 0.00 N ATOM 843 NH2 ARG A 52 -1.261 -3.603 4.545 1.00 0.00 N ATOM 0 H ARG A 52 1.475 1.488 5.647 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.765 2.884 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.863 1.506 3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.334 0.088 4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.576 1.680 2.394 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.547 0.425 1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.661 0.094 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.736 -0.511 2.249 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.400 -1.645 3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.799 -1.640 4.223 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.701 -3.225 4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.267 -3.657 4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.712 -4.363 5.055 1.00 0.00 H new ATOM 857 N ILE A 53 -2.476 2.278 6.016 1.00 0.00 N ATOM 858 CA ILE A 53 -3.608 1.974 6.801 1.00 0.00 C ATOM 859 C ILE A 53 -4.803 2.217 5.924 1.00 0.00 C ATOM 860 O ILE A 53 -4.845 3.212 5.264 1.00 0.00 O ATOM 861 CB ILE A 53 -3.701 2.903 8.048 1.00 0.00 C ATOM 862 CG1 ILE A 53 -2.445 2.814 8.941 1.00 0.00 C ATOM 863 CG2 ILE A 53 -4.962 2.623 8.861 1.00 0.00 C ATOM 864 CD1 ILE A 53 -2.157 1.433 9.506 1.00 0.00 C ATOM 0 H ILE A 53 -2.453 3.241 5.681 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.552 0.946 7.160 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.758 3.924 7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.581 3.141 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.556 3.513 9.770 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.994 3.289 9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.841 2.792 8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.953 1.588 9.202 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.257 1.471 10.119 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.999 1.107 10.117 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.009 0.729 8.687 1.00 0.00 H new ATOM 876 N ILE A 54 -5.735 1.323 5.929 1.00 0.00 N ATOM 877 CA ILE A 54 -6.922 1.407 5.094 1.00 0.00 C ATOM 878 C ILE A 54 -7.969 2.269 5.794 1.00 0.00 C ATOM 879 O ILE A 54 -8.661 3.063 5.180 1.00 0.00 O ATOM 880 CB ILE A 54 -7.482 -0.031 4.858 1.00 0.00 C ATOM 881 CG1 ILE A 54 -6.393 -0.910 4.227 1.00 0.00 C ATOM 882 CG2 ILE A 54 -8.724 -0.014 3.973 1.00 0.00 C ATOM 883 CD1 ILE A 54 -6.782 -2.363 4.058 1.00 0.00 C ATOM 0 H ILE A 54 -5.707 0.492 6.519 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.673 1.858 4.133 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.774 -0.444 5.824 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.133 -0.500 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.496 -0.856 4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.084 -1.033 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.502 0.583 4.449 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.475 0.420 3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.955 -2.911 3.606 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.013 -2.794 5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.659 -2.432 3.414 1.00 0.00 H new ATOM 895 N GLY A 55 -8.094 2.074 7.085 1.00 0.00 N ATOM 896 CA GLY A 55 -9.049 2.825 7.875 1.00 0.00 C ATOM 897 C GLY A 55 -10.400 2.157 7.856 1.00 0.00 C ATOM 898 O GLY A 55 -11.257 2.406 8.708 1.00 0.00 O ATOM 0 H GLY A 55 -7.544 1.398 7.616 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.693 2.908 8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.134 3.839 7.484 1.00 0.00 H new ATOM 902 N ILE A 56 -10.578 1.306 6.890 1.00 0.00 N ATOM 903 CA ILE A 56 -11.764 0.541 6.722 1.00 0.00 C ATOM 904 C ILE A 56 -11.466 -0.847 7.254 1.00 0.00 C ATOM 905 O ILE A 56 -10.657 -1.559 6.650 1.00 0.00 O ATOM 906 CB ILE A 56 -12.177 0.460 5.217 1.00 0.00 C ATOM 907 CG1 ILE A 56 -12.464 1.867 4.645 1.00 0.00 C ATOM 908 CG2 ILE A 56 -13.380 -0.461 5.016 1.00 0.00 C ATOM 909 CD1 ILE A 56 -13.582 2.622 5.338 1.00 0.00 C ATOM 0 H ILE A 56 -9.873 1.124 6.176 1.00 0.00 H new ATOM 0 HA ILE A 56 -12.593 1.005 7.256 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.336 0.034 4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.552 2.461 4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -12.711 1.770 3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.640 -0.494 3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.131 -1.465 5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -14.228 -0.082 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -13.709 3.597 4.867 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -14.509 2.055 5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.332 2.757 6.390 1.00 0.00 H new ATOM 921 N PRO A 57 -12.056 -1.213 8.420 1.00 0.00 N ATOM 922 CA PRO A 57 -11.823 -2.508 9.075 1.00 0.00 C ATOM 923 C PRO A 57 -12.060 -3.691 8.137 1.00 0.00 C ATOM 924 O PRO A 57 -13.195 -3.968 7.738 1.00 0.00 O ATOM 925 CB PRO A 57 -12.840 -2.523 10.219 1.00 0.00 C ATOM 926 CG PRO A 57 -13.082 -1.088 10.513 1.00 0.00 C ATOM 927 CD PRO A 57 -13.007 -0.386 9.191 1.00 0.00 C ATOM 0 HA PRO A 57 -10.789 -2.611 9.405 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.760 -3.030 9.927 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.450 -3.048 11.091 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.057 -0.943 10.979 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.336 -0.699 11.206 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.982 -0.337 8.706 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.653 0.639 9.299 1.00 0.00 H new ATOM 935 N PRO A 58 -10.993 -4.376 7.738 1.00 0.00 N ATOM 936 CA PRO A 58 -11.080 -5.496 6.850 1.00 0.00 C ATOM 937 C PRO A 58 -11.075 -6.808 7.609 1.00 0.00 C ATOM 938 O PRO A 58 -11.050 -6.817 8.846 1.00 0.00 O ATOM 939 CB PRO A 58 -9.780 -5.365 6.049 1.00 0.00 C ATOM 940 CG PRO A 58 -8.808 -4.645 6.947 1.00 0.00 C ATOM 941 CD PRO A 58 -9.593 -4.101 8.114 1.00 0.00 C ATOM 0 HA PRO A 58 -11.992 -5.498 6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.396 -6.345 5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.945 -4.808 5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.028 -5.324 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.312 -3.838 6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.322 -4.596 9.047 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.416 -3.035 8.256 1.00 0.00 H new ATOM 949 N VAL A 59 -11.145 -7.905 6.876 1.00 0.00 N ATOM 950 CA VAL A 59 -11.061 -9.226 7.476 1.00 0.00 C ATOM 951 C VAL A 59 -9.636 -9.370 8.013 1.00 0.00 C ATOM 952 O VAL A 59 -8.698 -9.392 7.244 1.00 0.00 O ATOM 953 CB VAL A 59 -11.361 -10.342 6.437 1.00 0.00 C ATOM 954 CG1 VAL A 59 -11.252 -11.727 7.068 1.00 0.00 C ATOM 955 CG2 VAL A 59 -12.744 -10.147 5.829 1.00 0.00 C ATOM 0 H VAL A 59 -11.260 -7.908 5.863 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.801 -9.331 8.270 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.615 -10.271 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.467 -12.487 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.243 -11.873 7.453 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.968 -11.812 7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.937 -10.937 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -13.496 -10.185 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.789 -9.179 5.331 1.00 0.00 H new ATOM 965 N PRO A 60 -9.450 -9.428 9.323 1.00 0.00 N ATOM 966 CA PRO A 60 -8.135 -9.352 9.909 1.00 0.00 C ATOM 967 C PRO A 60 -7.340 -10.656 9.909 1.00 0.00 C ATOM 968 O PRO A 60 -7.247 -11.348 10.934 1.00 0.00 O ATOM 969 CB PRO A 60 -8.405 -8.856 11.325 1.00 0.00 C ATOM 970 CG PRO A 60 -9.782 -9.343 11.653 1.00 0.00 C ATOM 971 CD PRO A 60 -10.501 -9.592 10.348 1.00 0.00 C ATOM 0 HA PRO A 60 -7.494 -8.697 9.320 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.670 -9.249 12.027 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.348 -7.769 11.379 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.734 -10.257 12.244 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.317 -8.605 12.250 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.937 -10.591 10.317 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -11.316 -8.884 10.200 1.00 0.00 H new ATOM 979 N ILE A 61 -6.827 -11.032 8.754 1.00 0.00 N ATOM 980 CA ILE A 61 -5.998 -12.188 8.630 1.00 0.00 C ATOM 981 C ILE A 61 -4.876 -11.741 7.736 1.00 0.00 C ATOM 982 O ILE A 61 -5.112 -10.918 6.865 1.00 0.00 O ATOM 983 CB ILE A 61 -6.767 -13.385 7.964 1.00 0.00 C ATOM 984 CG1 ILE A 61 -7.999 -13.786 8.802 1.00 0.00 C ATOM 985 CG2 ILE A 61 -5.845 -14.595 7.764 1.00 0.00 C ATOM 986 CD1 ILE A 61 -8.842 -14.885 8.184 1.00 0.00 C ATOM 0 H ILE A 61 -6.982 -10.533 7.878 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.661 -12.548 9.602 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.109 -13.050 6.985 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.664 -14.111 9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.624 -12.906 8.953 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.406 -15.407 7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.012 -14.315 7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.461 -14.923 8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.687 -15.106 8.836 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.210 -14.558 7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.236 -15.782 8.059 1.00 0.00 H new ATOM 998 N GLY A 62 -3.680 -12.165 7.970 1.00 0.00 N ATOM 999 CA GLY A 62 -2.644 -11.791 7.101 1.00 0.00 C ATOM 1000 C GLY A 62 -1.373 -11.423 7.790 1.00 0.00 C ATOM 1001 O GLY A 62 -1.387 -11.026 8.969 1.00 0.00 O ATOM 0 H GLY A 62 -3.408 -12.764 8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.447 -12.613 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.977 -10.945 6.499 1.00 0.00 H new ATOM 1005 N ILE A 63 -0.278 -11.533 7.056 1.00 0.00 N ATOM 1006 CA ILE A 63 1.054 -11.264 7.563 1.00 0.00 C ATOM 1007 C ILE A 63 1.980 -10.775 6.455 1.00 0.00 C ATOM 1008 O ILE A 63 1.702 -10.965 5.269 1.00 0.00 O ATOM 1009 CB ILE A 63 1.710 -12.546 8.141 1.00 0.00 C ATOM 1010 CG1 ILE A 63 1.555 -13.738 7.166 1.00 0.00 C ATOM 1011 CG2 ILE A 63 1.215 -12.881 9.549 1.00 0.00 C ATOM 1012 CD1 ILE A 63 2.245 -15.011 7.616 1.00 0.00 C ATOM 0 H ILE A 63 -0.292 -11.816 6.076 1.00 0.00 H new ATOM 0 HA ILE A 63 0.931 -10.505 8.336 1.00 0.00 H new ATOM 0 HB ILE A 63 2.776 -12.341 8.244 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.493 -13.944 7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.952 -13.449 6.193 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.708 -13.787 9.902 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.447 -12.056 10.222 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.137 -13.039 9.528 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.085 -15.793 6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.314 -14.827 7.724 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.833 -15.329 8.574 1.00 0.00 H new ATOM 1024 N ASP A 64 3.060 -10.143 6.850 1.00 0.00 N ATOM 1025 CA ASP A 64 4.092 -9.694 5.923 1.00 0.00 C ATOM 1026 C ASP A 64 5.223 -10.685 6.059 1.00 0.00 C ATOM 1027 O ASP A 64 5.547 -11.097 7.186 1.00 0.00 O ATOM 1028 CB ASP A 64 4.656 -8.284 6.269 1.00 0.00 C ATOM 1029 CG ASP A 64 3.656 -7.147 6.247 1.00 0.00 C ATOM 1030 OD1 ASP A 64 2.898 -6.986 7.238 1.00 0.00 O ATOM 1031 OD2 ASP A 64 3.662 -6.345 5.290 1.00 0.00 O ATOM 0 H ASP A 64 3.256 -9.921 7.826 1.00 0.00 H new ATOM 0 HA ASP A 64 3.666 -9.632 4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.106 -8.327 7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.456 -8.052 5.566 1.00 0.00 H new ATOM 1036 N GLU A 65 5.802 -11.113 4.965 1.00 0.00 N ATOM 1037 CA GLU A 65 6.908 -12.055 5.049 1.00 0.00 C ATOM 1038 C GLU A 65 8.202 -11.305 5.253 1.00 0.00 C ATOM 1039 O GLU A 65 8.866 -11.438 6.278 1.00 0.00 O ATOM 1040 CB GLU A 65 6.983 -12.933 3.806 1.00 0.00 C ATOM 1041 CG GLU A 65 5.751 -13.778 3.590 1.00 0.00 C ATOM 1042 CD GLU A 65 5.892 -14.733 2.437 1.00 0.00 C ATOM 1043 OE1 GLU A 65 6.921 -15.447 2.365 1.00 0.00 O ATOM 1044 OE2 GLU A 65 4.946 -14.883 1.662 1.00 0.00 O ATOM 0 H GLU A 65 5.538 -10.835 4.020 1.00 0.00 H new ATOM 0 HA GLU A 65 6.739 -12.711 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.137 -12.300 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.852 -13.586 3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.539 -14.342 4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.896 -13.126 3.413 1.00 0.00 H new ATOM 1051 N GLU A 66 8.523 -10.499 4.301 1.00 0.00 N ATOM 1052 CA GLU A 66 9.685 -9.665 4.320 1.00 0.00 C ATOM 1053 C GLU A 66 9.344 -8.539 3.394 1.00 0.00 C ATOM 1054 O GLU A 66 8.359 -8.643 2.662 1.00 0.00 O ATOM 1055 CB GLU A 66 10.924 -10.438 3.815 1.00 0.00 C ATOM 1056 CG GLU A 66 12.257 -9.711 3.963 1.00 0.00 C ATOM 1057 CD GLU A 66 13.425 -10.511 3.421 1.00 0.00 C ATOM 1058 OE1 GLU A 66 13.997 -11.333 4.161 1.00 0.00 O ATOM 1059 OE2 GLU A 66 13.807 -10.317 2.251 1.00 0.00 O ATOM 0 H GLU A 66 7.965 -10.395 3.453 1.00 0.00 H new ATOM 0 HA GLU A 66 9.934 -9.318 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.984 -11.384 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.776 -10.679 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.204 -8.755 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.431 -9.491 5.016 1.00 0.00 H new ATOM 1066 N ARG A 67 10.090 -7.490 3.414 1.00 0.00 N ATOM 1067 CA ARG A 67 9.801 -6.373 2.558 1.00 0.00 C ATOM 1068 C ARG A 67 10.241 -6.664 1.144 1.00 0.00 C ATOM 1069 O ARG A 67 9.581 -6.285 0.162 1.00 0.00 O ATOM 1070 CB ARG A 67 10.409 -5.091 3.117 1.00 0.00 C ATOM 1071 CG ARG A 67 10.124 -3.830 2.303 1.00 0.00 C ATOM 1072 CD ARG A 67 8.707 -3.824 1.740 1.00 0.00 C ATOM 1073 NE ARG A 67 7.648 -4.103 2.740 1.00 0.00 N ATOM 1074 CZ ARG A 67 6.655 -5.018 2.569 1.00 0.00 C ATOM 1075 NH1 ARG A 67 6.678 -5.847 1.507 1.00 0.00 N ATOM 1076 NH2 ARG A 67 5.690 -5.131 3.486 1.00 0.00 N ATOM 0 H ARG A 67 10.908 -7.374 4.012 1.00 0.00 H new ATOM 0 HA ARG A 67 8.723 -6.216 2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.036 -4.942 4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.489 -5.221 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.268 -2.952 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.840 -3.757 1.484 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.514 -2.852 1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.642 -4.566 0.944 1.00 0.00 H new ATOM 0 HE ARG A 67 7.665 -3.575 3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.440 -5.789 0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.934 -6.533 1.379 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.699 -4.532 4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.945 -5.816 3.360 1.00 0.00 H new ATOM 1090 N SER A 68 11.282 -7.386 1.050 1.00 0.00 N ATOM 1091 CA SER A 68 11.836 -7.808 -0.187 1.00 0.00 C ATOM 1092 C SER A 68 11.242 -9.140 -0.602 1.00 0.00 C ATOM 1093 O SER A 68 11.848 -9.951 -1.307 1.00 0.00 O ATOM 1094 CB SER A 68 13.329 -7.830 -0.036 1.00 0.00 C ATOM 1095 OG SER A 68 13.645 -7.925 1.349 1.00 0.00 O ATOM 0 H SER A 68 11.801 -7.719 1.862 1.00 0.00 H new ATOM 0 HA SER A 68 11.590 -7.119 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.752 -8.675 -0.579 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.766 -6.927 -0.462 1.00 0.00 H new ATOM 0 HG SER A 68 13.454 -8.832 1.667 1.00 0.00 H new ATOM 1101 N THR A 69 10.031 -9.306 -0.215 1.00 0.00 N ATOM 1102 CA THR A 69 9.260 -10.444 -0.439 1.00 0.00 C ATOM 1103 C THR A 69 7.818 -9.918 -0.393 1.00 0.00 C ATOM 1104 O THR A 69 7.619 -8.723 -0.100 1.00 0.00 O ATOM 1105 CB THR A 69 9.509 -11.449 0.706 1.00 0.00 C ATOM 1106 OG1 THR A 69 10.919 -11.758 0.809 1.00 0.00 O ATOM 1107 CG2 THR A 69 8.724 -12.749 0.563 1.00 0.00 C ATOM 0 H THR A 69 9.527 -8.588 0.305 1.00 0.00 H new ATOM 0 HA THR A 69 9.485 -10.955 -1.375 1.00 0.00 H new ATOM 0 HB THR A 69 9.155 -10.957 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.072 -12.332 1.589 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.950 -13.405 1.404 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.656 -12.530 0.551 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.004 -13.242 -0.368 1.00 0.00 H new ATOM 1115 N VAL A 70 6.859 -10.730 -0.697 1.00 0.00 N ATOM 1116 CA VAL A 70 5.497 -10.339 -0.660 1.00 0.00 C ATOM 1117 C VAL A 70 4.991 -10.355 0.752 1.00 0.00 C ATOM 1118 O VAL A 70 5.644 -10.841 1.688 1.00 0.00 O ATOM 1119 CB VAL A 70 4.609 -11.310 -1.495 1.00 0.00 C ATOM 1120 CG1 VAL A 70 4.958 -11.252 -2.960 1.00 0.00 C ATOM 1121 CG2 VAL A 70 4.723 -12.742 -0.982 1.00 0.00 C ATOM 0 H VAL A 70 7.007 -11.698 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 70 5.438 -9.335 -1.079 1.00 0.00 H new ATOM 0 HB VAL A 70 3.576 -10.983 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.320 -11.941 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.805 -10.238 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.002 -11.534 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.092 -13.396 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.759 -13.072 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.399 -12.783 0.058 1.00 0.00 H new ATOM 1131 N MET A 71 3.890 -9.773 0.902 1.00 0.00 N ATOM 1132 CA MET A 71 3.200 -9.770 2.128 1.00 0.00 C ATOM 1133 C MET A 71 1.878 -10.413 1.785 1.00 0.00 C ATOM 1134 O MET A 71 1.211 -9.960 0.868 1.00 0.00 O ATOM 1135 CB MET A 71 3.040 -8.335 2.715 1.00 0.00 C ATOM 1136 CG MET A 71 2.162 -7.374 1.905 1.00 0.00 C ATOM 1137 SD MET A 71 2.127 -5.697 2.570 1.00 0.00 S ATOM 1138 CE MET A 71 0.914 -4.934 1.496 1.00 0.00 C ATOM 0 H MET A 71 3.415 -9.263 0.157 1.00 0.00 H new ATOM 0 HA MET A 71 3.731 -10.306 2.914 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.623 -8.418 3.719 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.031 -7.893 2.817 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.525 -7.341 0.878 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.145 -7.764 1.872 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.006 -3.850 1.556 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.084 -5.256 0.469 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.087 -5.231 1.809 1.00 0.00 H new ATOM 1148 N ILE A 72 1.526 -11.477 2.430 1.00 0.00 N ATOM 1149 CA ILE A 72 0.300 -12.156 2.067 1.00 0.00 C ATOM 1150 C ILE A 72 -0.724 -12.052 3.164 1.00 0.00 C ATOM 1151 O ILE A 72 -0.713 -12.845 4.126 1.00 0.00 O ATOM 1152 CB ILE A 72 0.526 -13.664 1.684 1.00 0.00 C ATOM 1153 CG1 ILE A 72 1.495 -13.803 0.494 1.00 0.00 C ATOM 1154 CG2 ILE A 72 -0.804 -14.365 1.362 1.00 0.00 C ATOM 1155 CD1 ILE A 72 1.004 -13.173 -0.804 1.00 0.00 C ATOM 0 H ILE A 72 2.050 -11.898 3.198 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.074 -11.648 1.178 1.00 0.00 H new ATOM 0 HB ILE A 72 0.973 -14.150 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.448 -13.349 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.684 -14.862 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.613 -15.406 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.458 -14.323 2.233 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.286 -13.863 0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.750 -13.320 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.067 -13.642 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.843 -12.106 -0.652 1.00 0.00 H new ATOM 1167 N PRO A 73 -1.556 -11.024 3.138 1.00 0.00 N ATOM 1168 CA PRO A 73 -2.574 -10.912 4.070 1.00 0.00 C ATOM 1169 C PRO A 73 -3.929 -11.295 3.468 1.00 0.00 C ATOM 1170 O PRO A 73 -4.067 -11.495 2.256 1.00 0.00 O ATOM 1171 CB PRO A 73 -2.532 -9.448 4.459 1.00 0.00 C ATOM 1172 CG PRO A 73 -2.015 -8.743 3.224 1.00 0.00 C ATOM 1173 CD PRO A 73 -1.507 -9.834 2.281 1.00 0.00 C ATOM 0 HA PRO A 73 -2.446 -11.580 4.922 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.520 -9.083 4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.876 -9.283 5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.805 -8.159 2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.215 -8.048 3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.140 -9.939 1.400 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.497 -9.628 1.925 1.00 0.00 H new ATOM 1181 N TYR A 74 -4.903 -11.393 4.304 1.00 0.00 N ATOM 1182 CA TYR A 74 -6.234 -11.707 3.906 1.00 0.00 C ATOM 1183 C TYR A 74 -7.181 -10.680 4.416 1.00 0.00 C ATOM 1184 O TYR A 74 -8.354 -10.941 4.674 1.00 0.00 O ATOM 1185 CB TYR A 74 -6.632 -13.151 4.235 1.00 0.00 C ATOM 1186 CG TYR A 74 -6.002 -14.154 3.288 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -6.589 -14.419 2.056 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -4.819 -14.817 3.606 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -6.023 -15.310 1.169 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -4.247 -15.715 2.722 1.00 0.00 C ATOM 1191 CZ TYR A 74 -4.855 -15.956 1.503 1.00 0.00 C ATOM 1192 OH TYR A 74 -4.285 -16.844 0.610 1.00 0.00 O ATOM 0 H TYR A 74 -4.795 -11.254 5.309 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.284 -11.667 2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.334 -13.383 5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.717 -13.245 4.191 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.507 -13.917 1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.341 -14.628 4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.494 -15.500 0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.331 -16.225 2.982 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.464 -17.214 0.996 1.00 0.00 H new ATOM 1202 N THR A 75 -6.664 -9.478 4.485 1.00 0.00 N ATOM 1203 CA THR A 75 -7.409 -8.367 4.895 1.00 0.00 C ATOM 1204 C THR A 75 -8.224 -7.887 3.735 1.00 0.00 C ATOM 1205 O THR A 75 -7.699 -7.306 2.779 1.00 0.00 O ATOM 1206 CB THR A 75 -6.506 -7.262 5.424 1.00 0.00 C ATOM 1207 OG1 THR A 75 -5.486 -6.964 4.443 1.00 0.00 O ATOM 1208 CG2 THR A 75 -5.855 -7.677 6.736 1.00 0.00 C ATOM 0 H THR A 75 -5.695 -9.266 4.249 1.00 0.00 H new ATOM 0 HA THR A 75 -8.069 -8.654 5.713 1.00 0.00 H new ATOM 0 HB THR A 75 -7.111 -6.374 5.608 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.881 -6.979 3.546 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.214 -6.872 7.095 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.628 -7.883 7.476 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.256 -8.574 6.577 1.00 0.00 H new ATOM 1216 N LYS A 76 -9.471 -8.186 3.797 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.400 -7.862 2.753 1.00 0.00 C ATOM 1218 C LYS A 76 -11.244 -6.676 3.171 1.00 0.00 C ATOM 1219 O LYS A 76 -12.125 -6.801 4.025 1.00 0.00 O ATOM 1220 CB LYS A 76 -11.268 -9.079 2.442 1.00 0.00 C ATOM 1221 CG LYS A 76 -10.449 -10.317 2.101 1.00 0.00 C ATOM 1222 CD LYS A 76 -11.317 -11.531 1.820 1.00 0.00 C ATOM 1223 CE LYS A 76 -12.124 -11.384 0.538 1.00 0.00 C ATOM 1224 NZ LYS A 76 -11.251 -11.249 -0.647 1.00 0.00 N ATOM 0 H LYS A 76 -9.892 -8.673 4.588 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.858 -7.590 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.904 -9.295 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.928 -8.845 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.828 -10.109 1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.774 -10.541 2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.686 -12.417 1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.996 -11.690 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.772 -12.252 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.771 -10.510 0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.810 -11.405 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.841 -10.294 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.487 -11.953 -0.597 1.00 0.00 H new ATOM 1238 N PRO A 77 -10.920 -5.501 2.647 1.00 0.00 N ATOM 1239 CA PRO A 77 -11.602 -4.266 2.962 1.00 0.00 C ATOM 1240 C PRO A 77 -12.644 -3.895 1.898 1.00 0.00 C ATOM 1241 O PRO A 77 -13.104 -4.737 1.142 1.00 0.00 O ATOM 1242 CB PRO A 77 -10.435 -3.281 2.922 1.00 0.00 C ATOM 1243 CG PRO A 77 -9.527 -3.803 1.850 1.00 0.00 C ATOM 1244 CD PRO A 77 -9.825 -5.269 1.694 1.00 0.00 C ATOM 0 HA PRO A 77 -12.158 -4.298 3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.777 -2.272 2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.925 -3.234 3.884 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.694 -3.274 0.912 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.483 -3.649 2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.123 -5.512 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.954 -5.882 1.926 1.00 0.00 H new ATOM 1252 N CYS A 78 -12.960 -2.632 1.831 1.00 0.00 N ATOM 1253 CA CYS A 78 -13.917 -2.097 0.879 1.00 0.00 C ATOM 1254 C CYS A 78 -13.135 -1.563 -0.337 1.00 0.00 C ATOM 1255 O CYS A 78 -13.565 -0.657 -1.051 1.00 0.00 O ATOM 1256 CB CYS A 78 -14.693 -0.968 1.578 1.00 0.00 C ATOM 1257 SG CYS A 78 -16.109 -0.311 0.678 1.00 0.00 S ATOM 0 H CYS A 78 -12.556 -1.924 2.445 1.00 0.00 H new ATOM 0 HA CYS A 78 -14.622 -2.855 0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -15.040 -1.336 2.544 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -14.002 -0.149 1.778 1.00 0.00 H new ATOM 0 HG CYS A 78 -15.776 -0.101 -0.561 1.00 0.00 H new ATOM 1263 N TYR A 79 -11.996 -2.165 -0.573 1.00 0.00 N ATOM 1264 CA TYR A 79 -11.123 -1.751 -1.639 1.00 0.00 C ATOM 1265 C TYR A 79 -10.584 -2.989 -2.378 1.00 0.00 C ATOM 1266 O TYR A 79 -11.143 -3.408 -3.396 1.00 0.00 O ATOM 1267 CB TYR A 79 -9.994 -0.892 -1.045 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.126 -0.193 -2.045 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.490 1.043 -2.534 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -7.934 -0.751 -2.482 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -8.706 1.710 -3.431 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -7.133 -0.094 -3.377 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.525 1.148 -3.854 1.00 0.00 C ATOM 1274 OH TYR A 79 -6.733 1.832 -4.742 1.00 0.00 O ATOM 0 H TYR A 79 -11.649 -2.956 -0.030 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.662 -1.148 -2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.437 -0.144 -0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.364 -1.529 -0.424 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.414 1.493 -2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.633 -1.719 -2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.012 2.675 -3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.206 -0.538 -3.708 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.076 2.743 -4.852 1.00 0.00 H new ATOM 1284 N GLY A 80 -9.514 -3.553 -1.861 1.00 0.00 N ATOM 1285 CA GLY A 80 -8.934 -4.761 -2.410 1.00 0.00 C ATOM 1286 C GLY A 80 -7.832 -5.271 -1.516 1.00 0.00 C ATOM 1287 O GLY A 80 -7.467 -4.585 -0.551 1.00 0.00 O ATOM 0 H GLY A 80 -9.020 -3.187 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.704 -5.524 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.539 -4.562 -3.406 1.00 0.00 H new ATOM 1291 N THR A 81 -7.287 -6.438 -1.817 1.00 0.00 N ATOM 1292 CA THR A 81 -6.247 -7.014 -1.000 1.00 0.00 C ATOM 1293 C THR A 81 -4.905 -6.511 -1.525 1.00 0.00 C ATOM 1294 O THR A 81 -4.652 -6.520 -2.736 1.00 0.00 O ATOM 1295 CB THR A 81 -6.302 -8.550 -1.020 1.00 0.00 C ATOM 1296 OG1 THR A 81 -7.639 -8.994 -0.713 1.00 0.00 O ATOM 1297 CG2 THR A 81 -5.336 -9.151 0.000 1.00 0.00 C ATOM 0 H THR A 81 -7.552 -7.002 -2.625 1.00 0.00 H new ATOM 0 HA THR A 81 -6.385 -6.710 0.038 1.00 0.00 H new ATOM 0 HB THR A 81 -6.013 -8.883 -2.017 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.199 -8.925 -1.514 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.397 -10.239 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.319 -8.837 -0.233 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.602 -8.807 1.000 1.00 0.00 H new ATOM 1305 N ALA A 82 -4.054 -6.125 -0.628 1.00 0.00 N ATOM 1306 CA ALA A 82 -2.826 -5.538 -0.941 1.00 0.00 C ATOM 1307 C ALA A 82 -1.649 -6.423 -0.638 1.00 0.00 C ATOM 1308 O ALA A 82 -1.505 -6.923 0.464 1.00 0.00 O ATOM 1309 CB ALA A 82 -2.701 -4.253 -0.146 1.00 0.00 C ATOM 0 H ALA A 82 -4.218 -6.221 0.374 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.810 -5.355 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.748 -3.775 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.517 -3.580 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.748 -4.478 0.919 1.00 0.00 H new ATOM 1315 N VAL A 83 -0.827 -6.605 -1.631 1.00 0.00 N ATOM 1316 CA VAL A 83 0.393 -7.343 -1.534 1.00 0.00 C ATOM 1317 C VAL A 83 1.471 -6.459 -2.219 1.00 0.00 C ATOM 1318 O VAL A 83 1.173 -5.789 -3.205 1.00 0.00 O ATOM 1319 CB VAL A 83 0.264 -8.716 -2.276 1.00 0.00 C ATOM 1320 CG1 VAL A 83 1.528 -9.536 -2.142 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -0.933 -9.523 -1.768 1.00 0.00 C ATOM 0 H VAL A 83 -0.997 -6.228 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 83 0.648 -7.563 -0.497 1.00 0.00 H new ATOM 0 HB VAL A 83 0.104 -8.489 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.405 -10.483 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.365 -8.987 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.726 -9.730 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.989 -10.469 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.814 -9.719 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.850 -8.957 -1.933 1.00 0.00 H new ATOM 1331 N VAL A 84 2.659 -6.374 -1.658 1.00 0.00 N ATOM 1332 CA VAL A 84 3.771 -5.600 -2.242 1.00 0.00 C ATOM 1333 C VAL A 84 5.065 -6.405 -2.048 1.00 0.00 C ATOM 1334 O VAL A 84 5.221 -7.061 -1.006 1.00 0.00 O ATOM 1335 CB VAL A 84 3.930 -4.166 -1.583 1.00 0.00 C ATOM 1336 CG1 VAL A 84 2.727 -3.289 -1.871 1.00 0.00 C ATOM 1337 CG2 VAL A 84 4.173 -4.243 -0.083 1.00 0.00 C ATOM 0 H VAL A 84 2.897 -6.836 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 84 3.558 -5.437 -3.299 1.00 0.00 H new ATOM 0 HB VAL A 84 4.811 -3.714 -2.040 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.868 -2.314 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.617 -3.164 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.830 -3.758 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.275 -3.236 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.332 -4.743 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.087 -4.805 0.109 1.00 0.00 H new ATOM 1347 N GLU A 85 5.943 -6.410 -3.041 1.00 0.00 N ATOM 1348 CA GLU A 85 7.212 -7.134 -2.964 1.00 0.00 C ATOM 1349 C GLU A 85 8.311 -6.288 -3.562 1.00 0.00 C ATOM 1350 O GLU A 85 8.265 -5.928 -4.738 1.00 0.00 O ATOM 1351 CB GLU A 85 7.146 -8.466 -3.712 1.00 0.00 C ATOM 1352 CG GLU A 85 8.422 -9.292 -3.584 1.00 0.00 C ATOM 1353 CD GLU A 85 8.393 -10.571 -4.375 1.00 0.00 C ATOM 1354 OE1 GLU A 85 8.554 -10.517 -5.611 1.00 0.00 O ATOM 1355 OE2 GLU A 85 8.263 -11.651 -3.775 1.00 0.00 O ATOM 0 H GLU A 85 5.800 -5.915 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 85 7.417 -7.340 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.305 -9.047 -3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.950 -8.273 -4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.269 -8.690 -3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.588 -9.528 -2.533 1.00 0.00 H new ATOM 1362 N LEU A 86 9.276 -5.955 -2.775 1.00 0.00 N ATOM 1363 CA LEU A 86 10.359 -5.127 -3.228 1.00 0.00 C ATOM 1364 C LEU A 86 11.528 -6.024 -3.615 1.00 0.00 C ATOM 1365 O LEU A 86 11.716 -7.069 -3.021 1.00 0.00 O ATOM 1366 CB LEU A 86 10.776 -4.194 -2.097 1.00 0.00 C ATOM 1367 CG LEU A 86 11.749 -3.076 -2.449 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.039 -1.910 -3.112 1.00 0.00 C ATOM 1369 CD2 LEU A 86 12.497 -2.635 -1.226 1.00 0.00 C ATOM 0 H LEU A 86 9.344 -6.245 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 86 10.051 -4.534 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.876 -3.742 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.224 -4.797 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 86 12.468 -3.465 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.763 -1.131 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.558 -2.251 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.285 -1.510 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.189 -1.836 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.791 -2.271 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.055 -3.477 -0.817 1.00 0.00 H new ATOM 1381 N PRO A 87 12.283 -5.676 -4.653 1.00 0.00 N ATOM 1382 CA PRO A 87 13.445 -6.445 -5.046 1.00 0.00 C ATOM 1383 C PRO A 87 14.740 -5.900 -4.431 1.00 0.00 C ATOM 1384 O PRO A 87 15.830 -6.279 -4.842 1.00 0.00 O ATOM 1385 CB PRO A 87 13.459 -6.243 -6.544 1.00 0.00 C ATOM 1386 CG PRO A 87 12.991 -4.846 -6.729 1.00 0.00 C ATOM 1387 CD PRO A 87 12.036 -4.566 -5.596 1.00 0.00 C ATOM 0 HA PRO A 87 13.393 -7.484 -4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.458 -6.386 -6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.802 -6.953 -7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.829 -4.150 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.497 -4.726 -7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.232 -3.598 -5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.001 -4.553 -5.938 1.00 0.00 H new ATOM 1395 N VAL A 88 14.615 -5.015 -3.461 1.00 0.00 N ATOM 1396 CA VAL A 88 15.735 -4.432 -2.819 1.00 0.00 C ATOM 1397 C VAL A 88 15.602 -4.871 -1.401 1.00 0.00 C ATOM 1398 O VAL A 88 14.487 -5.215 -0.992 1.00 0.00 O ATOM 1399 CB VAL A 88 15.667 -2.872 -2.870 1.00 0.00 C ATOM 1400 CG1 VAL A 88 16.934 -2.214 -2.330 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.351 -2.365 -4.268 1.00 0.00 C ATOM 0 H VAL A 88 13.716 -4.689 -3.106 1.00 0.00 H new ATOM 0 HA VAL A 88 16.672 -4.729 -3.291 1.00 0.00 H new ATOM 0 HB VAL A 88 14.847 -2.584 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.834 -1.130 -2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.083 -2.509 -1.291 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.791 -2.532 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.313 -1.276 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.126 -2.696 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.387 -2.760 -4.589 1.00 0.00 H new ATOM 1411 N ASP A 89 16.684 -4.889 -0.678 1.00 0.00 N ATOM 1412 CA ASP A 89 16.697 -5.275 0.726 1.00 0.00 C ATOM 1413 C ASP A 89 15.660 -4.504 1.537 1.00 0.00 C ATOM 1414 O ASP A 89 15.284 -3.377 1.171 1.00 0.00 O ATOM 1415 CB ASP A 89 18.071 -5.029 1.336 1.00 0.00 C ATOM 1416 CG ASP A 89 19.101 -6.050 0.982 1.00 0.00 C ATOM 1417 OD1 ASP A 89 19.633 -6.022 -0.142 1.00 0.00 O ATOM 1418 OD2 ASP A 89 19.415 -6.897 1.831 1.00 0.00 O ATOM 0 H ASP A 89 17.602 -4.634 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 89 16.454 -6.337 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.425 -4.049 1.017 1.00 0.00 H new ATOM 0 HB3 ASP A 89 17.971 -4.994 2.421 1.00 0.00 H new ATOM 1423 N PRO A 90 15.228 -5.048 2.704 1.00 0.00 N ATOM 1424 CA PRO A 90 14.232 -4.403 3.549 1.00 0.00 C ATOM 1425 C PRO A 90 14.780 -3.112 4.127 1.00 0.00 C ATOM 1426 O PRO A 90 14.048 -2.295 4.664 1.00 0.00 O ATOM 1427 CB PRO A 90 13.958 -5.403 4.676 1.00 0.00 C ATOM 1428 CG PRO A 90 14.621 -6.671 4.271 1.00 0.00 C ATOM 1429 CD PRO A 90 15.693 -6.311 3.291 1.00 0.00 C ATOM 0 HA PRO A 90 13.331 -4.148 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 90 14.356 -5.041 5.624 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.887 -5.550 4.815 1.00 0.00 H new ATOM 0 HG2 PRO A 90 15.045 -7.178 5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 90 13.902 -7.356 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 90 16.659 -6.191 3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.815 -7.083 2.531 1.00 0.00 H new ATOM 1437 N GLU A 91 16.083 -2.924 3.973 1.00 0.00 N ATOM 1438 CA GLU A 91 16.742 -1.736 4.419 1.00 0.00 C ATOM 1439 C GLU A 91 16.271 -0.535 3.606 1.00 0.00 C ATOM 1440 O GLU A 91 16.456 0.602 4.028 1.00 0.00 O ATOM 1441 CB GLU A 91 18.260 -1.869 4.362 1.00 0.00 C ATOM 1442 CG GLU A 91 18.810 -2.082 2.973 1.00 0.00 C ATOM 1443 CD GLU A 91 20.303 -2.196 2.961 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.981 -1.157 2.886 1.00 0.00 O ATOM 1445 OE2 GLU A 91 20.833 -3.328 3.040 1.00 0.00 O ATOM 0 H GLU A 91 16.703 -3.603 3.531 1.00 0.00 H new ATOM 0 HA GLU A 91 16.475 -1.581 5.464 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.708 -0.970 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.564 -2.704 4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.376 -2.987 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.507 -1.253 2.334 1.00 0.00 H new ATOM 1452 N GLU A 92 15.629 -0.792 2.417 1.00 0.00 N ATOM 1453 CA GLU A 92 15.081 0.299 1.614 1.00 0.00 C ATOM 1454 C GLU A 92 14.039 1.061 2.451 1.00 0.00 C ATOM 1455 O GLU A 92 13.843 2.264 2.274 1.00 0.00 O ATOM 1456 CB GLU A 92 14.437 -0.250 0.334 1.00 0.00 C ATOM 1457 CG GLU A 92 13.818 0.802 -0.595 1.00 0.00 C ATOM 1458 CD GLU A 92 14.825 1.734 -1.232 1.00 0.00 C ATOM 1459 OE1 GLU A 92 15.371 2.618 -0.550 1.00 0.00 O ATOM 1460 OE2 GLU A 92 15.060 1.628 -2.443 1.00 0.00 O ATOM 0 H GLU A 92 15.494 -1.724 2.024 1.00 0.00 H new ATOM 0 HA GLU A 92 15.884 0.977 1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.192 -0.803 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.662 -0.963 0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.261 0.293 -1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.099 1.394 -0.028 1.00 0.00 H new ATOM 1467 N ILE A 93 13.426 0.352 3.426 1.00 0.00 N ATOM 1468 CA ILE A 93 12.433 0.938 4.314 1.00 0.00 C ATOM 1469 C ILE A 93 13.007 2.143 5.028 1.00 0.00 C ATOM 1470 O ILE A 93 12.329 3.078 5.198 1.00 0.00 O ATOM 1471 CB ILE A 93 11.897 -0.073 5.362 1.00 0.00 C ATOM 1472 CG1 ILE A 93 11.159 -1.233 4.682 1.00 0.00 C ATOM 1473 CG2 ILE A 93 10.987 0.608 6.406 1.00 0.00 C ATOM 1474 CD1 ILE A 93 10.625 -2.276 5.649 1.00 0.00 C ATOM 0 H ILE A 93 13.614 -0.634 3.607 1.00 0.00 H new ATOM 0 HA ILE A 93 11.595 1.240 3.686 1.00 0.00 H new ATOM 0 HB ILE A 93 12.762 -0.474 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.328 -0.831 4.101 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.835 -1.718 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.634 -0.135 7.121 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.550 1.378 6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.133 1.063 5.903 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.117 -3.063 5.091 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.452 -2.707 6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.922 -1.807 6.338 1.00 0.00 H new ATOM 1486 N GLU A 94 14.282 2.105 5.385 1.00 0.00 N ATOM 1487 CA GLU A 94 14.957 3.241 6.064 1.00 0.00 C ATOM 1488 C GLU A 94 14.831 4.528 5.231 1.00 0.00 C ATOM 1489 O GLU A 94 14.552 5.616 5.747 1.00 0.00 O ATOM 1490 CB GLU A 94 16.436 2.911 6.262 1.00 0.00 C ATOM 1491 CG GLU A 94 17.258 4.022 6.887 1.00 0.00 C ATOM 1492 CD GLU A 94 18.720 3.691 6.913 1.00 0.00 C ATOM 1493 OE1 GLU A 94 19.182 3.071 7.901 1.00 0.00 O ATOM 1494 OE2 GLU A 94 19.445 4.049 5.948 1.00 0.00 O ATOM 0 H GLU A 94 14.888 1.301 5.222 1.00 0.00 H new ATOM 0 HA GLU A 94 14.477 3.401 7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.515 2.023 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.870 2.657 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.105 4.945 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.909 4.204 7.904 1.00 0.00 H new ATOM 1501 N ARG A 95 14.983 4.369 3.956 1.00 0.00 N ATOM 1502 CA ARG A 95 14.941 5.462 3.004 1.00 0.00 C ATOM 1503 C ARG A 95 13.505 5.848 2.755 1.00 0.00 C ATOM 1504 O ARG A 95 13.159 7.013 2.721 1.00 0.00 O ATOM 1505 CB ARG A 95 15.725 5.019 1.744 1.00 0.00 C ATOM 1506 CG ARG A 95 15.768 5.960 0.544 1.00 0.00 C ATOM 1507 CD ARG A 95 14.501 5.873 -0.284 1.00 0.00 C ATOM 1508 NE ARG A 95 14.615 6.592 -1.541 1.00 0.00 N ATOM 1509 CZ ARG A 95 14.675 6.006 -2.739 1.00 0.00 C ATOM 1510 NH1 ARG A 95 14.761 4.670 -2.829 1.00 0.00 N ATOM 1511 NH2 ARG A 95 14.710 6.751 -3.844 1.00 0.00 N ATOM 0 H ARG A 95 15.144 3.459 3.525 1.00 0.00 H new ATOM 0 HA ARG A 95 15.423 6.366 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.753 4.821 2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.303 4.072 1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.907 6.984 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 95 16.628 5.715 -0.080 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.272 4.827 -0.486 1.00 0.00 H new ATOM 0 HD3 ARG A 95 13.666 6.277 0.289 1.00 0.00 H new ATOM 0 HE ARG A 95 14.652 7.611 -1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 95 14.781 4.102 -1.982 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.807 4.222 -3.744 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.691 7.768 -3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.756 6.304 -4.759 1.00 0.00 H new ATOM 1525 N ILE A 96 12.669 4.871 2.688 1.00 0.00 N ATOM 1526 CA ILE A 96 11.263 5.081 2.476 1.00 0.00 C ATOM 1527 C ILE A 96 10.618 5.598 3.788 1.00 0.00 C ATOM 1528 O ILE A 96 9.563 6.164 3.778 1.00 0.00 O ATOM 1529 CB ILE A 96 10.599 3.744 2.024 1.00 0.00 C ATOM 1530 CG1 ILE A 96 11.312 3.152 0.798 1.00 0.00 C ATOM 1531 CG2 ILE A 96 9.128 3.916 1.706 1.00 0.00 C ATOM 1532 CD1 ILE A 96 11.281 4.031 -0.447 1.00 0.00 C ATOM 0 H ILE A 96 12.936 3.891 2.779 1.00 0.00 H new ATOM 0 HA ILE A 96 11.111 5.825 1.694 1.00 0.00 H new ATOM 0 HB ILE A 96 10.694 3.058 2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 96 12.351 2.955 1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 96 10.856 2.191 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.708 2.959 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.603 4.272 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.012 4.641 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.809 3.531 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.247 4.209 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.766 4.983 -0.232 1.00 0.00 H new ATOM 1544 N LEU A 97 11.301 5.409 4.899 1.00 0.00 N ATOM 1545 CA LEU A 97 10.822 5.832 6.206 1.00 0.00 C ATOM 1546 C LEU A 97 11.128 7.297 6.391 1.00 0.00 C ATOM 1547 O LEU A 97 10.428 8.018 7.092 1.00 0.00 O ATOM 1548 CB LEU A 97 11.489 5.007 7.313 1.00 0.00 C ATOM 1549 CG LEU A 97 10.982 5.199 8.736 1.00 0.00 C ATOM 1550 CD1 LEU A 97 9.549 4.707 8.867 1.00 0.00 C ATOM 1551 CD2 LEU A 97 11.888 4.480 9.714 1.00 0.00 C ATOM 0 H LEU A 97 12.213 4.953 4.924 1.00 0.00 H new ATOM 0 HA LEU A 97 9.745 5.673 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.382 3.953 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 97 12.556 5.231 7.303 1.00 0.00 H new ATOM 0 HG LEU A 97 10.995 6.264 8.969 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.206 4.853 9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.908 5.268 8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.504 3.647 8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.516 4.624 10.728 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.903 3.415 9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.898 4.882 9.638 1.00 0.00 H new ATOM 1563 N GLU A 98 12.160 7.722 5.734 1.00 0.00 N ATOM 1564 CA GLU A 98 12.578 9.105 5.739 1.00 0.00 C ATOM 1565 C GLU A 98 11.610 9.880 4.845 1.00 0.00 C ATOM 1566 O GLU A 98 11.348 11.072 5.026 1.00 0.00 O ATOM 1567 CB GLU A 98 13.986 9.153 5.171 1.00 0.00 C ATOM 1568 CG GLU A 98 14.639 10.509 5.130 1.00 0.00 C ATOM 1569 CD GLU A 98 15.996 10.410 4.511 1.00 0.00 C ATOM 1570 OE1 GLU A 98 16.945 10.004 5.201 1.00 0.00 O ATOM 1571 OE2 GLU A 98 16.130 10.664 3.294 1.00 0.00 O ATOM 0 H GLU A 98 12.752 7.115 5.167 1.00 0.00 H new ATOM 0 HA GLU A 98 12.573 9.540 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.616 8.487 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.960 8.754 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 98 14.020 11.201 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.720 10.912 6.139 1.00 0.00 H new ATOM 1578 N VAL A 99 11.070 9.144 3.916 1.00 0.00 N ATOM 1579 CA VAL A 99 10.139 9.589 2.915 1.00 0.00 C ATOM 1580 C VAL A 99 8.678 9.185 3.334 1.00 0.00 C ATOM 1581 O VAL A 99 7.721 9.357 2.595 1.00 0.00 O ATOM 1582 CB VAL A 99 10.600 8.924 1.556 1.00 0.00 C ATOM 1583 CG1 VAL A 99 9.620 9.112 0.403 1.00 0.00 C ATOM 1584 CG2 VAL A 99 11.944 9.509 1.141 1.00 0.00 C ATOM 0 H VAL A 99 11.282 8.150 3.831 1.00 0.00 H new ATOM 0 HA VAL A 99 10.128 10.673 2.801 1.00 0.00 H new ATOM 0 HB VAL A 99 10.660 7.853 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.012 8.626 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.660 8.668 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.487 10.176 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.266 9.053 0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.846 10.586 1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.684 9.307 1.916 1.00 0.00 H new ATOM 1594 N ALA A 100 8.544 8.678 4.563 1.00 0.00 N ATOM 1595 CA ALA A 100 7.250 8.201 5.097 1.00 0.00 C ATOM 1596 C ALA A 100 6.120 9.211 5.057 1.00 0.00 C ATOM 1597 O ALA A 100 5.082 8.979 4.457 1.00 0.00 O ATOM 1598 CB ALA A 100 7.396 7.628 6.495 1.00 0.00 C ATOM 0 H ALA A 100 9.320 8.584 5.218 1.00 0.00 H new ATOM 0 HA ALA A 100 6.958 7.410 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.424 7.288 6.852 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.089 6.787 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.781 8.397 7.165 1.00 0.00 H new ATOM 1604 N GLU A 101 6.309 10.254 5.735 1.00 0.00 N ATOM 1605 CA GLU A 101 5.322 11.307 5.818 1.00 0.00 C ATOM 1606 C GLU A 101 5.636 12.491 4.902 1.00 0.00 C ATOM 1607 O GLU A 101 4.713 13.040 4.277 1.00 0.00 O ATOM 1608 CB GLU A 101 5.133 11.759 7.257 1.00 0.00 C ATOM 1609 CG GLU A 101 4.744 10.637 8.195 1.00 0.00 C ATOM 1610 CD GLU A 101 4.740 11.072 9.623 1.00 0.00 C ATOM 1611 OE1 GLU A 101 5.836 11.406 10.161 1.00 0.00 O ATOM 1612 OE2 GLU A 101 3.681 11.046 10.260 1.00 0.00 O ATOM 0 H GLU A 101 7.159 10.435 6.270 1.00 0.00 H new ATOM 0 HA GLU A 101 4.383 10.885 5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.058 12.214 7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 101 4.365 12.532 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.754 10.268 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.438 9.806 8.072 1.00 0.00 H new ATOM 1619 N PRO A 102 6.898 12.980 4.824 1.00 0.00 N ATOM 1620 CA PRO A 102 7.214 14.069 3.964 1.00 0.00 C ATOM 1621 C PRO A 102 7.761 13.603 2.611 1.00 0.00 C ATOM 1622 O PRO A 102 8.981 13.349 2.491 1.00 0.00 O ATOM 1623 CB PRO A 102 8.254 14.846 4.764 1.00 0.00 C ATOM 1624 CG PRO A 102 8.782 13.891 5.806 1.00 0.00 C ATOM 1625 CD PRO A 102 8.095 12.578 5.575 1.00 0.00 C ATOM 1626 OXT PRO A 102 6.963 13.486 1.648 1.00 0.00 O ATOM 0 HA PRO A 102 6.341 14.667 3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 102 9.057 15.200 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 102 7.809 15.725 5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 102 9.863 13.783 5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.579 14.263 6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.718 11.887 5.007 1.00 0.00 H new ATOM 0 HD3 PRO A 102 7.840 12.082 6.511 1.00 0.00 H new