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 3 THR OG1 : rot -170:sc= 1 USER MOD Set 1.2: A 28 CYS SG : rot 119:sc= 0.941 USER MOD Set 1.3: A 31 MET CE :methyl -117:sc= -1.52 (180deg=-1.53) USER MOD Single : A 1 HIS : no HE2:sc= -3.34 K(o=-3.3,f=-4.5!) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) 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 140:sc= -1.34 USER MOD Single : A 9 TYR OH : rot -124:sc= 0.845 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0827 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.939 USER MOD Single : A 19 HIS : no HE2:sc= 0.357 K(o=0.36,f=-1.6!) USER MOD Single : A 20 MET CE :methyl -161:sc= -0.112 (180deg=-0.62) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 1.87 (180deg=1.7) USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 0.582 (180deg=0.581) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=-1.5) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.22) USER MOD Single : A 68 SER OG : rot 121:sc= 0.784 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.871 USER MOD Single : A 71 MET CE :methyl -147:sc= 0 (180deg=-1.01) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 33:sc= 1.77 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 79 TYR OH : rot 160:sc= 1.18 USER MOD Single : A 81 THR OG1 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 6.085 9.702 -10.847 1.00 0.00 N ATOM 2 CA HIS A 1 5.044 8.722 -10.586 1.00 0.00 C ATOM 3 C HIS A 1 4.763 8.726 -9.078 1.00 0.00 C ATOM 4 O HIS A 1 5.615 8.321 -8.293 1.00 0.00 O ATOM 5 CB HIS A 1 5.550 7.342 -11.065 1.00 0.00 C ATOM 6 CG HIS A 1 4.547 6.233 -11.075 1.00 0.00 C ATOM 7 ND1 HIS A 1 4.044 5.666 -12.225 1.00 0.00 N ATOM 8 CD2 HIS A 1 4.005 5.542 -10.057 1.00 0.00 C ATOM 9 CE1 HIS A 1 3.237 4.673 -11.881 1.00 0.00 C ATOM 10 NE2 HIS A 1 3.178 4.554 -10.566 1.00 0.00 N ATOM 0 H1 HIS A 1 6.297 9.721 -11.865 1.00 0.00 H new ATOM 0 H2 HIS A 1 5.761 10.642 -10.543 1.00 0.00 H new ATOM 0 H3 HIS A 1 6.944 9.445 -10.320 1.00 0.00 H new ATOM 0 HA HIS A 1 4.120 8.954 -11.116 1.00 0.00 H new ATOM 0 HB2 HIS A 1 5.945 7.455 -12.075 1.00 0.00 H new ATOM 0 HB3 HIS A 1 6.383 7.044 -10.428 1.00 0.00 H new ATOM 0 HD1 HIS A 1 4.256 5.960 -13.178 1.00 0.00 H new ATOM 0 HD2 HIS A 1 4.186 5.728 -9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.701 4.047 -12.579 1.00 0.00 H new ATOM 18 N MET A 2 3.578 9.230 -8.680 1.00 0.00 N ATOM 19 CA MET A 2 3.186 9.352 -7.262 1.00 0.00 C ATOM 20 C MET A 2 1.773 9.883 -7.134 1.00 0.00 C ATOM 21 O MET A 2 1.298 10.620 -8.000 1.00 0.00 O ATOM 22 CB MET A 2 4.127 10.301 -6.502 1.00 0.00 C ATOM 23 CG MET A 2 4.265 11.670 -7.136 1.00 0.00 C ATOM 24 SD MET A 2 5.398 12.760 -6.241 1.00 0.00 S ATOM 25 CE MET A 2 5.368 14.205 -7.299 1.00 0.00 C ATOM 0 H MET A 2 2.867 9.563 -9.331 1.00 0.00 H new ATOM 0 HA MET A 2 3.248 8.353 -6.831 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.761 10.419 -5.482 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.113 9.842 -6.435 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.616 11.555 -8.161 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.283 12.140 -7.187 1.00 0.00 H new ATOM 0 HE1 MET A 2 6.020 14.974 -6.884 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.716 13.934 -8.296 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.350 14.588 -7.363 1.00 0.00 H new ATOM 35 N THR A 3 1.088 9.472 -6.092 1.00 0.00 N ATOM 36 CA THR A 3 -0.252 9.940 -5.798 1.00 0.00 C ATOM 37 C THR A 3 -0.470 9.943 -4.281 1.00 0.00 C ATOM 38 O THR A 3 -0.154 8.964 -3.590 1.00 0.00 O ATOM 39 CB THR A 3 -1.320 9.078 -6.498 1.00 0.00 C ATOM 40 OG1 THR A 3 -1.069 9.086 -7.909 1.00 0.00 O ATOM 41 CG2 THR A 3 -2.722 9.619 -6.239 1.00 0.00 C ATOM 0 H THR A 3 1.446 8.797 -5.417 1.00 0.00 H new ATOM 0 HA THR A 3 -0.355 10.955 -6.182 1.00 0.00 H new ATOM 0 HB THR A 3 -1.264 8.064 -6.101 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.825 8.676 -8.378 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.454 8.990 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.921 9.616 -5.167 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.795 10.638 -6.619 1.00 0.00 H new ATOM 49 N PHE A 4 -0.966 11.054 -3.776 1.00 0.00 N ATOM 50 CA PHE A 4 -1.182 11.243 -2.349 1.00 0.00 C ATOM 51 C PHE A 4 -2.668 11.380 -2.035 1.00 0.00 C ATOM 52 O PHE A 4 -3.062 11.650 -0.896 1.00 0.00 O ATOM 53 CB PHE A 4 -0.400 12.486 -1.891 1.00 0.00 C ATOM 54 CG PHE A 4 1.046 12.401 -2.306 1.00 0.00 C ATOM 55 CD1 PHE A 4 1.963 11.754 -1.514 1.00 0.00 C ATOM 56 CD2 PHE A 4 1.459 12.899 -3.533 1.00 0.00 C ATOM 57 CE1 PHE A 4 3.261 11.590 -1.929 1.00 0.00 C ATOM 58 CE2 PHE A 4 2.754 12.754 -3.945 1.00 0.00 C ATOM 59 CZ PHE A 4 3.656 12.092 -3.145 1.00 0.00 C ATOM 0 H PHE A 4 -1.233 11.858 -4.344 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.821 10.369 -1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.852 13.381 -2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.465 12.582 -0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.659 11.369 -0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.750 13.407 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.969 11.068 -1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.068 13.158 -4.896 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.677 11.967 -3.474 1.00 0.00 H new ATOM 69 N CYS A 5 -3.476 11.154 -3.037 1.00 0.00 N ATOM 70 CA CYS A 5 -4.896 11.239 -2.932 1.00 0.00 C ATOM 71 C CYS A 5 -5.419 9.915 -2.406 1.00 0.00 C ATOM 72 O CYS A 5 -5.239 8.875 -3.042 1.00 0.00 O ATOM 73 CB CYS A 5 -5.462 11.506 -4.314 1.00 0.00 C ATOM 74 SG CYS A 5 -4.703 12.892 -5.166 1.00 0.00 S ATOM 0 H CYS A 5 -3.150 10.900 -3.969 1.00 0.00 H new ATOM 0 HA CYS A 5 -5.191 12.041 -2.255 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.342 10.610 -4.923 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.533 11.690 -4.226 1.00 0.00 H new ATOM 0 HG CYS A 5 -5.253 13.036 -6.335 1.00 0.00 H new ATOM 80 N LEU A 6 -5.983 9.947 -1.234 1.00 0.00 N ATOM 81 CA LEU A 6 -6.512 8.761 -0.598 1.00 0.00 C ATOM 82 C LEU A 6 -8.041 8.668 -0.679 1.00 0.00 C ATOM 83 O LEU A 6 -8.593 7.744 -1.272 1.00 0.00 O ATOM 84 CB LEU A 6 -5.967 8.643 0.863 1.00 0.00 C ATOM 85 CG LEU A 6 -5.718 9.960 1.687 1.00 0.00 C ATOM 86 CD1 LEU A 6 -6.978 10.692 2.113 1.00 0.00 C ATOM 87 CD2 LEU A 6 -4.883 9.685 2.890 1.00 0.00 C ATOM 0 H LEU A 6 -6.093 10.799 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.155 7.896 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.667 8.028 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.025 8.097 0.821 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.194 10.621 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.707 11.586 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.549 10.978 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.584 10.039 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.725 10.611 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.392 8.963 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.920 9.279 2.580 1.00 0.00 H new ATOM 99 N GLU A 7 -8.677 9.721 -0.246 1.00 0.00 N ATOM 100 CA GLU A 7 -10.118 9.841 -0.140 1.00 0.00 C ATOM 101 C GLU A 7 -10.763 9.921 -1.526 1.00 0.00 C ATOM 102 O GLU A 7 -11.988 9.750 -1.690 1.00 0.00 O ATOM 103 CB GLU A 7 -10.396 11.106 0.668 1.00 0.00 C ATOM 104 CG GLU A 7 -11.831 11.394 0.982 1.00 0.00 C ATOM 105 CD GLU A 7 -11.981 12.740 1.611 1.00 0.00 C ATOM 106 OE1 GLU A 7 -11.839 12.860 2.847 1.00 0.00 O ATOM 107 OE2 GLU A 7 -12.225 13.716 0.870 1.00 0.00 O ATOM 0 H GLU A 7 -8.188 10.563 0.059 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.545 8.967 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.848 11.038 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.989 11.957 0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.423 11.348 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.221 10.629 1.654 1.00 0.00 H new ATOM 114 N THR A 8 -9.945 10.153 -2.523 1.00 0.00 N ATOM 115 CA THR A 8 -10.401 10.237 -3.864 1.00 0.00 C ATOM 116 C THR A 8 -10.762 8.851 -4.386 1.00 0.00 C ATOM 117 O THR A 8 -11.606 8.715 -5.279 1.00 0.00 O ATOM 118 CB THR A 8 -9.315 10.847 -4.722 1.00 0.00 C ATOM 119 OG1 THR A 8 -8.093 10.182 -4.415 1.00 0.00 O ATOM 120 CG2 THR A 8 -9.181 12.339 -4.447 1.00 0.00 C ATOM 0 H THR A 8 -8.940 10.288 -2.413 1.00 0.00 H new ATOM 0 HA THR A 8 -11.292 10.864 -3.903 1.00 0.00 H new ATOM 0 HB THR A 8 -9.564 10.727 -5.776 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.585 10.034 -5.240 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.394 12.756 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.125 12.836 -4.670 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.928 12.494 -3.398 1.00 0.00 H new ATOM 128 N TYR A 9 -10.152 7.816 -3.801 1.00 0.00 N ATOM 129 CA TYR A 9 -10.413 6.458 -4.222 1.00 0.00 C ATOM 130 C TYR A 9 -11.779 6.048 -3.723 1.00 0.00 C ATOM 131 O TYR A 9 -12.505 5.296 -4.385 1.00 0.00 O ATOM 132 CB TYR A 9 -9.352 5.489 -3.711 1.00 0.00 C ATOM 133 CG TYR A 9 -8.815 4.582 -4.800 1.00 0.00 C ATOM 134 CD1 TYR A 9 -9.666 3.761 -5.529 1.00 0.00 C ATOM 135 CD2 TYR A 9 -7.461 4.562 -5.112 1.00 0.00 C ATOM 136 CE1 TYR A 9 -9.188 2.944 -6.529 1.00 0.00 C ATOM 137 CE2 TYR A 9 -6.973 3.744 -6.114 1.00 0.00 C ATOM 138 CZ TYR A 9 -7.840 2.936 -6.817 1.00 0.00 C ATOM 139 OH TYR A 9 -7.359 2.115 -7.818 1.00 0.00 O ATOM 0 H TYR A 9 -9.479 7.903 -3.039 1.00 0.00 H new ATOM 0 HA TYR A 9 -10.381 6.421 -5.311 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.528 6.055 -3.276 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.776 4.880 -2.913 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.723 3.764 -5.307 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.779 5.195 -4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.866 2.313 -7.085 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.918 3.738 -6.345 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.661 1.530 -7.455 1.00 0.00 H new ATOM 149 N LEU A 10 -12.141 6.589 -2.571 1.00 0.00 N ATOM 150 CA LEU A 10 -13.433 6.358 -1.961 1.00 0.00 C ATOM 151 C LEU A 10 -14.502 6.889 -2.921 1.00 0.00 C ATOM 152 O LEU A 10 -15.489 6.214 -3.212 1.00 0.00 O ATOM 153 CB LEU A 10 -13.476 7.090 -0.589 1.00 0.00 C ATOM 154 CG LEU A 10 -14.633 6.788 0.402 1.00 0.00 C ATOM 155 CD1 LEU A 10 -14.350 7.469 1.729 1.00 0.00 C ATOM 156 CD2 LEU A 10 -15.983 7.263 -0.117 1.00 0.00 C ATOM 0 H LEU A 10 -11.537 7.207 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.614 5.298 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.540 6.874 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.489 8.161 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.684 5.706 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.161 7.258 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.412 7.093 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.273 8.546 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.757 7.028 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.952 8.341 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.208 6.761 -1.058 1.00 0.00 H new ATOM 168 N GLN A 11 -14.221 8.062 -3.496 1.00 0.00 N ATOM 169 CA GLN A 11 -15.124 8.755 -4.424 1.00 0.00 C ATOM 170 C GLN A 11 -15.273 7.981 -5.711 1.00 0.00 C ATOM 171 O GLN A 11 -16.181 8.230 -6.498 1.00 0.00 O ATOM 172 CB GLN A 11 -14.575 10.128 -4.764 1.00 0.00 C ATOM 173 CG GLN A 11 -14.451 11.066 -3.596 1.00 0.00 C ATOM 174 CD GLN A 11 -13.782 12.358 -3.982 1.00 0.00 C ATOM 175 OE1 GLN A 11 -13.873 12.806 -5.119 1.00 0.00 O ATOM 176 NE2 GLN A 11 -13.109 12.959 -3.054 1.00 0.00 N ATOM 0 H GLN A 11 -13.349 8.565 -3.329 1.00 0.00 H new ATOM 0 HA GLN A 11 -16.093 8.843 -3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.593 10.008 -5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.221 10.587 -5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.442 11.276 -3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.880 10.584 -2.803 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.056 12.555 -2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.631 13.837 -3.258 1.00 0.00 H new ATOM 185 N GLN A 12 -14.366 7.080 -5.938 1.00 0.00 N ATOM 186 CA GLN A 12 -14.388 6.284 -7.116 1.00 0.00 C ATOM 187 C GLN A 12 -15.077 4.960 -6.867 1.00 0.00 C ATOM 188 O GLN A 12 -15.923 4.532 -7.655 1.00 0.00 O ATOM 189 CB GLN A 12 -12.979 6.077 -7.648 1.00 0.00 C ATOM 190 CG GLN A 12 -12.353 7.355 -8.156 1.00 0.00 C ATOM 191 CD GLN A 12 -10.899 7.214 -8.508 1.00 0.00 C ATOM 192 OE1 GLN A 12 -10.162 6.428 -7.902 1.00 0.00 O ATOM 193 NE2 GLN A 12 -10.468 7.961 -9.480 1.00 0.00 N ATOM 0 H GLN A 12 -13.590 6.880 -5.307 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.962 6.816 -7.874 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -12.354 5.661 -6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.004 5.344 -8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.900 7.693 -9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.461 8.129 -7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.107 8.598 -9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.490 7.911 -9.767 1.00 0.00 H new ATOM 202 N SER A 13 -14.750 4.320 -5.769 1.00 0.00 N ATOM 203 CA SER A 13 -15.311 3.025 -5.470 1.00 0.00 C ATOM 204 C SER A 13 -15.428 2.811 -3.965 1.00 0.00 C ATOM 205 O SER A 13 -16.540 2.786 -3.407 1.00 0.00 O ATOM 206 CB SER A 13 -14.453 1.915 -6.115 1.00 0.00 C ATOM 207 OG SER A 13 -14.308 2.120 -7.521 1.00 0.00 O ATOM 0 H SER A 13 -14.099 4.675 -5.069 1.00 0.00 H new ATOM 0 HA SER A 13 -16.316 2.980 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.470 1.894 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.914 0.944 -5.933 1.00 0.00 H new ATOM 0 HG SER A 13 -13.759 1.403 -7.901 1.00 0.00 H new ATOM 213 N GLY A 14 -14.304 2.714 -3.311 1.00 0.00 N ATOM 214 CA GLY A 14 -14.284 2.464 -1.899 1.00 0.00 C ATOM 215 C GLY A 14 -13.008 2.947 -1.292 1.00 0.00 C ATOM 216 O GLY A 14 -12.037 3.185 -2.016 1.00 0.00 O ATOM 0 H GLY A 14 -13.383 2.805 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.129 2.963 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.399 1.396 -1.713 1.00 0.00 H new ATOM 220 N GLU A 15 -13.006 3.081 0.005 1.00 0.00 N ATOM 221 CA GLU A 15 -11.865 3.583 0.743 1.00 0.00 C ATOM 222 C GLU A 15 -10.914 2.432 1.074 1.00 0.00 C ATOM 223 O GLU A 15 -11.351 1.258 1.154 1.00 0.00 O ATOM 224 CB GLU A 15 -12.371 4.278 2.020 1.00 0.00 C ATOM 225 CG GLU A 15 -11.306 4.982 2.829 1.00 0.00 C ATOM 226 CD GLU A 15 -10.514 5.959 1.997 1.00 0.00 C ATOM 227 OE1 GLU A 15 -9.538 5.521 1.363 1.00 0.00 O ATOM 228 OE2 GLU A 15 -10.872 7.153 1.970 1.00 0.00 O ATOM 0 H GLU A 15 -13.804 2.843 0.593 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.313 4.307 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.134 5.005 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.855 3.534 2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.773 5.510 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.631 4.243 3.260 1.00 0.00 H new ATOM 235 N TYR A 16 -9.637 2.737 1.229 1.00 0.00 N ATOM 236 CA TYR A 16 -8.639 1.717 1.535 1.00 0.00 C ATOM 237 C TYR A 16 -7.480 2.324 2.328 1.00 0.00 C ATOM 238 O TYR A 16 -6.459 1.674 2.575 1.00 0.00 O ATOM 239 CB TYR A 16 -8.120 1.120 0.221 1.00 0.00 C ATOM 240 CG TYR A 16 -7.297 -0.137 0.374 1.00 0.00 C ATOM 241 CD1 TYR A 16 -7.896 -1.304 0.783 1.00 0.00 C ATOM 242 CD2 TYR A 16 -5.934 -0.163 0.084 1.00 0.00 C ATOM 243 CE1 TYR A 16 -7.188 -2.461 0.902 1.00 0.00 C ATOM 244 CE2 TYR A 16 -5.210 -1.332 0.209 1.00 0.00 C ATOM 245 CZ TYR A 16 -5.853 -2.478 0.619 1.00 0.00 C ATOM 246 OH TYR A 16 -5.167 -3.666 0.724 1.00 0.00 O ATOM 0 H TYR A 16 -9.263 3.683 1.149 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.095 0.935 2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.972 0.903 -0.424 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.517 1.871 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.951 -1.304 1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.439 0.740 -0.242 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.683 -3.366 1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.153 -1.347 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.226 -3.522 0.490 1.00 0.00 H new ATOM 256 N GLU A 17 -7.699 3.498 2.813 1.00 0.00 N ATOM 257 CA GLU A 17 -6.714 4.266 3.490 1.00 0.00 C ATOM 258 C GLU A 17 -7.444 5.030 4.597 1.00 0.00 C ATOM 259 O GLU A 17 -8.681 5.000 4.675 1.00 0.00 O ATOM 260 CB GLU A 17 -6.142 5.306 2.492 1.00 0.00 C ATOM 261 CG GLU A 17 -5.566 4.766 1.160 1.00 0.00 C ATOM 262 CD GLU A 17 -4.172 4.169 1.253 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.236 4.930 1.586 1.00 0.00 O ATOM 264 OE2 GLU A 17 -3.952 3.002 0.838 1.00 0.00 O ATOM 0 H GLU A 17 -8.603 3.966 2.746 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.915 3.639 3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.933 6.017 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.355 5.863 2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.244 4.006 0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.548 5.579 0.434 1.00 0.00 H new ATOM 271 N ILE A 18 -6.720 5.672 5.473 1.00 0.00 N ATOM 272 CA ILE A 18 -7.361 6.476 6.476 1.00 0.00 C ATOM 273 C ILE A 18 -7.171 7.924 6.080 1.00 0.00 C ATOM 274 O ILE A 18 -6.189 8.241 5.412 1.00 0.00 O ATOM 275 CB ILE A 18 -6.928 6.176 7.964 1.00 0.00 C ATOM 276 CG1 ILE A 18 -7.766 6.998 8.969 1.00 0.00 C ATOM 277 CG2 ILE A 18 -5.447 6.394 8.191 1.00 0.00 C ATOM 278 CD1 ILE A 18 -7.474 6.696 10.425 1.00 0.00 C ATOM 0 H ILE A 18 -5.701 5.655 5.513 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.420 6.217 6.498 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.125 5.118 8.138 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.589 8.058 8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.823 6.814 8.778 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.202 6.174 9.230 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.878 5.734 7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.194 7.431 7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.106 7.317 11.059 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.679 5.645 10.627 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.426 6.909 10.638 1.00 0.00 H new ATOM 290 N HIS A 19 -8.109 8.790 6.450 1.00 0.00 N ATOM 291 CA HIS A 19 -8.095 10.217 6.088 1.00 0.00 C ATOM 292 C HIS A 19 -6.969 10.956 6.816 1.00 0.00 C ATOM 293 O HIS A 19 -7.184 11.726 7.741 1.00 0.00 O ATOM 294 CB HIS A 19 -9.469 10.890 6.354 1.00 0.00 C ATOM 295 CG HIS A 19 -10.651 10.177 5.728 1.00 0.00 C ATOM 296 ND1 HIS A 19 -11.321 10.592 4.590 1.00 0.00 N ATOM 297 CD2 HIS A 19 -11.285 9.047 6.133 1.00 0.00 C ATOM 298 CE1 HIS A 19 -12.306 9.714 4.351 1.00 0.00 C ATOM 299 NE2 HIS A 19 -12.324 8.759 5.264 1.00 0.00 N ATOM 0 H HIS A 19 -8.914 8.524 7.017 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.904 10.281 5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.627 10.951 7.431 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -9.437 11.913 5.978 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -11.104 11.418 4.033 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.019 8.462 7.001 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.994 9.779 3.521 1.00 0.00 H new ATOM 307 N MET A 20 -5.793 10.604 6.431 1.00 0.00 N ATOM 308 CA MET A 20 -4.551 11.119 6.935 1.00 0.00 C ATOM 309 C MET A 20 -3.732 11.721 5.802 1.00 0.00 C ATOM 310 O MET A 20 -4.013 12.830 5.338 1.00 0.00 O ATOM 311 CB MET A 20 -3.783 9.986 7.650 1.00 0.00 C ATOM 312 CG MET A 20 -4.214 9.718 9.080 1.00 0.00 C ATOM 313 SD MET A 20 -3.769 11.050 10.216 1.00 0.00 S ATOM 314 CE MET A 20 -1.970 10.977 10.154 1.00 0.00 C ATOM 0 H MET A 20 -5.655 9.900 5.706 1.00 0.00 H new ATOM 0 HA MET A 20 -4.745 11.913 7.656 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.901 9.068 7.074 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.721 10.230 7.647 1.00 0.00 H new ATOM 0 HG2 MET A 20 -5.294 9.572 9.106 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.758 8.789 9.422 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.555 11.483 11.026 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.648 9.936 10.152 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.617 11.468 9.247 1.00 0.00 H new ATOM 324 N LYS A 21 -2.765 10.980 5.339 1.00 0.00 N ATOM 325 CA LYS A 21 -1.921 11.371 4.235 1.00 0.00 C ATOM 326 C LYS A 21 -1.306 10.112 3.681 1.00 0.00 C ATOM 327 O LYS A 21 -0.712 9.346 4.430 1.00 0.00 O ATOM 328 CB LYS A 21 -0.814 12.305 4.721 1.00 0.00 C ATOM 329 CG LYS A 21 0.085 12.848 3.616 1.00 0.00 C ATOM 330 CD LYS A 21 1.276 13.596 4.191 1.00 0.00 C ATOM 331 CE LYS A 21 0.868 14.804 5.018 1.00 0.00 C ATOM 332 NZ LYS A 21 2.020 15.391 5.720 1.00 0.00 N ATOM 0 H LYS A 21 -2.533 10.065 5.725 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.502 11.896 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.269 13.144 5.247 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.197 11.772 5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.436 12.026 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.489 13.514 2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.861 12.917 4.812 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.923 13.921 3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.415 15.554 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.110 14.510 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.720 16.252 6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.395 14.705 6.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.761 15.631 5.031 1.00 0.00 H new ATOM 346 N ARG A 22 -1.481 9.861 2.416 1.00 0.00 N ATOM 347 CA ARG A 22 -0.924 8.667 1.838 1.00 0.00 C ATOM 348 C ARG A 22 0.233 9.081 0.965 1.00 0.00 C ATOM 349 O ARG A 22 0.171 10.126 0.327 1.00 0.00 O ATOM 350 CB ARG A 22 -1.981 7.894 0.999 1.00 0.00 C ATOM 351 CG ARG A 22 -2.027 8.237 -0.488 1.00 0.00 C ATOM 352 CD ARG A 22 -2.972 7.334 -1.245 1.00 0.00 C ATOM 353 NE ARG A 22 -2.756 5.923 -0.904 1.00 0.00 N ATOM 354 CZ ARG A 22 -2.227 4.973 -1.678 1.00 0.00 C ATOM 355 NH1 ARG A 22 -1.722 5.255 -2.876 1.00 0.00 N ATOM 356 NH2 ARG A 22 -2.210 3.730 -1.253 1.00 0.00 N ATOM 0 H ARG A 22 -1.998 10.457 1.770 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.593 7.996 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.788 6.826 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.966 8.082 1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.338 9.274 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.026 8.152 -0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.002 7.611 -1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.833 7.476 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.043 5.635 0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.734 6.215 -3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.323 4.512 -3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.599 3.498 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.808 2.997 -1.837 1.00 0.00 H new ATOM 370 N ALA A 23 1.276 8.325 0.964 1.00 0.00 N ATOM 371 CA ALA A 23 2.391 8.610 0.118 1.00 0.00 C ATOM 372 C ALA A 23 2.553 7.462 -0.819 1.00 0.00 C ATOM 373 O ALA A 23 3.193 6.503 -0.504 1.00 0.00 O ATOM 374 CB ALA A 23 3.657 8.843 0.927 1.00 0.00 C ATOM 0 H ALA A 23 1.384 7.494 1.546 1.00 0.00 H new ATOM 0 HA ALA A 23 2.210 9.529 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.486 9.057 0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.509 9.688 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.885 7.951 1.510 1.00 0.00 H new ATOM 380 N GLY A 24 1.921 7.528 -1.947 1.00 0.00 N ATOM 381 CA GLY A 24 1.995 6.421 -2.856 1.00 0.00 C ATOM 382 C GLY A 24 2.834 6.718 -4.037 1.00 0.00 C ATOM 383 O GLY A 24 2.302 6.954 -5.107 1.00 0.00 O ATOM 0 H GLY A 24 1.357 8.318 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.399 5.553 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.990 6.156 -3.185 1.00 0.00 H new ATOM 387 N PHE A 25 4.155 6.707 -3.868 1.00 0.00 N ATOM 388 CA PHE A 25 5.033 7.011 -4.981 1.00 0.00 C ATOM 389 C PHE A 25 4.999 5.884 -5.993 1.00 0.00 C ATOM 390 O PHE A 25 4.334 5.973 -6.999 1.00 0.00 O ATOM 391 CB PHE A 25 6.470 7.300 -4.519 1.00 0.00 C ATOM 392 CG PHE A 25 6.607 8.516 -3.638 1.00 0.00 C ATOM 393 CD1 PHE A 25 6.485 8.419 -2.263 1.00 0.00 C ATOM 394 CD2 PHE A 25 6.867 9.753 -4.190 1.00 0.00 C ATOM 395 CE1 PHE A 25 6.619 9.530 -1.462 1.00 0.00 C ATOM 396 CE2 PHE A 25 7.002 10.869 -3.392 1.00 0.00 C ATOM 397 CZ PHE A 25 6.878 10.757 -2.025 1.00 0.00 C ATOM 0 H PHE A 25 4.627 6.495 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 25 4.668 7.921 -5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.847 6.431 -3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.102 7.429 -5.397 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.282 7.459 -1.813 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.966 9.849 -5.261 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.521 9.438 -0.390 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.205 11.831 -3.839 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.984 11.630 -1.398 1.00 0.00 H new ATOM 407 N ARG A 26 5.640 4.793 -5.678 1.00 0.00 N ATOM 408 CA ARG A 26 5.676 3.666 -6.598 1.00 0.00 C ATOM 409 C ARG A 26 4.410 2.846 -6.514 1.00 0.00 C ATOM 410 O ARG A 26 3.935 2.336 -7.527 1.00 0.00 O ATOM 411 CB ARG A 26 6.860 2.793 -6.327 1.00 0.00 C ATOM 412 CG ARG A 26 8.195 3.467 -6.512 1.00 0.00 C ATOM 413 CD ARG A 26 8.490 3.740 -7.971 1.00 0.00 C ATOM 414 NE ARG A 26 9.777 4.405 -8.139 1.00 0.00 N ATOM 415 CZ ARG A 26 10.519 4.386 -9.245 1.00 0.00 C ATOM 416 NH1 ARG A 26 10.152 3.645 -10.290 1.00 0.00 N ATOM 417 NH2 ARG A 26 11.642 5.082 -9.294 1.00 0.00 N ATOM 0 H ARG A 26 6.143 4.650 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 26 5.759 4.074 -7.605 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.794 2.422 -5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.812 1.925 -6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.209 4.405 -5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.981 2.838 -6.094 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.489 2.802 -8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.700 4.361 -8.393 1.00 0.00 H new ATOM 0 HE ARG A 26 10.140 4.929 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.299 3.088 -10.246 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.725 3.635 -11.134 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.937 5.631 -8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.213 5.070 -10.139 1.00 0.00 H new ATOM 431 N GLU A 27 3.809 2.765 -5.306 1.00 0.00 N ATOM 432 CA GLU A 27 2.591 1.974 -5.130 1.00 0.00 C ATOM 433 C GLU A 27 1.448 2.609 -5.920 1.00 0.00 C ATOM 434 O GLU A 27 0.433 1.994 -6.139 1.00 0.00 O ATOM 435 CB GLU A 27 2.296 1.803 -3.634 1.00 0.00 C ATOM 436 CG GLU A 27 1.193 0.824 -3.200 1.00 0.00 C ATOM 437 CD GLU A 27 -0.219 1.333 -3.374 1.00 0.00 C ATOM 438 OE1 GLU A 27 -0.565 2.390 -2.838 1.00 0.00 O ATOM 439 OE2 GLU A 27 -1.012 0.657 -4.013 1.00 0.00 O ATOM 0 H GLU A 27 4.145 3.229 -4.462 1.00 0.00 H new ATOM 0 HA GLU A 27 2.719 0.969 -5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.222 1.492 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.041 2.785 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.303 -0.099 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.345 0.571 -2.151 1.00 0.00 H new ATOM 446 N CYS A 28 1.655 3.849 -6.377 1.00 0.00 N ATOM 447 CA CYS A 28 0.667 4.527 -7.228 1.00 0.00 C ATOM 448 C CYS A 28 0.217 3.598 -8.422 1.00 0.00 C ATOM 449 O CYS A 28 -0.974 3.558 -8.807 1.00 0.00 O ATOM 450 CB CYS A 28 1.232 5.859 -7.769 1.00 0.00 C ATOM 451 SG CYS A 28 0.203 6.673 -9.001 1.00 0.00 S ATOM 0 H CYS A 28 2.489 4.400 -6.175 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.208 4.745 -6.615 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.379 6.541 -6.932 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.214 5.671 -8.204 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.153 7.844 -8.563 1.00 0.00 H new ATOM 457 N ALA A 29 1.155 2.834 -8.968 1.00 0.00 N ATOM 458 CA ALA A 29 0.836 1.912 -10.043 1.00 0.00 C ATOM 459 C ALA A 29 0.058 0.733 -9.513 1.00 0.00 C ATOM 460 O ALA A 29 -0.948 0.310 -10.111 1.00 0.00 O ATOM 461 CB ALA A 29 2.081 1.445 -10.756 1.00 0.00 C ATOM 0 H ALA A 29 2.135 2.836 -8.685 1.00 0.00 H new ATOM 0 HA ALA A 29 0.218 2.444 -10.766 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.806 0.756 -11.555 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.601 2.304 -11.180 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.737 0.937 -10.049 1.00 0.00 H new ATOM 467 N ALA A 30 0.503 0.234 -8.375 1.00 0.00 N ATOM 468 CA ALA A 30 -0.103 -0.895 -7.721 1.00 0.00 C ATOM 469 C ALA A 30 -1.540 -0.635 -7.357 1.00 0.00 C ATOM 470 O ALA A 30 -2.377 -1.456 -7.630 1.00 0.00 O ATOM 471 CB ALA A 30 0.667 -1.266 -6.477 1.00 0.00 C ATOM 0 H ALA A 30 1.309 0.612 -7.877 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.076 -1.722 -8.431 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.192 -2.122 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.692 -1.523 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.674 -0.421 -5.788 1.00 0.00 H new ATOM 477 N MET A 31 -1.816 0.521 -6.757 1.00 0.00 N ATOM 478 CA MET A 31 -3.180 0.875 -6.297 1.00 0.00 C ATOM 479 C MET A 31 -4.206 0.744 -7.406 1.00 0.00 C ATOM 480 O MET A 31 -5.313 0.254 -7.183 1.00 0.00 O ATOM 481 CB MET A 31 -3.255 2.288 -5.661 1.00 0.00 C ATOM 482 CG MET A 31 -3.021 3.417 -6.632 1.00 0.00 C ATOM 483 SD MET A 31 -3.183 5.054 -5.920 1.00 0.00 S ATOM 484 CE MET A 31 -2.880 6.025 -7.387 1.00 0.00 C ATOM 0 H MET A 31 -1.117 1.240 -6.572 1.00 0.00 H new ATOM 0 HA MET A 31 -3.421 0.152 -5.517 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.235 2.416 -5.202 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.518 2.353 -4.861 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.021 3.315 -7.054 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.727 3.322 -7.457 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.978 6.621 -7.249 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.750 5.362 -8.242 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.727 6.687 -7.567 1.00 0.00 H new ATOM 494 N ILE A 32 -3.825 1.144 -8.605 1.00 0.00 N ATOM 495 CA ILE A 32 -4.709 1.050 -9.753 1.00 0.00 C ATOM 496 C ILE A 32 -5.065 -0.424 -10.029 1.00 0.00 C ATOM 497 O ILE A 32 -6.233 -0.779 -10.226 1.00 0.00 O ATOM 498 CB ILE A 32 -4.046 1.699 -11.002 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.734 3.189 -10.746 1.00 0.00 C ATOM 500 CG2 ILE A 32 -4.904 1.535 -12.256 1.00 0.00 C ATOM 501 CD1 ILE A 32 -4.946 4.049 -10.415 1.00 0.00 C ATOM 0 H ILE A 32 -2.907 1.538 -8.810 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.629 1.593 -9.534 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.108 1.173 -11.179 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.021 3.260 -9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.245 3.600 -11.629 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.403 2.003 -13.103 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.050 0.474 -12.461 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.872 2.011 -12.099 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.628 5.079 -10.252 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.653 4.015 -11.244 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.426 3.670 -9.513 1.00 0.00 H new ATOM 513 N GLU A 33 -4.076 -1.271 -9.955 1.00 0.00 N ATOM 514 CA GLU A 33 -4.232 -2.687 -10.228 1.00 0.00 C ATOM 515 C GLU A 33 -4.842 -3.437 -9.029 1.00 0.00 C ATOM 516 O GLU A 33 -5.563 -4.427 -9.191 1.00 0.00 O ATOM 517 CB GLU A 33 -2.882 -3.268 -10.625 1.00 0.00 C ATOM 518 CG GLU A 33 -2.371 -2.755 -11.955 1.00 0.00 C ATOM 519 CD GLU A 33 -3.263 -3.193 -13.086 1.00 0.00 C ATOM 520 OE1 GLU A 33 -3.054 -4.298 -13.624 1.00 0.00 O ATOM 521 OE2 GLU A 33 -4.205 -2.458 -13.447 1.00 0.00 O ATOM 0 H GLU A 33 -3.125 -1.002 -9.701 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.932 -2.813 -11.054 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.152 -3.034 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.962 -4.354 -10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.317 -1.667 -11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.358 -3.121 -12.124 1.00 0.00 H new ATOM 528 N LYS A 34 -4.589 -2.925 -7.841 1.00 0.00 N ATOM 529 CA LYS A 34 -5.076 -3.496 -6.584 1.00 0.00 C ATOM 530 C LYS A 34 -6.575 -3.450 -6.489 1.00 0.00 C ATOM 531 O LYS A 34 -7.176 -4.220 -5.749 1.00 0.00 O ATOM 532 CB LYS A 34 -4.494 -2.732 -5.424 1.00 0.00 C ATOM 533 CG LYS A 34 -3.113 -3.173 -4.987 1.00 0.00 C ATOM 534 CD LYS A 34 -2.425 -2.100 -4.146 1.00 0.00 C ATOM 535 CE LYS A 34 -3.393 -1.388 -3.172 1.00 0.00 C ATOM 536 NZ LYS A 34 -2.724 -0.332 -2.377 1.00 0.00 N ATOM 0 H LYS A 34 -4.028 -2.083 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.763 -4.540 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.453 -1.676 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.172 -2.821 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.189 -4.095 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.506 -3.395 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.614 -2.555 -3.577 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.974 -1.361 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.213 -0.947 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.831 -2.124 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.419 0.125 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.969 -0.757 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.314 0.378 -3.017 1.00 0.00 H new ATOM 550 N LYS A 35 -7.164 -2.548 -7.233 1.00 0.00 N ATOM 551 CA LYS A 35 -8.593 -2.381 -7.255 1.00 0.00 C ATOM 552 C LYS A 35 -9.273 -3.609 -7.883 1.00 0.00 C ATOM 553 O LYS A 35 -10.411 -3.949 -7.547 1.00 0.00 O ATOM 554 CB LYS A 35 -8.938 -1.138 -8.064 1.00 0.00 C ATOM 555 CG LYS A 35 -10.427 -0.855 -8.173 1.00 0.00 C ATOM 556 CD LYS A 35 -10.715 0.301 -9.106 1.00 0.00 C ATOM 557 CE LYS A 35 -10.285 -0.001 -10.536 1.00 0.00 C ATOM 558 NZ LYS A 35 -10.522 1.140 -11.431 1.00 0.00 N ATOM 0 H LYS A 35 -6.661 -1.905 -7.844 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.952 -2.272 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.449 -0.276 -7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.526 -1.246 -9.067 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.941 -1.747 -8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.827 -0.632 -7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.782 0.525 -9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.196 1.191 -8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.226 -0.260 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.830 -0.870 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.216 0.895 -12.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.536 1.371 -11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.982 1.963 -11.095 1.00 0.00 H new ATOM 572 N ALA A 36 -8.544 -4.297 -8.747 1.00 0.00 N ATOM 573 CA ALA A 36 -9.084 -5.421 -9.456 1.00 0.00 C ATOM 574 C ALA A 36 -9.219 -6.627 -8.545 1.00 0.00 C ATOM 575 O ALA A 36 -10.322 -7.133 -8.316 1.00 0.00 O ATOM 576 CB ALA A 36 -8.234 -5.743 -10.677 1.00 0.00 C ATOM 0 H ALA A 36 -7.571 -4.086 -8.968 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.084 -5.158 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.660 -6.598 -11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.214 -4.881 -11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.218 -5.980 -10.361 1.00 0.00 H new ATOM 582 N ARG A 37 -8.116 -7.062 -7.994 1.00 0.00 N ATOM 583 CA ARG A 37 -8.101 -8.230 -7.130 1.00 0.00 C ATOM 584 C ARG A 37 -7.137 -8.010 -5.974 1.00 0.00 C ATOM 585 O ARG A 37 -7.514 -7.657 -4.857 1.00 0.00 O ATOM 586 CB ARG A 37 -7.649 -9.490 -7.919 1.00 0.00 C ATOM 587 CG ARG A 37 -8.597 -9.996 -8.996 1.00 0.00 C ATOM 588 CD ARG A 37 -7.957 -11.137 -9.790 1.00 0.00 C ATOM 589 NE ARG A 37 -7.530 -12.264 -8.931 1.00 0.00 N ATOM 590 CZ ARG A 37 -6.785 -13.309 -9.352 1.00 0.00 C ATOM 591 NH1 ARG A 37 -6.463 -13.428 -10.635 1.00 0.00 N ATOM 592 NH2 ARG A 37 -6.384 -14.233 -8.482 1.00 0.00 N ATOM 0 H ARG A 37 -7.204 -6.625 -8.126 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.112 -8.382 -6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.688 -9.273 -8.386 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.482 -10.297 -7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.524 -10.341 -8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.858 -9.180 -9.670 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.668 -11.501 -10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.094 -10.755 -10.336 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.818 -12.251 -7.953 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.778 -12.729 -11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.900 -14.219 -10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.639 -14.152 -7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.821 -15.022 -8.799 1.00 0.00 H new ATOM 606 N ARG A 38 -5.899 -8.189 -6.294 1.00 0.00 N ATOM 607 CA ARG A 38 -4.785 -8.089 -5.426 1.00 0.00 C ATOM 608 C ARG A 38 -3.585 -8.148 -6.312 1.00 0.00 C ATOM 609 O ARG A 38 -3.450 -9.069 -7.126 1.00 0.00 O ATOM 610 CB ARG A 38 -4.780 -9.209 -4.372 1.00 0.00 C ATOM 611 CG ARG A 38 -4.730 -10.638 -4.878 1.00 0.00 C ATOM 612 CD ARG A 38 -4.742 -11.591 -3.700 1.00 0.00 C ATOM 613 NE ARG A 38 -5.989 -11.498 -2.924 1.00 0.00 N ATOM 614 CZ ARG A 38 -6.079 -11.537 -1.586 1.00 0.00 C ATOM 615 NH1 ARG A 38 -4.978 -11.669 -0.837 1.00 0.00 N ATOM 616 NH2 ARG A 38 -7.274 -11.445 -1.006 1.00 0.00 N ATOM 0 H ARG A 38 -5.624 -8.428 -7.247 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.807 -7.164 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.923 -9.053 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.674 -9.099 -3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.583 -10.835 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.831 -10.792 -5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.615 -12.612 -4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.894 -11.374 -3.050 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.858 -11.395 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.063 -11.741 -1.283 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.053 -11.698 0.180 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.112 -11.346 -1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.351 -11.474 0.011 1.00 0.00 H new ATOM 630 N VAL A 39 -2.766 -7.163 -6.240 1.00 0.00 N ATOM 631 CA VAL A 39 -1.635 -7.102 -7.115 1.00 0.00 C ATOM 632 C VAL A 39 -0.377 -6.772 -6.370 1.00 0.00 C ATOM 633 O VAL A 39 -0.402 -6.022 -5.379 1.00 0.00 O ATOM 634 CB VAL A 39 -1.896 -6.098 -8.292 1.00 0.00 C ATOM 635 CG1 VAL A 39 -0.656 -5.868 -9.159 1.00 0.00 C ATOM 636 CG2 VAL A 39 -3.040 -6.615 -9.161 1.00 0.00 C ATOM 0 H VAL A 39 -2.851 -6.384 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.493 -8.092 -7.549 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.159 -5.139 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.895 -5.165 -9.957 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.147 -5.460 -8.545 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.335 -6.815 -9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.220 -5.917 -9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.775 -7.590 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.943 -6.708 -8.557 1.00 0.00 H new ATOM 646 N VAL A 40 0.691 -7.389 -6.811 1.00 0.00 N ATOM 647 CA VAL A 40 1.989 -7.169 -6.273 1.00 0.00 C ATOM 648 C VAL A 40 2.726 -6.176 -7.156 1.00 0.00 C ATOM 649 O VAL A 40 2.606 -6.214 -8.387 1.00 0.00 O ATOM 650 CB VAL A 40 2.801 -8.505 -6.115 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.900 -9.263 -7.433 1.00 0.00 C ATOM 652 CG2 VAL A 40 4.198 -8.251 -5.542 1.00 0.00 C ATOM 0 H VAL A 40 0.670 -8.070 -7.570 1.00 0.00 H new ATOM 0 HA VAL A 40 1.885 -6.758 -5.269 1.00 0.00 H new ATOM 0 HB VAL A 40 2.250 -9.125 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.469 -10.181 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.899 -9.510 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.403 -8.641 -8.173 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.730 -9.198 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.750 -7.590 -6.210 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.110 -7.784 -4.561 1.00 0.00 H new ATOM 662 N HIS A 41 3.444 -5.278 -6.549 1.00 0.00 N ATOM 663 CA HIS A 41 4.167 -4.307 -7.281 1.00 0.00 C ATOM 664 C HIS A 41 5.617 -4.412 -6.885 1.00 0.00 C ATOM 665 O HIS A 41 5.944 -4.410 -5.688 1.00 0.00 O ATOM 666 CB HIS A 41 3.574 -2.909 -7.017 1.00 0.00 C ATOM 667 CG HIS A 41 4.154 -1.782 -7.839 1.00 0.00 C ATOM 668 ND1 HIS A 41 3.756 -1.464 -9.132 1.00 0.00 N ATOM 669 CD2 HIS A 41 5.149 -0.919 -7.541 1.00 0.00 C ATOM 670 CE1 HIS A 41 4.538 -0.467 -9.556 1.00 0.00 C ATOM 671 NE2 HIS A 41 5.392 -0.102 -8.630 1.00 0.00 N ATOM 0 H HIS A 41 3.538 -5.206 -5.536 1.00 0.00 H new ATOM 0 HA HIS A 41 4.092 -4.477 -8.355 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.500 -2.951 -7.199 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.710 -2.671 -5.962 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.674 -0.874 -6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.475 -0.019 -10.537 1.00 0.00 H new ATOM 0 HE2 HIS A 41 6.093 0.635 -8.699 1.00 0.00 H new ATOM 679 N ILE A 42 6.462 -4.592 -7.865 1.00 0.00 N ATOM 680 CA ILE A 42 7.873 -4.691 -7.637 1.00 0.00 C ATOM 681 C ILE A 42 8.450 -3.286 -7.608 1.00 0.00 C ATOM 682 O ILE A 42 8.072 -2.442 -8.426 1.00 0.00 O ATOM 683 CB ILE A 42 8.587 -5.596 -8.696 1.00 0.00 C ATOM 684 CG1 ILE A 42 10.095 -5.676 -8.411 1.00 0.00 C ATOM 685 CG2 ILE A 42 8.308 -5.128 -10.131 1.00 0.00 C ATOM 686 CD1 ILE A 42 10.865 -6.566 -9.352 1.00 0.00 C ATOM 0 H ILE A 42 6.188 -4.674 -8.844 1.00 0.00 H new ATOM 0 HA ILE A 42 8.048 -5.179 -6.678 1.00 0.00 H new ATOM 0 HB ILE A 42 8.172 -6.600 -8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.514 -4.671 -8.458 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.240 -6.035 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.822 -5.783 -10.834 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.235 -5.161 -10.322 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.668 -4.107 -10.257 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.919 -6.562 -9.076 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.478 -7.583 -9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.756 -6.198 -10.372 1.00 0.00 H new ATOM 698 N LYS A 43 9.331 -3.044 -6.653 1.00 0.00 N ATOM 699 CA LYS A 43 9.934 -1.727 -6.418 1.00 0.00 C ATOM 700 C LYS A 43 8.893 -0.734 -5.904 1.00 0.00 C ATOM 701 O LYS A 43 8.629 0.269 -6.552 1.00 0.00 O ATOM 702 CB LYS A 43 10.669 -1.115 -7.634 1.00 0.00 C ATOM 703 CG LYS A 43 11.909 -1.837 -8.089 1.00 0.00 C ATOM 704 CD LYS A 43 12.629 -1.029 -9.150 1.00 0.00 C ATOM 705 CE LYS A 43 13.909 -1.701 -9.583 1.00 0.00 C ATOM 706 NZ LYS A 43 14.673 -0.869 -10.531 1.00 0.00 N ATOM 0 H LYS A 43 9.658 -3.761 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 43 10.698 -1.910 -5.663 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.971 -1.071 -8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.940 -0.088 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.571 -2.007 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.643 -2.816 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.977 -0.896 -10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.852 -0.035 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.523 -1.911 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.677 -2.660 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.545 -1.366 -10.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.097 -0.690 -11.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.917 0.036 -10.080 1.00 0.00 H new ATOM 720 N PRO A 44 8.231 -1.027 -4.763 1.00 0.00 N ATOM 721 CA PRO A 44 7.277 -0.120 -4.192 1.00 0.00 C ATOM 722 C PRO A 44 8.002 1.018 -3.444 1.00 0.00 C ATOM 723 O PRO A 44 9.140 0.842 -2.981 1.00 0.00 O ATOM 724 CB PRO A 44 6.459 -0.991 -3.233 1.00 0.00 C ATOM 725 CG PRO A 44 7.047 -2.349 -3.274 1.00 0.00 C ATOM 726 CD PRO A 44 8.346 -2.249 -3.969 1.00 0.00 C ATOM 0 HA PRO A 44 6.648 0.365 -4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.492 -0.587 -2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.411 -1.015 -3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.181 -2.739 -2.265 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.384 -3.038 -3.797 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.173 -2.189 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.529 -3.119 -4.600 1.00 0.00 H new ATOM 734 N GLY A 45 7.350 2.152 -3.290 1.00 0.00 N ATOM 735 CA GLY A 45 7.995 3.296 -2.654 1.00 0.00 C ATOM 736 C GLY A 45 6.993 4.170 -2.017 1.00 0.00 C ATOM 737 O GLY A 45 7.039 5.375 -2.129 1.00 0.00 O ATOM 0 H GLY A 45 6.388 2.312 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.709 2.949 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.559 3.861 -3.396 1.00 0.00 H new ATOM 741 N GLU A 46 6.048 3.553 -1.443 1.00 0.00 N ATOM 742 CA GLU A 46 4.975 4.204 -0.799 1.00 0.00 C ATOM 743 C GLU A 46 5.105 4.131 0.721 1.00 0.00 C ATOM 744 O GLU A 46 6.016 3.503 1.269 1.00 0.00 O ATOM 745 CB GLU A 46 3.684 3.488 -1.220 1.00 0.00 C ATOM 746 CG GLU A 46 3.404 2.140 -0.497 1.00 0.00 C ATOM 747 CD GLU A 46 4.510 1.139 -0.702 1.00 0.00 C ATOM 748 OE1 GLU A 46 5.064 1.109 -1.810 1.00 0.00 O ATOM 749 OE2 GLU A 46 4.917 0.466 0.262 1.00 0.00 O ATOM 0 H GLU A 46 5.991 2.535 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 46 4.970 5.256 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.843 4.158 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.724 3.304 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.276 2.323 0.570 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.466 1.722 -0.864 1.00 0.00 H new ATOM 756 N LYS A 47 4.188 4.794 1.351 1.00 0.00 N ATOM 757 CA LYS A 47 4.009 4.822 2.750 1.00 0.00 C ATOM 758 C LYS A 47 2.584 5.213 2.950 1.00 0.00 C ATOM 759 O LYS A 47 2.201 6.366 2.757 1.00 0.00 O ATOM 760 CB LYS A 47 4.931 5.796 3.447 1.00 0.00 C ATOM 761 CG LYS A 47 5.726 5.152 4.562 1.00 0.00 C ATOM 762 CD LYS A 47 4.837 4.511 5.626 1.00 0.00 C ATOM 763 CE LYS A 47 5.677 3.759 6.658 1.00 0.00 C ATOM 764 NZ LYS A 47 4.872 2.906 7.564 1.00 0.00 N ATOM 0 H LYS A 47 3.502 5.366 0.858 1.00 0.00 H new ATOM 0 HA LYS A 47 4.248 3.851 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.618 6.225 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.343 6.619 3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.386 4.394 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.362 5.903 5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.246 5.280 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.134 3.825 5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.406 3.137 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.238 4.479 7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.484 2.519 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.116 3.475 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.450 2.125 7.022 1.00 0.00 H new ATOM 778 N ILE A 48 1.787 4.268 3.257 1.00 0.00 N ATOM 779 CA ILE A 48 0.403 4.520 3.392 1.00 0.00 C ATOM 780 C ILE A 48 0.005 4.853 4.813 1.00 0.00 C ATOM 781 O ILE A 48 0.074 4.012 5.716 1.00 0.00 O ATOM 782 CB ILE A 48 -0.459 3.384 2.776 1.00 0.00 C ATOM 783 CG1 ILE A 48 -0.157 2.014 3.420 1.00 0.00 C ATOM 784 CG2 ILE A 48 -0.212 3.326 1.272 1.00 0.00 C ATOM 785 CD1 ILE A 48 -0.993 0.875 2.870 1.00 0.00 C ATOM 0 H ILE A 48 2.069 3.302 3.422 1.00 0.00 H new ATOM 0 HA ILE A 48 0.193 5.417 2.810 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.507 3.607 2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.898 1.780 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.322 2.085 4.495 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.815 2.530 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.487 4.279 0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.843 3.127 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.721 -0.052 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.049 1.084 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.811 0.774 1.800 1.00 0.00 H new ATOM 797 N LEU A 49 -0.269 6.148 5.002 1.00 0.00 N ATOM 798 CA LEU A 49 -0.772 6.794 6.249 1.00 0.00 C ATOM 799 C LEU A 49 0.172 6.685 7.442 1.00 0.00 C ATOM 800 O LEU A 49 -0.119 7.200 8.522 1.00 0.00 O ATOM 801 CB LEU A 49 -2.163 6.246 6.674 1.00 0.00 C ATOM 802 CG LEU A 49 -3.268 6.111 5.601 1.00 0.00 C ATOM 803 CD1 LEU A 49 -3.234 7.214 4.584 1.00 0.00 C ATOM 804 CD2 LEU A 49 -3.297 4.725 4.972 1.00 0.00 C ATOM 0 H LEU A 49 -0.142 6.826 4.251 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.847 7.847 5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.009 5.261 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.546 6.893 7.463 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.217 6.227 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.033 7.064 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.372 8.173 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.272 7.207 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.090 4.681 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.338 4.521 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.484 3.979 5.744 1.00 0.00 H new ATOM 816 N GLY A 50 1.271 6.032 7.262 1.00 0.00 N ATOM 817 CA GLY A 50 2.185 5.805 8.341 1.00 0.00 C ATOM 818 C GLY A 50 1.938 4.421 8.893 1.00 0.00 C ATOM 819 O GLY A 50 2.866 3.685 9.189 1.00 0.00 O ATOM 0 H GLY A 50 1.564 5.640 6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.214 5.896 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.045 6.554 9.120 1.00 0.00 H new ATOM 823 N ALA A 51 0.672 4.067 8.953 1.00 0.00 N ATOM 824 CA ALA A 51 0.194 2.783 9.397 1.00 0.00 C ATOM 825 C ALA A 51 -0.915 2.382 8.446 1.00 0.00 C ATOM 826 O ALA A 51 -1.710 3.233 8.044 1.00 0.00 O ATOM 827 CB ALA A 51 -0.335 2.874 10.821 1.00 0.00 C ATOM 0 H ALA A 51 -0.082 4.697 8.681 1.00 0.00 H new ATOM 0 HA ALA A 51 0.997 2.046 9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.692 1.895 11.140 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.464 3.203 11.486 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.156 3.590 10.859 1.00 0.00 H new ATOM 833 N ARG A 52 -0.972 1.124 8.073 1.00 0.00 N ATOM 834 CA ARG A 52 -1.970 0.671 7.115 1.00 0.00 C ATOM 835 C ARG A 52 -3.354 0.549 7.740 1.00 0.00 C ATOM 836 O ARG A 52 -3.631 -0.391 8.495 1.00 0.00 O ATOM 837 CB ARG A 52 -1.568 -0.665 6.486 1.00 0.00 C ATOM 838 CG ARG A 52 -2.576 -1.198 5.476 1.00 0.00 C ATOM 839 CD ARG A 52 -2.190 -2.579 4.994 1.00 0.00 C ATOM 840 NE ARG A 52 -3.181 -3.130 4.052 1.00 0.00 N ATOM 841 CZ ARG A 52 -3.678 -4.379 4.116 1.00 0.00 C ATOM 842 NH1 ARG A 52 -3.307 -5.201 5.094 1.00 0.00 N ATOM 843 NH2 ARG A 52 -4.537 -4.801 3.194 1.00 0.00 N ATOM 0 H ARG A 52 -0.345 0.395 8.413 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.017 1.432 6.336 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.602 -0.548 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.436 -1.403 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.566 -1.232 5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.638 -0.518 4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.214 -2.535 4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.091 -3.248 5.849 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.512 -2.524 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.642 -4.886 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.687 -6.147 5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.820 -4.178 2.437 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.913 -5.748 3.243 1.00 0.00 H new ATOM 857 N ILE A 53 -4.201 1.496 7.445 1.00 0.00 N ATOM 858 CA ILE A 53 -5.554 1.482 7.906 1.00 0.00 C ATOM 859 C ILE A 53 -6.415 1.584 6.685 1.00 0.00 C ATOM 860 O ILE A 53 -6.293 2.531 5.950 1.00 0.00 O ATOM 861 CB ILE A 53 -5.867 2.678 8.842 1.00 0.00 C ATOM 862 CG1 ILE A 53 -4.856 2.722 10.010 1.00 0.00 C ATOM 863 CG2 ILE A 53 -7.309 2.571 9.368 1.00 0.00 C ATOM 864 CD1 ILE A 53 -5.060 3.858 10.993 1.00 0.00 C ATOM 0 H ILE A 53 -3.965 2.306 6.872 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.736 0.572 8.478 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.774 3.606 8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.910 1.778 10.553 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.850 2.795 9.597 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.520 3.415 10.025 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.004 2.581 8.529 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.425 1.641 9.924 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.302 3.803 11.775 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.974 4.811 10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.050 3.778 11.441 1.00 0.00 H new ATOM 876 N ILE A 54 -7.232 0.593 6.465 1.00 0.00 N ATOM 877 CA ILE A 54 -8.103 0.548 5.304 1.00 0.00 C ATOM 878 C ILE A 54 -9.309 1.459 5.515 1.00 0.00 C ATOM 879 O ILE A 54 -9.863 2.009 4.585 1.00 0.00 O ATOM 880 CB ILE A 54 -8.575 -0.921 5.058 1.00 0.00 C ATOM 881 CG1 ILE A 54 -7.349 -1.837 4.847 1.00 0.00 C ATOM 882 CG2 ILE A 54 -9.537 -1.019 3.878 1.00 0.00 C ATOM 883 CD1 ILE A 54 -7.676 -3.301 4.616 1.00 0.00 C ATOM 0 H ILE A 54 -7.320 -0.214 7.083 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.552 0.897 4.431 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.121 -1.253 5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.781 -1.468 3.993 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.701 -1.758 5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.841 -2.057 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.417 -0.406 4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.042 -0.664 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.752 -3.863 4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.215 -3.694 5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.296 -3.399 3.725 1.00 0.00 H new ATOM 895 N GLY A 55 -9.745 1.564 6.745 1.00 0.00 N ATOM 896 CA GLY A 55 -10.884 2.406 7.047 1.00 0.00 C ATOM 897 C GLY A 55 -12.160 1.607 6.980 1.00 0.00 C ATOM 898 O GLY A 55 -13.163 1.931 7.626 1.00 0.00 O ATOM 0 H GLY A 55 -9.337 1.085 7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.771 2.840 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.929 3.235 6.341 1.00 0.00 H new ATOM 902 N ILE A 56 -12.114 0.565 6.209 1.00 0.00 N ATOM 903 CA ILE A 56 -13.204 -0.346 6.051 1.00 0.00 C ATOM 904 C ILE A 56 -12.864 -1.553 6.906 1.00 0.00 C ATOM 905 O ILE A 56 -11.716 -1.995 6.862 1.00 0.00 O ATOM 906 CB ILE A 56 -13.331 -0.801 4.561 1.00 0.00 C ATOM 907 CG1 ILE A 56 -13.497 0.405 3.612 1.00 0.00 C ATOM 908 CG2 ILE A 56 -14.475 -1.794 4.377 1.00 0.00 C ATOM 909 CD1 ILE A 56 -14.723 1.261 3.876 1.00 0.00 C ATOM 0 H ILE A 56 -11.293 0.318 5.656 1.00 0.00 H new ATOM 0 HA ILE A 56 -14.145 0.121 6.341 1.00 0.00 H new ATOM 0 HB ILE A 56 -12.401 -1.306 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.610 1.033 3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -13.541 0.039 2.586 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -14.535 -2.090 3.330 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.295 -2.675 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -15.413 -1.328 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -14.754 2.083 3.160 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -15.621 0.653 3.770 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -14.675 1.663 4.888 1.00 0.00 H new ATOM 921 N PRO A 57 -13.794 -2.040 7.751 1.00 0.00 N ATOM 922 CA PRO A 57 -13.567 -3.234 8.588 1.00 0.00 C ATOM 923 C PRO A 57 -13.239 -4.464 7.729 1.00 0.00 C ATOM 924 O PRO A 57 -14.085 -4.940 6.950 1.00 0.00 O ATOM 925 CB PRO A 57 -14.906 -3.433 9.303 1.00 0.00 C ATOM 926 CG PRO A 57 -15.549 -2.096 9.275 1.00 0.00 C ATOM 927 CD PRO A 57 -15.131 -1.472 7.981 1.00 0.00 C ATOM 0 HA PRO A 57 -12.725 -3.108 9.269 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.519 -4.178 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.761 -3.782 10.326 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.634 -2.182 9.336 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.229 -1.490 10.123 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.819 -1.721 7.173 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -15.100 -0.385 8.050 1.00 0.00 H new ATOM 935 N PRO A 58 -11.993 -4.946 7.781 1.00 0.00 N ATOM 936 CA PRO A 58 -11.564 -6.070 7.012 1.00 0.00 C ATOM 937 C PRO A 58 -11.284 -7.309 7.871 1.00 0.00 C ATOM 938 O PRO A 58 -11.489 -7.320 9.091 1.00 0.00 O ATOM 939 CB PRO A 58 -10.242 -5.530 6.472 1.00 0.00 C ATOM 940 CG PRO A 58 -9.679 -4.719 7.625 1.00 0.00 C ATOM 941 CD PRO A 58 -10.854 -4.385 8.535 1.00 0.00 C ATOM 0 HA PRO A 58 -12.301 -6.398 6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.568 -6.337 6.185 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.395 -4.913 5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.920 -5.286 8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.199 -3.810 7.262 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.751 -4.842 9.519 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.957 -3.311 8.691 1.00 0.00 H new ATOM 949 N VAL A 59 -10.834 -8.338 7.219 1.00 0.00 N ATOM 950 CA VAL A 59 -10.437 -9.554 7.878 1.00 0.00 C ATOM 951 C VAL A 59 -8.967 -9.352 8.258 1.00 0.00 C ATOM 952 O VAL A 59 -8.151 -9.080 7.398 1.00 0.00 O ATOM 953 CB VAL A 59 -10.599 -10.781 6.937 1.00 0.00 C ATOM 954 CG1 VAL A 59 -10.188 -12.066 7.634 1.00 0.00 C ATOM 955 CG2 VAL A 59 -12.036 -10.888 6.452 1.00 0.00 C ATOM 0 H VAL A 59 -10.730 -8.361 6.205 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.058 -9.755 8.751 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.943 -10.634 6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.312 -12.906 6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.144 -11.997 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.813 -12.218 8.514 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.135 -11.751 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.701 -11.006 7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.304 -9.983 5.906 1.00 0.00 H new ATOM 965 N PRO A 60 -8.624 -9.435 9.537 1.00 0.00 N ATOM 966 CA PRO A 60 -7.277 -9.091 10.033 1.00 0.00 C ATOM 967 C PRO A 60 -6.222 -10.199 9.858 1.00 0.00 C ATOM 968 O PRO A 60 -5.348 -10.374 10.717 1.00 0.00 O ATOM 969 CB PRO A 60 -7.543 -8.849 11.513 1.00 0.00 C ATOM 970 CG PRO A 60 -8.646 -9.787 11.854 1.00 0.00 C ATOM 971 CD PRO A 60 -9.512 -9.878 10.632 1.00 0.00 C ATOM 0 HA PRO A 60 -6.852 -8.252 9.481 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.655 -9.047 12.113 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.830 -7.814 11.700 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.253 -10.767 12.127 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.216 -9.423 12.709 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.870 -10.895 10.470 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.392 -9.240 10.717 1.00 0.00 H new ATOM 979 N ILE A 61 -6.236 -10.882 8.745 1.00 0.00 N ATOM 980 CA ILE A 61 -5.279 -11.944 8.532 1.00 0.00 C ATOM 981 C ILE A 61 -4.248 -11.444 7.532 1.00 0.00 C ATOM 982 O ILE A 61 -4.576 -10.642 6.666 1.00 0.00 O ATOM 983 CB ILE A 61 -5.988 -13.233 8.009 1.00 0.00 C ATOM 984 CG1 ILE A 61 -7.067 -13.674 9.007 1.00 0.00 C ATOM 985 CG2 ILE A 61 -4.983 -14.372 7.789 1.00 0.00 C ATOM 986 CD1 ILE A 61 -7.900 -14.850 8.542 1.00 0.00 C ATOM 0 H ILE A 61 -6.890 -10.728 7.977 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.792 -12.208 9.471 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.450 -13.001 7.050 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.588 -13.933 9.951 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.728 -12.831 9.206 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.508 -15.255 7.425 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.239 -14.064 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.488 -14.607 8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.638 -15.097 9.305 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.410 -14.590 7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.252 -15.710 8.371 1.00 0.00 H new ATOM 998 N GLY A 62 -3.017 -11.843 7.665 1.00 0.00 N ATOM 999 CA GLY A 62 -2.034 -11.412 6.719 1.00 0.00 C ATOM 1000 C GLY A 62 -0.664 -11.931 7.043 1.00 0.00 C ATOM 1001 O GLY A 62 -0.306 -12.081 8.212 1.00 0.00 O ATOM 0 H GLY A 62 -2.675 -12.455 8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.321 -11.748 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.011 -10.323 6.694 1.00 0.00 H new ATOM 1005 N ILE A 63 0.085 -12.215 6.015 1.00 0.00 N ATOM 1006 CA ILE A 63 1.411 -12.760 6.128 1.00 0.00 C ATOM 1007 C ILE A 63 2.429 -11.746 5.581 1.00 0.00 C ATOM 1008 O ILE A 63 2.731 -11.735 4.388 1.00 0.00 O ATOM 1009 CB ILE A 63 1.524 -14.096 5.314 1.00 0.00 C ATOM 1010 CG1 ILE A 63 0.459 -15.109 5.770 1.00 0.00 C ATOM 1011 CG2 ILE A 63 2.915 -14.702 5.431 1.00 0.00 C ATOM 1012 CD1 ILE A 63 0.474 -16.417 4.998 1.00 0.00 C ATOM 0 H ILE A 63 -0.216 -12.071 5.051 1.00 0.00 H new ATOM 0 HA ILE A 63 1.618 -12.966 7.178 1.00 0.00 H new ATOM 0 HB ILE A 63 1.348 -13.855 4.266 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.607 -15.323 6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.526 -14.653 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.959 -15.626 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.652 -13.998 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.132 -14.916 6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.306 -17.075 5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.294 -16.218 3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.445 -16.898 5.117 1.00 0.00 H new ATOM 1024 N ASP A 64 2.878 -10.848 6.415 1.00 0.00 N ATOM 1025 CA ASP A 64 3.884 -9.878 5.999 1.00 0.00 C ATOM 1026 C ASP A 64 5.258 -10.395 6.383 1.00 0.00 C ATOM 1027 O ASP A 64 5.571 -10.582 7.570 1.00 0.00 O ATOM 1028 CB ASP A 64 3.608 -8.455 6.561 1.00 0.00 C ATOM 1029 CG ASP A 64 3.644 -8.353 8.069 1.00 0.00 C ATOM 1030 OD1 ASP A 64 2.770 -8.953 8.742 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.515 -7.647 8.614 1.00 0.00 O ATOM 0 H ASP A 64 2.572 -10.758 7.384 1.00 0.00 H new ATOM 0 HA ASP A 64 3.838 -9.769 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.344 -7.766 6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.630 -8.125 6.211 1.00 0.00 H new ATOM 1036 N GLU A 65 6.062 -10.670 5.385 1.00 0.00 N ATOM 1037 CA GLU A 65 7.378 -11.236 5.617 1.00 0.00 C ATOM 1038 C GLU A 65 8.458 -10.183 5.785 1.00 0.00 C ATOM 1039 O GLU A 65 8.969 -9.969 6.887 1.00 0.00 O ATOM 1040 CB GLU A 65 7.746 -12.235 4.509 1.00 0.00 C ATOM 1041 CG GLU A 65 6.793 -13.423 4.414 1.00 0.00 C ATOM 1042 CD GLU A 65 6.692 -14.202 5.710 1.00 0.00 C ATOM 1043 OE1 GLU A 65 5.914 -13.821 6.592 1.00 0.00 O ATOM 1044 OE2 GLU A 65 7.384 -15.238 5.870 1.00 0.00 O ATOM 0 H GLU A 65 5.833 -10.513 4.404 1.00 0.00 H new ATOM 0 HA GLU A 65 7.323 -11.770 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.760 -11.714 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.756 -12.604 4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.802 -13.066 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.129 -14.090 3.620 1.00 0.00 H new ATOM 1051 N GLU A 66 8.772 -9.510 4.731 1.00 0.00 N ATOM 1052 CA GLU A 66 9.825 -8.524 4.729 1.00 0.00 C ATOM 1053 C GLU A 66 9.405 -7.474 3.734 1.00 0.00 C ATOM 1054 O GLU A 66 8.462 -7.704 2.996 1.00 0.00 O ATOM 1055 CB GLU A 66 11.122 -9.220 4.281 1.00 0.00 C ATOM 1056 CG GLU A 66 12.425 -8.481 4.515 1.00 0.00 C ATOM 1057 CD GLU A 66 13.620 -9.294 4.052 1.00 0.00 C ATOM 1058 OE1 GLU A 66 13.884 -10.365 4.619 1.00 0.00 O ATOM 1059 OE2 GLU A 66 14.305 -8.896 3.093 1.00 0.00 O ATOM 0 H GLU A 66 8.306 -9.622 3.831 1.00 0.00 H new ATOM 0 HA GLU A 66 9.996 -8.073 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.183 -10.181 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.041 -9.431 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.404 -7.529 3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.529 -8.252 5.576 1.00 0.00 H new ATOM 1066 N ARG A 67 10.069 -6.352 3.710 1.00 0.00 N ATOM 1067 CA ARG A 67 9.715 -5.290 2.774 1.00 0.00 C ATOM 1068 C ARG A 67 10.303 -5.654 1.419 1.00 0.00 C ATOM 1069 O ARG A 67 9.743 -5.367 0.363 1.00 0.00 O ATOM 1070 CB ARG A 67 10.277 -3.936 3.263 1.00 0.00 C ATOM 1071 CG ARG A 67 9.433 -2.709 2.884 1.00 0.00 C ATOM 1072 CD ARG A 67 9.347 -2.463 1.386 1.00 0.00 C ATOM 1073 NE ARG A 67 8.399 -1.389 1.051 1.00 0.00 N ATOM 1074 CZ ARG A 67 8.552 -0.495 0.065 1.00 0.00 C ATOM 1075 NH1 ARG A 67 9.702 -0.420 -0.608 1.00 0.00 N ATOM 1076 NH2 ARG A 67 7.573 0.331 -0.239 1.00 0.00 N ATOM 0 H ARG A 67 10.858 -6.138 4.320 1.00 0.00 H new ATOM 0 HA ARG A 67 8.632 -5.191 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.374 -3.970 4.348 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.280 -3.808 2.857 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.426 -2.836 3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.856 -1.826 3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.335 -2.205 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.043 -3.382 0.886 1.00 0.00 H new ATOM 0 HE ARG A 67 7.554 -1.319 1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.472 -1.046 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.811 0.263 -1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.694 0.292 0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.694 1.010 -0.990 1.00 0.00 H new ATOM 1090 N SER A 68 11.423 -6.304 1.475 1.00 0.00 N ATOM 1091 CA SER A 68 12.133 -6.782 0.324 1.00 0.00 C ATOM 1092 C SER A 68 11.698 -8.199 -0.052 1.00 0.00 C ATOM 1093 O SER A 68 12.428 -8.972 -0.672 1.00 0.00 O ATOM 1094 CB SER A 68 13.603 -6.685 0.637 1.00 0.00 C ATOM 1095 OG SER A 68 13.777 -6.609 2.055 1.00 0.00 O ATOM 0 H SER A 68 11.888 -6.526 2.355 1.00 0.00 H new ATOM 0 HA SER A 68 11.907 -6.175 -0.553 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.130 -7.553 0.240 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.032 -5.805 0.158 1.00 0.00 H new ATOM 0 HG SER A 68 14.328 -7.361 2.358 1.00 0.00 H new ATOM 1101 N THR A 69 10.495 -8.482 0.273 1.00 0.00 N ATOM 1102 CA THR A 69 9.849 -9.730 0.033 1.00 0.00 C ATOM 1103 C THR A 69 8.365 -9.378 -0.077 1.00 0.00 C ATOM 1104 O THR A 69 8.000 -8.247 0.229 1.00 0.00 O ATOM 1105 CB THR A 69 10.097 -10.704 1.232 1.00 0.00 C ATOM 1106 OG1 THR A 69 11.507 -10.796 1.502 1.00 0.00 O ATOM 1107 CG2 THR A 69 9.574 -12.111 0.952 1.00 0.00 C ATOM 0 H THR A 69 9.889 -7.810 0.745 1.00 0.00 H new ATOM 0 HA THR A 69 10.221 -10.231 -0.861 1.00 0.00 H new ATOM 0 HB THR A 69 9.559 -10.296 2.088 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.657 -11.406 2.254 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.769 -12.750 1.813 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.501 -12.070 0.767 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.078 -12.519 0.076 1.00 0.00 H new ATOM 1115 N VAL A 70 7.543 -10.279 -0.531 1.00 0.00 N ATOM 1116 CA VAL A 70 6.131 -10.008 -0.650 1.00 0.00 C ATOM 1117 C VAL A 70 5.432 -10.120 0.690 1.00 0.00 C ATOM 1118 O VAL A 70 5.918 -10.771 1.633 1.00 0.00 O ATOM 1119 CB VAL A 70 5.416 -10.992 -1.630 1.00 0.00 C ATOM 1120 CG1 VAL A 70 5.900 -10.836 -3.056 1.00 0.00 C ATOM 1121 CG2 VAL A 70 5.557 -12.440 -1.166 1.00 0.00 C ATOM 0 H VAL A 70 7.823 -11.214 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 70 6.063 -8.991 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 70 4.358 -10.730 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.373 -11.542 -3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.705 -9.819 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.971 -11.035 -3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.048 -13.099 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.613 -12.706 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.110 -12.551 -0.178 1.00 0.00 H new ATOM 1131 N MET A 71 4.332 -9.453 0.778 1.00 0.00 N ATOM 1132 CA MET A 71 3.483 -9.526 1.919 1.00 0.00 C ATOM 1133 C MET A 71 2.177 -10.051 1.388 1.00 0.00 C ATOM 1134 O MET A 71 1.649 -9.520 0.417 1.00 0.00 O ATOM 1135 CB MET A 71 3.303 -8.173 2.664 1.00 0.00 C ATOM 1136 CG MET A 71 2.597 -7.063 1.886 1.00 0.00 C ATOM 1137 SD MET A 71 2.255 -5.615 2.913 1.00 0.00 S ATOM 1138 CE MET A 71 1.422 -4.551 1.738 1.00 0.00 C ATOM 0 H MET A 71 3.991 -8.830 0.046 1.00 0.00 H new ATOM 0 HA MET A 71 3.920 -10.172 2.681 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.743 -8.358 3.581 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.288 -7.811 2.960 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.215 -6.767 1.039 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.661 -7.446 1.479 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.657 -3.510 1.960 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.756 -4.791 0.729 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.345 -4.703 1.809 1.00 0.00 H new ATOM 1148 N ILE A 72 1.706 -11.112 1.946 1.00 0.00 N ATOM 1149 CA ILE A 72 0.494 -11.745 1.483 1.00 0.00 C ATOM 1150 C ILE A 72 -0.628 -11.500 2.496 1.00 0.00 C ATOM 1151 O ILE A 72 -0.798 -12.267 3.437 1.00 0.00 O ATOM 1152 CB ILE A 72 0.722 -13.278 1.313 1.00 0.00 C ATOM 1153 CG1 ILE A 72 1.983 -13.534 0.468 1.00 0.00 C ATOM 1154 CG2 ILE A 72 -0.488 -13.931 0.653 1.00 0.00 C ATOM 1155 CD1 ILE A 72 2.380 -14.991 0.368 1.00 0.00 C ATOM 0 H ILE A 72 2.144 -11.577 2.741 1.00 0.00 H new ATOM 0 HA ILE A 72 0.215 -11.320 0.519 1.00 0.00 H new ATOM 0 HB ILE A 72 0.858 -13.718 2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.818 -13.145 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.813 -12.972 0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.309 -15.001 0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.370 -13.772 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.650 -13.487 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.277 -15.082 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.580 -15.383 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.569 -15.558 -0.089 1.00 0.00 H new ATOM 1167 N PRO A 73 -1.358 -10.393 2.383 1.00 0.00 N ATOM 1168 CA PRO A 73 -2.410 -10.077 3.309 1.00 0.00 C ATOM 1169 C PRO A 73 -3.710 -10.794 2.974 1.00 0.00 C ATOM 1170 O PRO A 73 -4.086 -10.959 1.798 1.00 0.00 O ATOM 1171 CB PRO A 73 -2.582 -8.549 3.173 1.00 0.00 C ATOM 1172 CG PRO A 73 -1.550 -8.122 2.177 1.00 0.00 C ATOM 1173 CD PRO A 73 -1.222 -9.347 1.378 1.00 0.00 C ATOM 0 HA PRO A 73 -2.162 -10.395 4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.586 -8.295 2.833 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.434 -8.050 4.131 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.931 -7.327 1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.663 -7.731 2.676 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.908 -9.488 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.216 -9.307 0.960 1.00 0.00 H new ATOM 1181 N TYR A 74 -4.392 -11.212 3.992 1.00 0.00 N ATOM 1182 CA TYR A 74 -5.656 -11.859 3.856 1.00 0.00 C ATOM 1183 C TYR A 74 -6.689 -10.987 4.501 1.00 0.00 C ATOM 1184 O TYR A 74 -7.451 -11.389 5.387 1.00 0.00 O ATOM 1185 CB TYR A 74 -5.647 -13.272 4.425 1.00 0.00 C ATOM 1186 CG TYR A 74 -4.780 -14.216 3.644 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -5.241 -14.775 2.465 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -3.503 -14.544 4.074 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -4.461 -15.633 1.734 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -2.714 -15.405 3.346 1.00 0.00 C ATOM 1191 CZ TYR A 74 -3.199 -15.947 2.177 1.00 0.00 C ATOM 1192 OH TYR A 74 -2.416 -16.804 1.444 1.00 0.00 O ATOM 0 H TYR A 74 -4.080 -11.111 4.958 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.894 -11.986 2.800 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.300 -13.239 5.458 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.667 -13.656 4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.233 -14.531 2.115 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.123 -14.119 4.991 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.836 -16.060 0.815 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.721 -15.654 3.689 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.552 -16.922 1.892 1.00 0.00 H new ATOM 1202 N THR A 75 -6.623 -9.761 4.107 1.00 0.00 N ATOM 1203 CA THR A 75 -7.514 -8.769 4.538 1.00 0.00 C ATOM 1204 C THR A 75 -8.559 -8.612 3.470 1.00 0.00 C ATOM 1205 O THR A 75 -8.215 -8.329 2.321 1.00 0.00 O ATOM 1206 CB THR A 75 -6.755 -7.439 4.726 1.00 0.00 C ATOM 1207 OG1 THR A 75 -6.039 -7.116 3.497 1.00 0.00 O ATOM 1208 CG2 THR A 75 -5.760 -7.535 5.878 1.00 0.00 C ATOM 0 H THR A 75 -5.918 -9.422 3.453 1.00 0.00 H new ATOM 0 HA THR A 75 -7.972 -9.043 5.488 1.00 0.00 H new ATOM 0 HB THR A 75 -7.478 -6.658 4.958 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.548 -7.443 2.726 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.239 -6.584 5.989 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.293 -7.766 6.800 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.037 -8.323 5.669 1.00 0.00 H new ATOM 1216 N LYS A 76 -9.801 -8.838 3.801 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.849 -8.708 2.827 1.00 0.00 C ATOM 1218 C LYS A 76 -11.558 -7.375 3.001 1.00 0.00 C ATOM 1219 O LYS A 76 -12.318 -7.187 3.956 1.00 0.00 O ATOM 1220 CB LYS A 76 -11.849 -9.869 2.913 1.00 0.00 C ATOM 1221 CG LYS A 76 -12.928 -9.830 1.837 1.00 0.00 C ATOM 1222 CD LYS A 76 -12.315 -9.885 0.447 1.00 0.00 C ATOM 1223 CE LYS A 76 -13.365 -9.823 -0.637 1.00 0.00 C ATOM 1224 NZ LYS A 76 -12.753 -9.855 -1.978 1.00 0.00 N ATOM 0 H LYS A 76 -10.111 -9.112 4.733 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.395 -8.743 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.306 -10.811 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.325 -9.855 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.610 -10.670 1.971 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.518 -8.920 1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.618 -9.056 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.738 -10.804 0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.053 -10.662 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -13.953 -8.912 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.499 -9.811 -2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.116 -9.041 -2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.212 -10.736 -2.092 1.00 0.00 H new ATOM 1238 N PRO A 77 -11.255 -6.401 2.150 1.00 0.00 N ATOM 1239 CA PRO A 77 -11.882 -5.125 2.176 1.00 0.00 C ATOM 1240 C PRO A 77 -12.900 -4.987 1.045 1.00 0.00 C ATOM 1241 O PRO A 77 -13.295 -5.967 0.410 1.00 0.00 O ATOM 1242 CB PRO A 77 -10.691 -4.191 1.939 1.00 0.00 C ATOM 1243 CG PRO A 77 -9.678 -5.025 1.191 1.00 0.00 C ATOM 1244 CD PRO A 77 -10.230 -6.425 1.110 1.00 0.00 C ATOM 0 HA PRO A 77 -12.437 -4.927 3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -10.986 -3.316 1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.282 -3.827 2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.507 -4.620 0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.718 -5.019 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.649 -6.643 0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.466 -7.178 1.305 1.00 0.00 H new ATOM 1252 N CYS A 78 -13.277 -3.783 0.790 1.00 0.00 N ATOM 1253 CA CYS A 78 -14.216 -3.451 -0.242 1.00 0.00 C ATOM 1254 C CYS A 78 -13.461 -2.731 -1.361 1.00 0.00 C ATOM 1255 O CYS A 78 -13.985 -1.860 -2.047 1.00 0.00 O ATOM 1256 CB CYS A 78 -15.274 -2.561 0.380 1.00 0.00 C ATOM 1257 SG CYS A 78 -16.202 -3.356 1.717 1.00 0.00 S ATOM 0 H CYS A 78 -12.934 -2.972 1.305 1.00 0.00 H new ATOM 0 HA CYS A 78 -14.696 -4.332 -0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -14.797 -1.661 0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -15.971 -2.244 -0.396 1.00 0.00 H new ATOM 0 HG CYS A 78 -17.081 -2.523 2.190 1.00 0.00 H new ATOM 1263 N TYR A 79 -12.236 -3.167 -1.567 1.00 0.00 N ATOM 1264 CA TYR A 79 -11.339 -2.566 -2.538 1.00 0.00 C ATOM 1265 C TYR A 79 -10.505 -3.648 -3.246 1.00 0.00 C ATOM 1266 O TYR A 79 -10.742 -3.973 -4.405 1.00 0.00 O ATOM 1267 CB TYR A 79 -10.440 -1.575 -1.777 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.353 -0.864 -2.559 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -8.106 -1.453 -2.738 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -9.542 0.413 -3.050 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -7.096 -0.803 -3.385 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -8.519 1.077 -3.689 1.00 0.00 C ATOM 1273 CZ TYR A 79 -7.300 0.460 -3.854 1.00 0.00 C ATOM 1274 OH TYR A 79 -6.270 1.126 -4.466 1.00 0.00 O ATOM 0 H TYR A 79 -11.829 -3.955 -1.062 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.900 -2.044 -3.313 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.082 -0.816 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.965 -2.115 -0.958 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.933 -2.448 -2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -10.501 0.895 -2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -6.140 -1.287 -3.525 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.673 2.080 -4.060 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.631 1.857 -5.010 1.00 0.00 H new ATOM 1284 N GLY A 80 -9.573 -4.218 -2.523 1.00 0.00 N ATOM 1285 CA GLY A 80 -8.688 -5.210 -3.061 1.00 0.00 C ATOM 1286 C GLY A 80 -7.528 -5.385 -2.128 1.00 0.00 C ATOM 1287 O GLY A 80 -7.496 -4.751 -1.071 1.00 0.00 O ATOM 0 H GLY A 80 -9.410 -4.003 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.215 -6.156 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.336 -4.906 -4.047 1.00 0.00 H new ATOM 1291 N THR A 81 -6.579 -6.185 -2.476 1.00 0.00 N ATOM 1292 CA THR A 81 -5.469 -6.429 -1.592 1.00 0.00 C ATOM 1293 C THR A 81 -4.145 -5.908 -2.199 1.00 0.00 C ATOM 1294 O THR A 81 -3.980 -5.871 -3.421 1.00 0.00 O ATOM 1295 CB THR A 81 -5.396 -7.923 -1.265 1.00 0.00 C ATOM 1296 OG1 THR A 81 -6.698 -8.355 -0.842 1.00 0.00 O ATOM 1297 CG2 THR A 81 -4.409 -8.205 -0.151 1.00 0.00 C ATOM 0 H THR A 81 -6.541 -6.686 -3.364 1.00 0.00 H new ATOM 0 HA THR A 81 -5.624 -5.879 -0.664 1.00 0.00 H new ATOM 0 HB THR A 81 -5.065 -8.456 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.607 -9.096 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.386 -9.276 0.052 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.416 -7.871 -0.452 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.714 -7.672 0.749 1.00 0.00 H new ATOM 1305 N ALA A 82 -3.233 -5.494 -1.339 1.00 0.00 N ATOM 1306 CA ALA A 82 -1.968 -4.935 -1.750 1.00 0.00 C ATOM 1307 C ALA A 82 -0.832 -5.862 -1.408 1.00 0.00 C ATOM 1308 O ALA A 82 -0.678 -6.252 -0.259 1.00 0.00 O ATOM 1309 CB ALA A 82 -1.739 -3.614 -1.034 1.00 0.00 C ATOM 0 H ALA A 82 -3.355 -5.539 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.999 -4.788 -2.830 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.783 -3.192 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.541 -2.920 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.729 -3.781 0.043 1.00 0.00 H new ATOM 1315 N VAL A 83 -0.059 -6.209 -2.387 1.00 0.00 N ATOM 1316 CA VAL A 83 1.101 -7.029 -2.198 1.00 0.00 C ATOM 1317 C VAL A 83 2.266 -6.214 -2.728 1.00 0.00 C ATOM 1318 O VAL A 83 2.214 -5.709 -3.834 1.00 0.00 O ATOM 1319 CB VAL A 83 0.985 -8.381 -2.977 1.00 0.00 C ATOM 1320 CG1 VAL A 83 2.178 -9.284 -2.694 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -0.317 -9.107 -2.641 1.00 0.00 C ATOM 0 H VAL A 83 -0.216 -5.928 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 83 1.225 -7.292 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 83 0.978 -8.141 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.069 -10.216 -3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.095 -8.783 -3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.225 -9.501 -1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.366 -10.042 -3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.350 -9.319 -1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.165 -8.478 -2.912 1.00 0.00 H new ATOM 1331 N VAL A 84 3.260 -6.002 -1.938 1.00 0.00 N ATOM 1332 CA VAL A 84 4.386 -5.211 -2.371 1.00 0.00 C ATOM 1333 C VAL A 84 5.652 -6.030 -2.180 1.00 0.00 C ATOM 1334 O VAL A 84 5.695 -6.874 -1.280 1.00 0.00 O ATOM 1335 CB VAL A 84 4.475 -3.838 -1.588 1.00 0.00 C ATOM 1336 CG1 VAL A 84 3.192 -3.025 -1.737 1.00 0.00 C ATOM 1337 CG2 VAL A 84 4.829 -4.031 -0.112 1.00 0.00 C ATOM 0 H VAL A 84 3.328 -6.360 -0.985 1.00 0.00 H new ATOM 0 HA VAL A 84 4.262 -4.959 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 84 5.289 -3.274 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.288 -2.089 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.018 -2.810 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.352 -3.595 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.878 -3.060 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.066 -4.643 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.796 -4.527 -0.032 1.00 0.00 H new ATOM 1347 N GLU A 85 6.624 -5.863 -3.064 1.00 0.00 N ATOM 1348 CA GLU A 85 7.894 -6.556 -2.937 1.00 0.00 C ATOM 1349 C GLU A 85 9.011 -5.701 -3.482 1.00 0.00 C ATOM 1350 O GLU A 85 9.018 -5.318 -4.664 1.00 0.00 O ATOM 1351 CB GLU A 85 7.895 -7.934 -3.612 1.00 0.00 C ATOM 1352 CG GLU A 85 9.224 -8.672 -3.448 1.00 0.00 C ATOM 1353 CD GLU A 85 9.229 -10.068 -4.009 1.00 0.00 C ATOM 1354 OE1 GLU A 85 9.190 -10.227 -5.246 1.00 0.00 O ATOM 1355 OE2 GLU A 85 9.291 -11.042 -3.223 1.00 0.00 O ATOM 0 H GLU A 85 6.556 -5.252 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 85 8.054 -6.731 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.093 -8.541 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.680 -7.814 -4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.010 -8.094 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.473 -8.718 -2.388 1.00 0.00 H new ATOM 1362 N LEU A 86 9.925 -5.369 -2.635 1.00 0.00 N ATOM 1363 CA LEU A 86 11.039 -4.565 -3.012 1.00 0.00 C ATOM 1364 C LEU A 86 12.233 -5.481 -3.345 1.00 0.00 C ATOM 1365 O LEU A 86 12.591 -6.321 -2.553 1.00 0.00 O ATOM 1366 CB LEU A 86 11.392 -3.631 -1.848 1.00 0.00 C ATOM 1367 CG LEU A 86 12.467 -2.595 -2.106 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.970 -1.505 -3.027 1.00 0.00 C ATOM 1369 CD2 LEU A 86 13.001 -2.029 -0.808 1.00 0.00 C ATOM 0 H LEU A 86 9.921 -5.649 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 86 10.797 -3.967 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.484 -3.110 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.707 -4.244 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 86 13.295 -3.092 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.765 -0.778 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.674 -1.942 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.112 -1.008 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.771 -1.288 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.188 -1.558 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.429 -2.833 -0.209 1.00 0.00 H new ATOM 1381 N PRO A 87 12.836 -5.350 -4.541 1.00 0.00 N ATOM 1382 CA PRO A 87 14.016 -6.153 -4.921 1.00 0.00 C ATOM 1383 C PRO A 87 15.309 -5.522 -4.391 1.00 0.00 C ATOM 1384 O PRO A 87 16.423 -6.007 -4.635 1.00 0.00 O ATOM 1385 CB PRO A 87 13.979 -6.099 -6.446 1.00 0.00 C ATOM 1386 CG PRO A 87 13.378 -4.774 -6.753 1.00 0.00 C ATOM 1387 CD PRO A 87 12.404 -4.469 -5.634 1.00 0.00 C ATOM 0 HA PRO A 87 13.995 -7.165 -4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.978 -6.191 -6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.381 -6.912 -6.858 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.148 -4.005 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.868 -4.794 -7.716 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.446 -3.420 -5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.376 -4.676 -5.931 1.00 0.00 H new ATOM 1395 N VAL A 88 15.134 -4.434 -3.700 1.00 0.00 N ATOM 1396 CA VAL A 88 16.194 -3.695 -3.074 1.00 0.00 C ATOM 1397 C VAL A 88 16.165 -4.099 -1.600 1.00 0.00 C ATOM 1398 O VAL A 88 15.163 -4.656 -1.152 1.00 0.00 O ATOM 1399 CB VAL A 88 15.936 -2.154 -3.210 1.00 0.00 C ATOM 1400 CG1 VAL A 88 17.132 -1.328 -2.758 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.534 -1.781 -4.635 1.00 0.00 C ATOM 0 H VAL A 88 14.214 -4.020 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 88 17.158 -3.908 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 88 15.105 -1.917 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.906 -0.268 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.348 -1.543 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 88 18.000 -1.580 -3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.362 -0.706 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.332 -2.060 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.620 -2.310 -4.905 1.00 0.00 H new ATOM 1411 N ASP A 89 17.211 -3.816 -0.862 1.00 0.00 N ATOM 1412 CA ASP A 89 17.294 -4.200 0.543 1.00 0.00 C ATOM 1413 C ASP A 89 16.323 -3.374 1.369 1.00 0.00 C ATOM 1414 O ASP A 89 15.892 -2.296 0.930 1.00 0.00 O ATOM 1415 CB ASP A 89 18.731 -3.997 1.079 1.00 0.00 C ATOM 1416 CG ASP A 89 19.725 -4.984 0.533 1.00 0.00 C ATOM 1417 OD1 ASP A 89 20.303 -4.727 -0.537 1.00 0.00 O ATOM 1418 OD2 ASP A 89 19.969 -6.022 1.172 1.00 0.00 O ATOM 0 H ASP A 89 18.030 -3.316 -1.208 1.00 0.00 H new ATOM 0 HA ASP A 89 17.032 -5.255 0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.062 -2.988 0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.718 -4.072 2.166 1.00 0.00 H new ATOM 1423 N PRO A 90 15.984 -3.814 2.604 1.00 0.00 N ATOM 1424 CA PRO A 90 15.089 -3.069 3.507 1.00 0.00 C ATOM 1425 C PRO A 90 15.736 -1.761 4.024 1.00 0.00 C ATOM 1426 O PRO A 90 15.270 -1.154 4.982 1.00 0.00 O ATOM 1427 CB PRO A 90 14.864 -4.045 4.667 1.00 0.00 C ATOM 1428 CG PRO A 90 16.060 -4.914 4.655 1.00 0.00 C ATOM 1429 CD PRO A 90 16.400 -5.101 3.212 1.00 0.00 C ATOM 0 HA PRO A 90 14.171 -2.758 3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 90 14.766 -3.518 5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 90 13.951 -4.624 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 90 16.886 -4.453 5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 90 15.856 -5.870 5.138 1.00 0.00 H new ATOM 0 HD2 PRO A 90 17.464 -5.290 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.865 -5.945 2.777 1.00 0.00 H new ATOM 1437 N GLU A 91 16.796 -1.328 3.359 1.00 0.00 N ATOM 1438 CA GLU A 91 17.497 -0.098 3.667 1.00 0.00 C ATOM 1439 C GLU A 91 16.624 1.080 3.284 1.00 0.00 C ATOM 1440 O GLU A 91 16.779 2.203 3.785 1.00 0.00 O ATOM 1441 CB GLU A 91 18.887 -0.084 2.978 1.00 0.00 C ATOM 1442 CG GLU A 91 18.916 -0.314 1.450 1.00 0.00 C ATOM 1443 CD GLU A 91 18.646 0.921 0.610 1.00 0.00 C ATOM 1444 OE1 GLU A 91 19.599 1.697 0.355 1.00 0.00 O ATOM 1445 OE2 GLU A 91 17.514 1.126 0.166 1.00 0.00 O ATOM 0 H GLU A 91 17.200 -1.836 2.572 1.00 0.00 H new ATOM 0 HA GLU A 91 17.690 -0.024 4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.358 0.877 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.505 -0.849 3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 91 19.892 -0.715 1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.177 -1.075 1.198 1.00 0.00 H new ATOM 1452 N GLU A 92 15.673 0.783 2.415 1.00 0.00 N ATOM 1453 CA GLU A 92 14.690 1.728 1.953 1.00 0.00 C ATOM 1454 C GLU A 92 13.778 2.148 3.114 1.00 0.00 C ATOM 1455 O GLU A 92 13.243 3.259 3.124 1.00 0.00 O ATOM 1456 CB GLU A 92 13.870 1.086 0.826 1.00 0.00 C ATOM 1457 CG GLU A 92 12.969 2.039 0.067 1.00 0.00 C ATOM 1458 CD GLU A 92 13.758 3.081 -0.676 1.00 0.00 C ATOM 1459 OE1 GLU A 92 14.211 4.046 -0.058 1.00 0.00 O ATOM 1460 OE2 GLU A 92 13.959 2.939 -1.904 1.00 0.00 O ATOM 0 H GLU A 92 15.567 -0.145 2.006 1.00 0.00 H new ATOM 0 HA GLU A 92 15.186 2.620 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.555 0.618 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.257 0.291 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.356 1.477 -0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.287 2.527 0.764 1.00 0.00 H new ATOM 1467 N ILE A 93 13.677 1.281 4.133 1.00 0.00 N ATOM 1468 CA ILE A 93 12.817 1.515 5.283 1.00 0.00 C ATOM 1469 C ILE A 93 13.189 2.809 6.020 1.00 0.00 C ATOM 1470 O ILE A 93 12.330 3.471 6.575 1.00 0.00 O ATOM 1471 CB ILE A 93 12.773 0.285 6.255 1.00 0.00 C ATOM 1472 CG1 ILE A 93 12.138 -0.917 5.532 1.00 0.00 C ATOM 1473 CG2 ILE A 93 11.998 0.600 7.546 1.00 0.00 C ATOM 1474 CD1 ILE A 93 12.050 -2.176 6.369 1.00 0.00 C ATOM 0 H ILE A 93 14.192 0.402 4.175 1.00 0.00 H new ATOM 0 HA ILE A 93 11.807 1.643 4.895 1.00 0.00 H new ATOM 0 HB ILE A 93 13.796 0.045 6.543 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.135 -0.641 5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.717 -1.132 4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.992 -0.279 8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 93 12.479 1.428 8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.973 0.874 7.297 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.591 -2.972 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.051 -2.481 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.445 -1.983 7.255 1.00 0.00 H new ATOM 1486 N GLU A 94 14.452 3.216 5.924 1.00 0.00 N ATOM 1487 CA GLU A 94 14.902 4.431 6.588 1.00 0.00 C ATOM 1488 C GLU A 94 14.185 5.644 6.019 1.00 0.00 C ATOM 1489 O GLU A 94 13.708 6.514 6.764 1.00 0.00 O ATOM 1490 CB GLU A 94 16.411 4.603 6.476 1.00 0.00 C ATOM 1491 CG GLU A 94 17.205 3.545 7.218 1.00 0.00 C ATOM 1492 CD GLU A 94 18.683 3.797 7.148 1.00 0.00 C ATOM 1493 OE1 GLU A 94 19.141 4.848 7.637 1.00 0.00 O ATOM 1494 OE2 GLU A 94 19.432 2.940 6.629 1.00 0.00 O ATOM 0 H GLU A 94 15.175 2.726 5.397 1.00 0.00 H new ATOM 0 HA GLU A 94 14.656 4.341 7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.692 4.583 5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.685 5.586 6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.891 3.521 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.984 2.564 6.796 1.00 0.00 H new ATOM 1501 N ARG A 95 14.023 5.658 4.709 1.00 0.00 N ATOM 1502 CA ARG A 95 13.349 6.770 4.068 1.00 0.00 C ATOM 1503 C ARG A 95 11.892 6.629 4.343 1.00 0.00 C ATOM 1504 O ARG A 95 11.234 7.572 4.659 1.00 0.00 O ATOM 1505 CB ARG A 95 13.561 6.833 2.543 1.00 0.00 C ATOM 1506 CG ARG A 95 15.000 6.954 2.066 1.00 0.00 C ATOM 1507 CD ARG A 95 15.673 5.626 2.177 1.00 0.00 C ATOM 1508 NE ARG A 95 17.052 5.611 1.749 1.00 0.00 N ATOM 1509 CZ ARG A 95 17.606 4.557 1.184 1.00 0.00 C ATOM 1510 NH1 ARG A 95 16.845 3.681 0.555 1.00 0.00 N ATOM 1511 NH2 ARG A 95 18.917 4.440 1.137 1.00 0.00 N ATOM 0 H ARG A 95 14.343 4.924 4.077 1.00 0.00 H new ATOM 0 HA ARG A 95 13.770 7.690 4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.128 5.936 2.100 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.999 7.683 2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.024 7.301 1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 95 15.532 7.694 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.625 5.295 3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 95 15.115 4.900 1.585 1.00 0.00 H new ATOM 0 HE ARG A 95 17.619 6.447 1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 95 15.836 3.822 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.266 2.863 0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 95 19.509 5.167 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.341 3.622 0.699 1.00 0.00 H new ATOM 1525 N ILE A 96 11.437 5.395 4.306 1.00 0.00 N ATOM 1526 CA ILE A 96 10.048 5.025 4.528 1.00 0.00 C ATOM 1527 C ILE A 96 9.560 5.484 5.921 1.00 0.00 C ATOM 1528 O ILE A 96 8.412 5.876 6.089 1.00 0.00 O ATOM 1529 CB ILE A 96 9.897 3.487 4.347 1.00 0.00 C ATOM 1530 CG1 ILE A 96 10.078 3.091 2.872 1.00 0.00 C ATOM 1531 CG2 ILE A 96 8.612 2.918 4.930 1.00 0.00 C ATOM 1532 CD1 ILE A 96 9.995 1.599 2.605 1.00 0.00 C ATOM 0 H ILE A 96 12.039 4.594 4.115 1.00 0.00 H new ATOM 0 HA ILE A 96 9.420 5.532 3.795 1.00 0.00 H new ATOM 0 HB ILE A 96 10.698 3.033 4.931 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.317 3.596 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 96 11.046 3.455 2.527 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.582 1.841 4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.577 3.120 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.755 3.384 4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.134 1.412 1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.774 1.085 3.168 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.018 1.228 2.914 1.00 0.00 H new ATOM 1544 N LEU A 97 10.456 5.463 6.893 1.00 0.00 N ATOM 1545 CA LEU A 97 10.144 5.912 8.248 1.00 0.00 C ATOM 1546 C LEU A 97 9.821 7.413 8.237 1.00 0.00 C ATOM 1547 O LEU A 97 8.910 7.881 8.920 1.00 0.00 O ATOM 1548 CB LEU A 97 11.336 5.632 9.180 1.00 0.00 C ATOM 1549 CG LEU A 97 11.150 5.986 10.662 1.00 0.00 C ATOM 1550 CD1 LEU A 97 10.058 5.134 11.294 1.00 0.00 C ATOM 1551 CD2 LEU A 97 12.460 5.829 11.418 1.00 0.00 C ATOM 0 H LEU A 97 11.415 5.137 6.771 1.00 0.00 H new ATOM 0 HA LEU A 97 9.275 5.366 8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.580 4.572 9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 97 12.198 6.183 8.804 1.00 0.00 H new ATOM 0 HG LEU A 97 10.840 7.029 10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.947 5.405 12.344 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.116 5.305 10.773 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.328 4.081 11.218 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.308 6.084 12.467 1.00 0.00 H new ATOM 0 HD22 LEU A 97 12.803 4.797 11.342 1.00 0.00 H new ATOM 0 HD23 LEU A 97 13.210 6.493 10.988 1.00 0.00 H new ATOM 1563 N GLU A 98 10.551 8.141 7.424 1.00 0.00 N ATOM 1564 CA GLU A 98 10.385 9.579 7.292 1.00 0.00 C ATOM 1565 C GLU A 98 9.184 9.875 6.386 1.00 0.00 C ATOM 1566 O GLU A 98 8.340 10.724 6.677 1.00 0.00 O ATOM 1567 CB GLU A 98 11.645 10.152 6.657 1.00 0.00 C ATOM 1568 CG GLU A 98 11.672 11.660 6.561 1.00 0.00 C ATOM 1569 CD GLU A 98 11.700 12.333 7.908 1.00 0.00 C ATOM 1570 OE1 GLU A 98 12.805 12.585 8.427 1.00 0.00 O ATOM 1571 OE2 GLU A 98 10.627 12.646 8.463 1.00 0.00 O ATOM 0 H GLU A 98 11.283 7.754 6.829 1.00 0.00 H new ATOM 0 HA GLU A 98 10.216 10.027 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.509 9.822 7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.753 9.735 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.548 11.967 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.796 12.000 6.009 1.00 0.00 H new ATOM 1578 N VAL A 99 9.106 9.117 5.324 1.00 0.00 N ATOM 1579 CA VAL A 99 8.096 9.230 4.292 1.00 0.00 C ATOM 1580 C VAL A 99 6.713 8.707 4.781 1.00 0.00 C ATOM 1581 O VAL A 99 5.746 8.717 4.035 1.00 0.00 O ATOM 1582 CB VAL A 99 8.616 8.509 2.974 1.00 0.00 C ATOM 1583 CG1 VAL A 99 7.591 8.469 1.848 1.00 0.00 C ATOM 1584 CG2 VAL A 99 9.857 9.223 2.459 1.00 0.00 C ATOM 0 H VAL A 99 9.774 8.368 5.142 1.00 0.00 H new ATOM 0 HA VAL A 99 7.931 10.281 4.053 1.00 0.00 H new ATOM 0 HB VAL A 99 8.828 7.479 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.020 7.962 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.704 7.930 2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.314 9.486 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.213 8.728 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.612 10.261 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.637 9.193 3.220 1.00 0.00 H new ATOM 1594 N ALA A 100 6.646 8.297 6.081 1.00 0.00 N ATOM 1595 CA ALA A 100 5.412 7.823 6.749 1.00 0.00 C ATOM 1596 C ALA A 100 4.230 8.694 6.374 1.00 0.00 C ATOM 1597 O ALA A 100 3.142 8.200 6.059 1.00 0.00 O ATOM 1598 CB ALA A 100 5.602 7.803 8.250 1.00 0.00 C ATOM 0 H ALA A 100 7.460 8.289 6.695 1.00 0.00 H new ATOM 0 HA ALA A 100 5.206 6.807 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.687 7.453 8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.424 7.133 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 100 5.832 8.809 8.601 1.00 0.00 H new ATOM 1604 N GLU A 101 4.477 9.971 6.394 1.00 0.00 N ATOM 1605 CA GLU A 101 3.564 10.956 5.994 1.00 0.00 C ATOM 1606 C GLU A 101 4.381 12.227 5.694 1.00 0.00 C ATOM 1607 O GLU A 101 4.876 12.890 6.590 1.00 0.00 O ATOM 1608 CB GLU A 101 2.315 11.123 6.952 1.00 0.00 C ATOM 1609 CG GLU A 101 2.528 11.558 8.406 1.00 0.00 C ATOM 1610 CD GLU A 101 2.792 13.036 8.557 1.00 0.00 C ATOM 1611 OE1 GLU A 101 2.042 13.853 7.960 1.00 0.00 O ATOM 1612 OE2 GLU A 101 3.724 13.420 9.290 1.00 0.00 O ATOM 0 H GLU A 101 5.369 10.354 6.708 1.00 0.00 H new ATOM 0 HA GLU A 101 3.049 10.657 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.644 11.847 6.490 1.00 0.00 H new ATOM 0 HB3 GLU A 101 1.789 10.169 6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.647 11.292 8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.367 11.002 8.825 1.00 0.00 H new ATOM 1619 N PRO A 102 4.678 12.460 4.409 1.00 0.00 N ATOM 1620 CA PRO A 102 5.486 13.605 3.955 1.00 0.00 C ATOM 1621 C PRO A 102 4.912 14.945 4.401 1.00 0.00 C ATOM 1622 O PRO A 102 5.374 15.482 5.422 1.00 0.00 O ATOM 1623 CB PRO A 102 5.460 13.465 2.432 1.00 0.00 C ATOM 1624 CG PRO A 102 5.259 12.013 2.220 1.00 0.00 C ATOM 1625 CD PRO A 102 4.294 11.600 3.279 1.00 0.00 C ATOM 1626 OXT PRO A 102 3.949 15.444 3.774 1.00 0.00 O ATOM 0 HA PRO A 102 6.491 13.594 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 102 4.654 14.050 1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.390 13.811 1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 102 4.864 11.810 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 102 6.199 11.467 2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.261 11.767 2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 102 4.388 10.542 3.524 1.00 0.00 H new