USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 798 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 69 CYS SG : rot -171:sc= -0.185 USER MOD Set 1.2: A 78 GLN : amide:sc= -2.72! C(o=-2.9!,f=-6.3!) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 39 LYS NZ :NH3+ 178:sc= -0.161 (180deg=-0.26) USER MOD Set 3.1: A 32 CYS SG : rot 156:sc= -1.21 USER MOD Set 3.2: A 35 CYS SG : rot 73:sc= -1.43! USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.6! K(o=-1.6!,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.11) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.134 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.282 K(o=0.28,f=-4.6!) USER MOD Single : A 44 SER OG : rot 108:sc= 0.211 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= -0.0973 (180deg=-0.894) USER MOD Single : A 49 TYR OH : rot 147:sc= 1.27 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.381 K(o=-0.38,f=-2.3!) USER MOD Single : A 62 CYS SG : rot -170:sc= 0.314 USER MOD Single : A 63 GLN : amide:sc= -1.31! K(o=-1.3!,f=0) USER MOD Single : A 67 SER OG : rot -28:sc= 0.432! USER MOD Single : A 72 LYS NZ :NH3+ 164:sc=-0.00228 (180deg=-0.119) USER MOD Single : A 73 CYS SG : rot 34:sc= 0.00239 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 76 THR OG1 : rot 93:sc= 1.28 USER MOD Single : A 81 LYS NZ :NH3+ 152:sc= -2.62! (180deg=-4.07!) USER MOD Single : A 82 LYS NZ :NH3+ -147:sc= -0.0341 (180deg=-0.379) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 85 LYS NZ :NH3+ -129:sc= -0.0434 (180deg=-0.466) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.434 X(o=-0.43,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -178:sc= 0.414! (180deg=0.357!) USER MOD Single : A 96 LYS NZ :NH3+ -171:sc= -3.62! (180deg=-4.06!) USER MOD Single : A 100 THR OG1 : rot 103:sc= 1.02 USER MOD Single : A 102 ASN : amide:sc= -0.0222 K(o=-0.022,f=-0.67) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.347 -0.117 8.938 1.00 0.18 N ATOM 21 CA VAL A 2 -3.049 -0.059 8.201 1.00 0.22 C ATOM 22 C VAL A 2 -2.008 -0.950 8.885 1.00 0.35 C ATOM 23 O VAL A 2 -1.927 -0.992 10.097 1.00 0.48 O ATOM 24 CB VAL A 2 -2.550 1.383 8.172 1.00 0.29 C ATOM 25 CG1 VAL A 2 -1.267 1.452 7.342 1.00 0.29 C ATOM 26 CG2 VAL A 2 -3.614 2.273 7.524 1.00 0.29 C ATOM 0 HA VAL A 2 -3.201 -0.417 7.183 1.00 0.22 H new ATOM 0 HB VAL A 2 -2.353 1.725 9.188 1.00 0.29 H new ATOM 0 HG11 VAL A 2 -0.905 2.480 7.317 1.00 0.29 H new ATOM 0 HG12 VAL A 2 -0.508 0.811 7.791 1.00 0.29 H new ATOM 0 HG13 VAL A 2 -1.472 1.115 6.326 1.00 0.29 H new ATOM 0 HG21 VAL A 2 -3.261 3.304 7.501 1.00 0.29 H new ATOM 0 HG22 VAL A 2 -3.803 1.932 6.506 1.00 0.29 H new ATOM 0 HG23 VAL A 2 -4.536 2.218 8.102 1.00 0.29 H new ATOM 36 N LYS A 3 -1.236 -1.647 8.086 1.00 0.31 N ATOM 37 CA LYS A 3 -0.186 -2.545 8.662 1.00 0.45 C ATOM 38 C LYS A 3 1.150 -2.322 7.945 1.00 0.40 C ATOM 39 O LYS A 3 1.183 -2.025 6.766 1.00 0.32 O ATOM 40 CB LYS A 3 -0.621 -3.999 8.486 1.00 0.51 C ATOM 41 CG LYS A 3 -0.252 -4.787 9.745 1.00 0.92 C ATOM 42 CD LYS A 3 -0.540 -6.271 9.510 1.00 0.41 C ATOM 43 CE LYS A 3 -0.055 -7.074 10.717 1.00 1.19 C ATOM 44 NZ LYS A 3 1.157 -7.867 10.364 1.00 1.88 N ATOM 0 H LYS A 3 -1.287 -1.633 7.067 1.00 0.31 H new ATOM 0 HA LYS A 3 -0.061 -2.319 9.721 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -1.696 -4.052 8.311 1.00 0.51 H new ATOM 0 HB3 LYS A 3 -0.134 -4.434 7.613 1.00 0.51 H new ATOM 0 HG2 LYS A 3 0.802 -4.642 9.984 1.00 0.92 H new ATOM 0 HG3 LYS A 3 -0.825 -4.423 10.598 1.00 0.92 H new ATOM 0 HD2 LYS A 3 -1.608 -6.427 9.360 1.00 0.41 H new ATOM 0 HD3 LYS A 3 -0.037 -6.613 8.605 1.00 0.41 H new ATOM 0 HE2 LYS A 3 0.172 -6.399 11.542 1.00 1.19 H new ATOM 0 HE3 LYS A 3 -0.846 -7.741 11.059 1.00 1.19 H new ATOM 0 HZ1 LYS A 3 1.473 -8.406 11.195 1.00 1.88 H new ATOM 0 HZ2 LYS A 3 0.929 -8.524 9.591 1.00 1.88 H new ATOM 0 HZ3 LYS A 3 1.916 -7.224 10.059 1.00 1.88 H new ATOM 58 N GLN A 4 2.223 -2.473 8.678 1.00 0.49 N ATOM 59 CA GLN A 4 3.574 -2.270 8.067 1.00 0.51 C ATOM 60 C GLN A 4 4.260 -3.617 7.826 1.00 0.49 C ATOM 61 O GLN A 4 4.183 -4.511 8.645 1.00 0.56 O ATOM 62 CB GLN A 4 4.423 -1.430 9.020 1.00 0.70 C ATOM 63 CG GLN A 4 5.736 -1.058 8.329 1.00 0.86 C ATOM 64 CD GLN A 4 6.556 -0.161 9.258 1.00 0.70 C ATOM 65 OE1 GLN A 4 7.704 0.136 8.999 1.00 1.57 O ATOM 66 NE2 GLN A 4 6.003 0.291 10.352 1.00 0.79 N ATOM 0 H GLN A 4 2.225 -2.726 9.666 1.00 0.49 H new ATOM 0 HA GLN A 4 3.463 -1.760 7.110 1.00 0.51 H new ATOM 0 HB2 GLN A 4 3.882 -0.529 9.309 1.00 0.70 H new ATOM 0 HB3 GLN A 4 4.625 -1.988 9.934 1.00 0.70 H new ATOM 0 HG2 GLN A 4 6.299 -1.958 8.083 1.00 0.86 H new ATOM 0 HG3 GLN A 4 5.534 -0.542 7.391 1.00 0.86 H new ATOM 0 HE21 GLN A 4 5.039 0.045 10.575 1.00 0.79 H new ATOM 0 HE22 GLN A 4 6.536 0.890 10.983 1.00 0.79 H new ATOM 75 N ILE A 5 4.921 -3.730 6.703 1.00 0.43 N ATOM 76 CA ILE A 5 5.626 -5.009 6.387 1.00 0.42 C ATOM 77 C ILE A 5 7.117 -4.875 6.726 1.00 0.61 C ATOM 78 O ILE A 5 7.588 -3.800 7.035 1.00 0.83 O ATOM 79 CB ILE A 5 5.465 -5.311 4.888 1.00 0.18 C ATOM 80 CG1 ILE A 5 3.978 -5.177 4.500 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.972 -6.735 4.576 1.00 0.19 C ATOM 82 CD1 ILE A 5 3.117 -6.053 5.419 1.00 0.44 C ATOM 0 H ILE A 5 5.003 -2.999 5.996 1.00 0.43 H new ATOM 0 HA ILE A 5 5.197 -5.820 6.976 1.00 0.42 H new ATOM 0 HB ILE A 5 6.055 -4.601 4.309 1.00 0.18 H new ATOM 0 HG12 ILE A 5 3.665 -4.136 4.578 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.836 -5.475 3.461 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.853 -6.938 3.512 1.00 0.19 H new ATOM 0 HG22 ILE A 5 7.025 -6.813 4.845 1.00 0.19 H new ATOM 0 HG23 ILE A 5 5.396 -7.460 5.150 1.00 0.19 H new ATOM 0 HD11 ILE A 5 2.068 -5.953 5.139 1.00 0.44 H new ATOM 0 HD12 ILE A 5 3.422 -7.095 5.319 1.00 0.44 H new ATOM 0 HD13 ILE A 5 3.248 -5.734 6.453 1.00 0.44 H new ATOM 94 N GLU A 6 7.826 -5.967 6.659 1.00 0.58 N ATOM 95 CA GLU A 6 9.285 -5.910 6.978 1.00 0.77 C ATOM 96 C GLU A 6 10.005 -7.139 6.412 1.00 0.33 C ATOM 97 O GLU A 6 11.093 -7.473 6.836 1.00 0.86 O ATOM 98 CB GLU A 6 9.465 -5.868 8.494 1.00 1.44 C ATOM 99 CG GLU A 6 8.729 -7.054 9.119 1.00 0.67 C ATOM 100 CD GLU A 6 7.573 -6.536 9.977 1.00 1.90 C ATOM 101 OE1 GLU A 6 6.523 -6.320 9.397 1.00 3.02 O ATOM 102 OE2 GLU A 6 7.806 -6.386 11.166 1.00 2.12 O ATOM 0 H GLU A 6 7.467 -6.886 6.401 1.00 0.58 H new ATOM 0 HA GLU A 6 9.713 -5.015 6.526 1.00 0.77 H new ATOM 0 HB2 GLU A 6 10.524 -5.907 8.748 1.00 1.44 H new ATOM 0 HB3 GLU A 6 9.076 -4.931 8.893 1.00 1.44 H new ATOM 0 HG2 GLU A 6 8.350 -7.714 8.339 1.00 0.67 H new ATOM 0 HG3 GLU A 6 9.415 -7.642 9.729 1.00 0.67 H new ATOM 109 N SER A 7 9.380 -7.783 5.464 1.00 0.57 N ATOM 110 CA SER A 7 10.012 -8.993 4.859 1.00 0.23 C ATOM 111 C SER A 7 9.103 -9.574 3.772 1.00 0.22 C ATOM 112 O SER A 7 7.943 -9.227 3.679 1.00 0.21 O ATOM 113 CB SER A 7 10.235 -10.041 5.948 1.00 0.73 C ATOM 114 OG SER A 7 9.068 -9.961 6.752 1.00 1.35 O ATOM 0 H SER A 7 8.468 -7.528 5.084 1.00 0.57 H new ATOM 0 HA SER A 7 10.966 -8.714 4.412 1.00 0.23 H new ATOM 0 HB2 SER A 7 10.358 -11.037 5.523 1.00 0.73 H new ATOM 0 HB3 SER A 7 11.133 -9.828 6.528 1.00 0.73 H new ATOM 0 HG SER A 7 9.129 -10.610 7.483 1.00 1.35 H new ATOM 120 N LYS A 8 9.650 -10.448 2.972 1.00 0.29 N ATOM 121 CA LYS A 8 8.826 -11.059 1.888 1.00 0.31 C ATOM 122 C LYS A 8 7.828 -12.048 2.483 1.00 0.40 C ATOM 123 O LYS A 8 6.684 -12.107 2.076 1.00 0.28 O ATOM 124 CB LYS A 8 9.745 -11.787 0.907 1.00 0.44 C ATOM 125 CG LYS A 8 8.905 -12.374 -0.230 1.00 0.49 C ATOM 126 CD LYS A 8 9.836 -12.977 -1.285 1.00 0.31 C ATOM 127 CE LYS A 8 8.993 -13.673 -2.356 1.00 0.66 C ATOM 128 NZ LYS A 8 9.861 -14.186 -3.453 1.00 1.06 N ATOM 0 H LYS A 8 10.619 -10.763 3.019 1.00 0.29 H new ATOM 0 HA LYS A 8 8.278 -10.274 1.367 1.00 0.31 H new ATOM 0 HB2 LYS A 8 10.489 -11.098 0.507 1.00 0.44 H new ATOM 0 HB3 LYS A 8 10.289 -12.580 1.420 1.00 0.44 H new ATOM 0 HG2 LYS A 8 8.231 -13.138 0.157 1.00 0.49 H new ATOM 0 HG3 LYS A 8 8.284 -11.598 -0.677 1.00 0.49 H new ATOM 0 HD2 LYS A 8 10.448 -12.197 -1.737 1.00 0.31 H new ATOM 0 HD3 LYS A 8 10.518 -13.689 -0.822 1.00 0.31 H new ATOM 0 HE2 LYS A 8 8.436 -14.497 -1.910 1.00 0.66 H new ATOM 0 HE3 LYS A 8 8.260 -12.975 -2.761 1.00 0.66 H new ATOM 0 HZ1 LYS A 8 9.273 -14.655 -4.171 1.00 1.06 H new ATOM 0 HZ2 LYS A 8 10.374 -13.393 -3.890 1.00 1.06 H new ATOM 0 HZ3 LYS A 8 10.544 -14.868 -3.065 1.00 1.06 H new ATOM 142 N THR A 9 8.285 -12.801 3.432 1.00 0.61 N ATOM 143 CA THR A 9 7.386 -13.796 4.075 1.00 0.75 C ATOM 144 C THR A 9 6.121 -13.108 4.574 1.00 0.71 C ATOM 145 O THR A 9 5.041 -13.662 4.522 1.00 0.75 O ATOM 146 CB THR A 9 8.116 -14.436 5.256 1.00 0.92 C ATOM 147 OG1 THR A 9 9.038 -15.346 4.663 1.00 1.04 O ATOM 148 CG2 THR A 9 7.177 -15.301 6.092 1.00 1.40 C ATOM 0 H THR A 9 9.239 -12.775 3.793 1.00 0.61 H new ATOM 0 HA THR A 9 7.112 -14.560 3.348 1.00 0.75 H new ATOM 0 HB THR A 9 8.554 -13.662 5.886 1.00 0.92 H new ATOM 0 HG1 THR A 9 9.550 -15.798 5.366 1.00 1.04 H new ATOM 0 HG21 THR A 9 7.730 -15.740 6.923 1.00 1.40 H new ATOM 0 HG22 THR A 9 6.365 -14.686 6.481 1.00 1.40 H new ATOM 0 HG23 THR A 9 6.764 -16.096 5.470 1.00 1.40 H new ATOM 156 N ALA A 10 6.288 -11.915 5.049 1.00 0.66 N ATOM 157 CA ALA A 10 5.119 -11.160 5.562 1.00 0.68 C ATOM 158 C ALA A 10 4.246 -10.679 4.405 1.00 0.55 C ATOM 159 O ALA A 10 3.058 -10.927 4.380 1.00 0.57 O ATOM 160 CB ALA A 10 5.611 -9.958 6.359 1.00 0.72 C ATOM 0 H ALA A 10 7.182 -11.428 5.105 1.00 0.66 H new ATOM 0 HA ALA A 10 4.526 -11.814 6.201 1.00 0.68 H new ATOM 0 HB1 ALA A 10 4.756 -9.399 6.739 1.00 0.72 H new ATOM 0 HB2 ALA A 10 6.221 -10.301 7.195 1.00 0.72 H new ATOM 0 HB3 ALA A 10 6.208 -9.314 5.714 1.00 0.72 H new ATOM 166 N PHE A 11 4.845 -9.993 3.475 1.00 0.42 N ATOM 167 CA PHE A 11 4.049 -9.507 2.316 1.00 0.29 C ATOM 168 C PHE A 11 3.186 -10.653 1.782 1.00 0.22 C ATOM 169 O PHE A 11 2.131 -10.437 1.223 1.00 0.12 O ATOM 170 CB PHE A 11 5.007 -9.026 1.225 1.00 0.21 C ATOM 171 CG PHE A 11 4.211 -8.398 0.077 1.00 0.14 C ATOM 172 CD1 PHE A 11 3.468 -7.247 0.284 1.00 0.18 C ATOM 173 CD2 PHE A 11 4.224 -8.970 -1.183 1.00 0.10 C ATOM 174 CE1 PHE A 11 2.752 -6.683 -0.753 1.00 0.17 C ATOM 175 CE2 PHE A 11 3.507 -8.403 -2.217 1.00 0.09 C ATOM 176 CZ PHE A 11 2.773 -7.260 -2.001 1.00 0.13 C ATOM 0 H PHE A 11 5.836 -9.750 3.465 1.00 0.42 H new ATOM 0 HA PHE A 11 3.403 -8.684 2.622 1.00 0.29 H new ATOM 0 HB2 PHE A 11 5.706 -8.298 1.637 1.00 0.21 H new ATOM 0 HB3 PHE A 11 5.600 -9.862 0.854 1.00 0.21 H new ATOM 0 HD1 PHE A 11 3.449 -6.789 1.262 1.00 0.18 H new ATOM 0 HD2 PHE A 11 4.800 -9.867 -1.359 1.00 0.10 H new ATOM 0 HE1 PHE A 11 2.174 -5.787 -0.584 1.00 0.17 H new ATOM 0 HE2 PHE A 11 3.522 -8.857 -3.197 1.00 0.09 H new ATOM 0 HZ PHE A 11 2.214 -6.816 -2.811 1.00 0.13 H new ATOM 186 N GLN A 12 3.667 -11.853 1.969 1.00 0.31 N ATOM 187 CA GLN A 12 2.904 -13.044 1.486 1.00 0.34 C ATOM 188 C GLN A 12 1.734 -13.369 2.417 1.00 0.33 C ATOM 189 O GLN A 12 0.584 -13.275 2.034 1.00 0.41 O ATOM 190 CB GLN A 12 3.846 -14.245 1.419 1.00 0.48 C ATOM 191 CG GLN A 12 4.772 -14.092 0.211 1.00 0.82 C ATOM 192 CD GLN A 12 3.993 -14.407 -1.067 1.00 0.43 C ATOM 193 OE1 GLN A 12 3.911 -13.601 -1.973 1.00 1.44 O ATOM 194 NE2 GLN A 12 3.404 -15.566 -1.181 1.00 0.87 N ATOM 0 H GLN A 12 4.551 -12.061 2.433 1.00 0.31 H new ATOM 0 HA GLN A 12 2.501 -12.820 0.498 1.00 0.34 H new ATOM 0 HB2 GLN A 12 4.432 -14.314 2.335 1.00 0.48 H new ATOM 0 HB3 GLN A 12 3.272 -15.168 1.338 1.00 0.48 H new ATOM 0 HG2 GLN A 12 5.168 -13.077 0.168 1.00 0.82 H new ATOM 0 HG3 GLN A 12 5.625 -14.764 0.305 1.00 0.82 H new ATOM 0 HE21 GLN A 12 3.468 -16.247 -0.425 1.00 0.87 H new ATOM 0 HE22 GLN A 12 2.879 -15.790 -2.026 1.00 0.87 H new ATOM 203 N GLU A 13 2.055 -13.746 3.620 1.00 0.29 N ATOM 204 CA GLU A 13 0.976 -14.112 4.589 1.00 0.26 C ATOM 205 C GLU A 13 0.030 -12.930 4.812 1.00 0.34 C ATOM 206 O GLU A 13 -1.042 -13.086 5.364 1.00 0.69 O ATOM 207 CB GLU A 13 1.608 -14.536 5.921 1.00 0.31 C ATOM 208 CG GLU A 13 2.177 -13.309 6.636 1.00 1.96 C ATOM 209 CD GLU A 13 1.188 -12.841 7.707 1.00 3.10 C ATOM 210 OE1 GLU A 13 0.218 -12.215 7.316 1.00 3.90 O ATOM 211 OE2 GLU A 13 1.461 -13.136 8.859 1.00 3.37 O ATOM 0 H GLU A 13 3.008 -13.818 3.977 1.00 0.29 H new ATOM 0 HA GLU A 13 0.399 -14.941 4.179 1.00 0.26 H new ATOM 0 HB2 GLU A 13 0.862 -15.022 6.550 1.00 0.31 H new ATOM 0 HB3 GLU A 13 2.399 -15.265 5.744 1.00 0.31 H new ATOM 0 HG2 GLU A 13 3.136 -13.553 7.093 1.00 1.96 H new ATOM 0 HG3 GLU A 13 2.359 -12.509 5.919 1.00 1.96 H new ATOM 218 N ALA A 14 0.445 -11.772 4.383 1.00 0.02 N ATOM 219 CA ALA A 14 -0.426 -10.575 4.557 1.00 0.13 C ATOM 220 C ALA A 14 -1.492 -10.549 3.461 1.00 0.21 C ATOM 221 O ALA A 14 -2.609 -10.125 3.682 1.00 0.41 O ATOM 222 CB ALA A 14 0.431 -9.315 4.474 1.00 0.21 C ATOM 0 H ALA A 14 1.340 -11.602 3.924 1.00 0.02 H new ATOM 0 HA ALA A 14 -0.917 -10.618 5.529 1.00 0.13 H new ATOM 0 HB1 ALA A 14 -0.201 -8.436 4.601 1.00 0.21 H new ATOM 0 HB2 ALA A 14 1.186 -9.336 5.260 1.00 0.21 H new ATOM 0 HB3 ALA A 14 0.922 -9.272 3.502 1.00 0.21 H new ATOM 228 N LEU A 15 -1.119 -11.005 2.298 1.00 0.09 N ATOM 229 CA LEU A 15 -2.095 -11.031 1.172 1.00 0.14 C ATOM 230 C LEU A 15 -3.022 -12.236 1.329 1.00 0.18 C ATOM 231 O LEU A 15 -4.034 -12.340 0.665 1.00 0.25 O ATOM 232 CB LEU A 15 -1.326 -11.142 -0.146 1.00 0.10 C ATOM 233 CG LEU A 15 -0.509 -9.860 -0.369 1.00 0.09 C ATOM 234 CD1 LEU A 15 0.471 -10.089 -1.516 1.00 0.29 C ATOM 235 CD2 LEU A 15 -1.435 -8.690 -0.732 1.00 0.30 C ATOM 0 H LEU A 15 -0.188 -11.359 2.079 1.00 0.09 H new ATOM 0 HA LEU A 15 -2.691 -10.118 1.175 1.00 0.14 H new ATOM 0 HB2 LEU A 15 -0.665 -12.008 -0.122 1.00 0.10 H new ATOM 0 HB3 LEU A 15 -2.020 -11.293 -0.973 1.00 0.10 H new ATOM 0 HG LEU A 15 0.027 -9.618 0.549 1.00 0.09 H new ATOM 0 HD11 LEU A 15 1.055 -9.184 -1.681 1.00 0.29 H new ATOM 0 HD12 LEU A 15 1.140 -10.912 -1.264 1.00 0.29 H new ATOM 0 HD13 LEU A 15 -0.081 -10.335 -2.423 1.00 0.29 H new ATOM 0 HD21 LEU A 15 -0.840 -7.790 -0.887 1.00 0.30 H new ATOM 0 HD22 LEU A 15 -1.979 -8.927 -1.646 1.00 0.30 H new ATOM 0 HD23 LEU A 15 -2.144 -8.522 0.079 1.00 0.30 H new ATOM 247 N ASP A 16 -2.650 -13.124 2.208 1.00 0.18 N ATOM 248 CA ASP A 16 -3.491 -14.335 2.435 1.00 0.28 C ATOM 249 C ASP A 16 -4.433 -14.111 3.618 1.00 0.33 C ATOM 250 O ASP A 16 -5.418 -14.805 3.773 1.00 0.37 O ATOM 251 CB ASP A 16 -2.582 -15.529 2.723 1.00 0.30 C ATOM 252 CG ASP A 16 -3.134 -16.768 2.013 1.00 0.50 C ATOM 253 OD1 ASP A 16 -4.239 -17.144 2.363 1.00 1.08 O ATOM 254 OD2 ASP A 16 -2.417 -17.266 1.160 1.00 1.21 O ATOM 0 H ASP A 16 -1.805 -13.066 2.777 1.00 0.18 H new ATOM 0 HA ASP A 16 -4.088 -14.530 1.544 1.00 0.28 H new ATOM 0 HB2 ASP A 16 -1.569 -15.320 2.380 1.00 0.30 H new ATOM 0 HB3 ASP A 16 -2.525 -15.706 3.797 1.00 0.30 H new ATOM 259 N ALA A 17 -4.108 -13.145 4.430 1.00 0.32 N ATOM 260 CA ALA A 17 -4.976 -12.857 5.608 1.00 0.37 C ATOM 261 C ALA A 17 -6.033 -11.815 5.233 1.00 0.35 C ATOM 262 O ALA A 17 -7.006 -11.629 5.938 1.00 0.44 O ATOM 263 CB ALA A 17 -4.114 -12.320 6.749 1.00 0.57 C ATOM 0 H ALA A 17 -3.288 -12.547 4.332 1.00 0.32 H new ATOM 0 HA ALA A 17 -5.474 -13.774 5.923 1.00 0.37 H new ATOM 0 HB1 ALA A 17 -4.744 -12.108 7.613 1.00 0.57 H new ATOM 0 HB2 ALA A 17 -3.365 -13.064 7.020 1.00 0.57 H new ATOM 0 HB3 ALA A 17 -3.617 -11.404 6.429 1.00 0.57 H new ATOM 269 N ALA A 18 -5.816 -11.157 4.128 1.00 0.33 N ATOM 270 CA ALA A 18 -6.793 -10.122 3.685 1.00 0.37 C ATOM 271 C ALA A 18 -7.943 -10.774 2.910 1.00 0.31 C ATOM 272 O ALA A 18 -8.940 -10.141 2.625 1.00 0.40 O ATOM 273 CB ALA A 18 -6.077 -9.118 2.782 1.00 0.41 C ATOM 0 H ALA A 18 -5.011 -11.289 3.516 1.00 0.33 H new ATOM 0 HA ALA A 18 -7.202 -9.616 4.559 1.00 0.37 H new ATOM 0 HB1 ALA A 18 -6.784 -8.356 2.453 1.00 0.41 H new ATOM 0 HB2 ALA A 18 -5.266 -8.645 3.335 1.00 0.41 H new ATOM 0 HB3 ALA A 18 -5.670 -9.636 1.913 1.00 0.41 H new ATOM 279 N GLY A 19 -7.780 -12.028 2.588 1.00 0.46 N ATOM 280 CA GLY A 19 -8.853 -12.732 1.831 1.00 0.62 C ATOM 281 C GLY A 19 -8.883 -12.245 0.383 1.00 0.54 C ATOM 282 O GLY A 19 -7.960 -12.482 -0.372 1.00 0.73 O ATOM 0 H GLY A 19 -6.960 -12.590 2.813 1.00 0.46 H new ATOM 0 HA2 GLY A 19 -8.681 -13.808 1.857 1.00 0.62 H new ATOM 0 HA3 GLY A 19 -9.819 -12.552 2.303 1.00 0.62 H new ATOM 286 N ASP A 20 -9.950 -11.572 0.029 1.00 0.42 N ATOM 287 CA ASP A 20 -10.070 -11.048 -1.370 1.00 0.38 C ATOM 288 C ASP A 20 -10.391 -9.550 -1.348 1.00 0.19 C ATOM 289 O ASP A 20 -10.202 -8.859 -2.331 1.00 0.30 O ATOM 290 CB ASP A 20 -11.192 -11.796 -2.088 1.00 0.48 C ATOM 291 CG ASP A 20 -11.876 -10.849 -3.078 1.00 2.31 C ATOM 292 OD1 ASP A 20 -11.267 -10.609 -4.106 1.00 3.41 O ATOM 293 OD2 ASP A 20 -12.969 -10.420 -2.747 1.00 2.85 O ATOM 0 H ASP A 20 -10.738 -11.363 0.642 1.00 0.42 H new ATOM 0 HA ASP A 20 -9.125 -11.199 -1.892 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -10.790 -12.662 -2.614 1.00 0.48 H new ATOM 0 HB3 ASP A 20 -11.916 -12.170 -1.365 1.00 0.48 H new ATOM 298 N LYS A 21 -10.870 -9.079 -0.229 1.00 0.05 N ATOM 299 CA LYS A 21 -11.206 -7.626 -0.128 1.00 0.21 C ATOM 300 C LYS A 21 -10.079 -6.785 -0.735 1.00 0.22 C ATOM 301 O LYS A 21 -8.955 -7.228 -0.826 1.00 0.16 O ATOM 302 CB LYS A 21 -11.381 -7.253 1.344 1.00 0.39 C ATOM 303 CG LYS A 21 -12.521 -8.079 1.945 1.00 0.38 C ATOM 304 CD LYS A 21 -12.341 -8.152 3.464 1.00 0.41 C ATOM 305 CE LYS A 21 -13.472 -8.988 4.065 1.00 0.49 C ATOM 306 NZ LYS A 21 -13.244 -9.203 5.522 1.00 1.29 N ATOM 0 H LYS A 21 -11.043 -9.629 0.613 1.00 0.05 H new ATOM 0 HA LYS A 21 -12.130 -7.431 -0.673 1.00 0.21 H new ATOM 0 HB2 LYS A 21 -10.456 -7.438 1.890 1.00 0.39 H new ATOM 0 HB3 LYS A 21 -11.599 -6.189 1.438 1.00 0.39 H new ATOM 0 HG2 LYS A 21 -13.482 -7.626 1.702 1.00 0.38 H new ATOM 0 HG3 LYS A 21 -12.524 -9.082 1.518 1.00 0.38 H new ATOM 0 HD2 LYS A 21 -11.376 -8.596 3.707 1.00 0.41 H new ATOM 0 HD3 LYS A 21 -12.347 -7.149 3.892 1.00 0.41 H new ATOM 0 HE2 LYS A 21 -14.426 -8.484 3.911 1.00 0.49 H new ATOM 0 HE3 LYS A 21 -13.533 -9.949 3.555 1.00 0.49 H new ATOM 0 HZ1 LYS A 21 -14.021 -9.772 5.915 1.00 1.29 H new ATOM 0 HZ2 LYS A 21 -12.343 -9.703 5.662 1.00 1.29 H new ATOM 0 HZ3 LYS A 21 -13.209 -8.284 6.007 1.00 1.29 H new ATOM 320 N LEU A 22 -10.406 -5.590 -1.140 1.00 0.32 N ATOM 321 CA LEU A 22 -9.359 -4.707 -1.740 1.00 0.37 C ATOM 322 C LEU A 22 -8.091 -4.724 -0.875 1.00 0.24 C ATOM 323 O LEU A 22 -8.166 -4.607 0.332 1.00 0.27 O ATOM 324 CB LEU A 22 -9.898 -3.277 -1.804 1.00 0.59 C ATOM 325 CG LEU A 22 -10.070 -2.849 -3.265 1.00 0.49 C ATOM 326 CD1 LEU A 22 -10.704 -1.455 -3.298 1.00 1.83 C ATOM 327 CD2 LEU A 22 -8.700 -2.800 -3.956 1.00 1.00 C ATOM 0 H LEU A 22 -11.341 -5.187 -1.084 1.00 0.32 H new ATOM 0 HA LEU A 22 -9.114 -5.068 -2.739 1.00 0.37 H new ATOM 0 HB2 LEU A 22 -10.854 -3.216 -1.283 1.00 0.59 H new ATOM 0 HB3 LEU A 22 -9.214 -2.598 -1.295 1.00 0.59 H new ATOM 0 HG LEU A 22 -10.707 -3.564 -3.785 1.00 0.49 H new ATOM 0 HD11 LEU A 22 -10.832 -1.138 -4.333 1.00 1.83 H new ATOM 0 HD12 LEU A 22 -11.676 -1.485 -2.805 1.00 1.83 H new ATOM 0 HD13 LEU A 22 -10.056 -0.748 -2.780 1.00 1.83 H new ATOM 0 HD21 LEU A 22 -8.827 -2.495 -4.995 1.00 1.00 H new ATOM 0 HD22 LEU A 22 -8.059 -2.083 -3.443 1.00 1.00 H new ATOM 0 HD23 LEU A 22 -8.240 -3.787 -3.921 1.00 1.00 H new ATOM 339 N VAL A 23 -6.954 -4.874 -1.515 1.00 0.16 N ATOM 340 CA VAL A 23 -5.668 -4.885 -0.750 1.00 0.13 C ATOM 341 C VAL A 23 -4.694 -3.894 -1.392 1.00 0.14 C ATOM 342 O VAL A 23 -4.004 -4.223 -2.335 1.00 0.16 O ATOM 343 CB VAL A 23 -5.064 -6.293 -0.790 1.00 0.17 C ATOM 344 CG1 VAL A 23 -4.092 -6.463 0.376 1.00 0.23 C ATOM 345 CG2 VAL A 23 -6.174 -7.332 -0.662 1.00 0.16 C ATOM 0 H VAL A 23 -6.862 -4.988 -2.524 1.00 0.16 H new ATOM 0 HA VAL A 23 -5.853 -4.599 0.285 1.00 0.13 H new ATOM 0 HB VAL A 23 -4.539 -6.430 -1.735 1.00 0.17 H new ATOM 0 HG11 VAL A 23 -3.662 -7.464 0.348 1.00 0.23 H new ATOM 0 HG12 VAL A 23 -3.295 -5.724 0.296 1.00 0.23 H new ATOM 0 HG13 VAL A 23 -4.624 -6.323 1.317 1.00 0.23 H new ATOM 0 HG21 VAL A 23 -5.741 -8.332 -0.691 1.00 0.16 H new ATOM 0 HG22 VAL A 23 -6.698 -7.190 0.283 1.00 0.16 H new ATOM 0 HG23 VAL A 23 -6.877 -7.217 -1.487 1.00 0.16 H new ATOM 355 N VAL A 24 -4.660 -2.701 -0.866 1.00 0.17 N ATOM 356 CA VAL A 24 -3.750 -1.670 -1.451 1.00 0.20 C ATOM 357 C VAL A 24 -2.435 -1.610 -0.668 1.00 0.29 C ATOM 358 O VAL A 24 -2.403 -1.896 0.514 1.00 0.65 O ATOM 359 CB VAL A 24 -4.447 -0.313 -1.394 1.00 0.23 C ATOM 360 CG1 VAL A 24 -3.536 0.749 -2.005 1.00 0.25 C ATOM 361 CG2 VAL A 24 -5.750 -0.381 -2.196 1.00 0.21 C ATOM 0 H VAL A 24 -5.215 -2.395 -0.066 1.00 0.17 H new ATOM 0 HA VAL A 24 -3.523 -1.932 -2.484 1.00 0.20 H new ATOM 0 HB VAL A 24 -4.665 -0.057 -0.357 1.00 0.23 H new ATOM 0 HG11 VAL A 24 -4.031 1.719 -1.966 1.00 0.25 H new ATOM 0 HG12 VAL A 24 -2.603 0.795 -1.443 1.00 0.25 H new ATOM 0 HG13 VAL A 24 -3.323 0.492 -3.043 1.00 0.25 H new ATOM 0 HG21 VAL A 24 -6.251 0.586 -2.158 1.00 0.21 H new ATOM 0 HG22 VAL A 24 -5.527 -0.634 -3.233 1.00 0.21 H new ATOM 0 HG23 VAL A 24 -6.401 -1.144 -1.769 1.00 0.21 H new ATOM 371 N VAL A 25 -1.375 -1.235 -1.350 1.00 0.07 N ATOM 372 CA VAL A 25 -0.045 -1.144 -0.665 1.00 0.12 C ATOM 373 C VAL A 25 0.583 0.227 -0.892 1.00 0.19 C ATOM 374 O VAL A 25 0.615 0.722 -2.002 1.00 0.44 O ATOM 375 CB VAL A 25 0.901 -2.209 -1.229 1.00 0.13 C ATOM 376 CG1 VAL A 25 2.217 -2.173 -0.448 1.00 0.19 C ATOM 377 CG2 VAL A 25 0.283 -3.599 -1.089 1.00 0.12 C ATOM 0 H VAL A 25 -1.374 -0.991 -2.340 1.00 0.07 H new ATOM 0 HA VAL A 25 -0.201 -1.301 0.402 1.00 0.12 H new ATOM 0 HB VAL A 25 1.078 -2.001 -2.284 1.00 0.13 H new ATOM 0 HG11 VAL A 25 2.896 -2.929 -0.844 1.00 0.19 H new ATOM 0 HG12 VAL A 25 2.673 -1.188 -0.548 1.00 0.19 H new ATOM 0 HG13 VAL A 25 2.021 -2.377 0.605 1.00 0.19 H new ATOM 0 HG21 VAL A 25 0.968 -4.344 -1.494 1.00 0.12 H new ATOM 0 HG22 VAL A 25 0.098 -3.811 -0.036 1.00 0.12 H new ATOM 0 HG23 VAL A 25 -0.659 -3.635 -1.637 1.00 0.12 H new ATOM 387 N ASP A 26 1.071 0.810 0.170 1.00 0.07 N ATOM 388 CA ASP A 26 1.722 2.144 0.043 1.00 0.06 C ATOM 389 C ASP A 26 3.242 1.975 0.097 1.00 0.08 C ATOM 390 O ASP A 26 3.834 1.969 1.160 1.00 0.11 O ATOM 391 CB ASP A 26 1.268 3.039 1.190 1.00 0.08 C ATOM 392 CG ASP A 26 2.067 4.343 1.159 1.00 0.13 C ATOM 393 OD1 ASP A 26 2.252 4.837 0.059 1.00 1.20 O ATOM 394 OD2 ASP A 26 2.450 4.769 2.236 1.00 1.20 O ATOM 0 H ASP A 26 1.047 0.423 1.113 1.00 0.07 H new ATOM 0 HA ASP A 26 1.441 2.599 -0.907 1.00 0.06 H new ATOM 0 HB2 ASP A 26 0.202 3.250 1.102 1.00 0.08 H new ATOM 0 HB3 ASP A 26 1.415 2.531 2.143 1.00 0.08 H new ATOM 399 N PHE A 27 3.838 1.826 -1.050 1.00 0.10 N ATOM 400 CA PHE A 27 5.316 1.658 -1.093 1.00 0.12 C ATOM 401 C PHE A 27 6.000 3.014 -0.902 1.00 0.10 C ATOM 402 O PHE A 27 6.228 3.734 -1.854 1.00 0.14 O ATOM 403 CB PHE A 27 5.703 1.073 -2.444 1.00 0.15 C ATOM 404 CG PHE A 27 5.378 -0.422 -2.464 1.00 0.16 C ATOM 405 CD1 PHE A 27 6.262 -1.340 -1.921 1.00 0.18 C ATOM 406 CD2 PHE A 27 4.196 -0.878 -3.025 1.00 0.16 C ATOM 407 CE1 PHE A 27 5.971 -2.687 -1.942 1.00 0.20 C ATOM 408 CE2 PHE A 27 3.914 -2.232 -3.042 1.00 0.18 C ATOM 409 CZ PHE A 27 4.801 -3.131 -2.502 1.00 0.20 C ATOM 0 H PHE A 27 3.370 1.813 -1.956 1.00 0.10 H new ATOM 0 HA PHE A 27 5.634 0.989 -0.294 1.00 0.12 H new ATOM 0 HB2 PHE A 27 5.164 1.584 -3.242 1.00 0.15 H new ATOM 0 HB3 PHE A 27 6.766 1.228 -2.628 1.00 0.15 H new ATOM 0 HD1 PHE A 27 7.186 -0.998 -1.478 1.00 0.18 H new ATOM 0 HD2 PHE A 27 3.494 -0.175 -3.449 1.00 0.16 H new ATOM 0 HE1 PHE A 27 6.667 -3.395 -1.516 1.00 0.20 H new ATOM 0 HE2 PHE A 27 2.992 -2.584 -3.482 1.00 0.18 H new ATOM 0 HZ PHE A 27 4.577 -4.187 -2.519 1.00 0.20 H new ATOM 419 N SER A 28 6.306 3.333 0.328 1.00 0.12 N ATOM 420 CA SER A 28 6.969 4.641 0.607 1.00 0.10 C ATOM 421 C SER A 28 8.060 4.470 1.668 1.00 0.11 C ATOM 422 O SER A 28 8.429 3.362 2.007 1.00 0.22 O ATOM 423 CB SER A 28 5.922 5.634 1.107 1.00 0.07 C ATOM 424 OG SER A 28 5.894 5.427 2.512 1.00 0.90 O ATOM 0 H SER A 28 6.127 2.750 1.146 1.00 0.12 H new ATOM 0 HA SER A 28 7.428 5.012 -0.309 1.00 0.10 H new ATOM 0 HB2 SER A 28 6.195 6.660 0.860 1.00 0.07 H new ATOM 0 HB3 SER A 28 4.947 5.447 0.657 1.00 0.07 H new ATOM 0 HG SER A 28 5.240 6.033 2.919 1.00 0.90 H new ATOM 430 N ALA A 29 8.550 5.578 2.170 1.00 0.17 N ATOM 431 CA ALA A 29 9.622 5.509 3.212 1.00 0.17 C ATOM 432 C ALA A 29 9.061 5.907 4.581 1.00 0.24 C ATOM 433 O ALA A 29 8.472 6.959 4.732 1.00 0.22 O ATOM 434 CB ALA A 29 10.748 6.469 2.830 1.00 0.18 C ATOM 0 H ALA A 29 8.257 6.519 1.906 1.00 0.17 H new ATOM 0 HA ALA A 29 10.000 4.488 3.270 1.00 0.17 H new ATOM 0 HB1 ALA A 29 11.534 6.426 3.584 1.00 0.18 H new ATOM 0 HB2 ALA A 29 11.158 6.182 1.861 1.00 0.18 H new ATOM 0 HB3 ALA A 29 10.356 7.485 2.772 1.00 0.18 H new ATOM 440 N THR A 30 9.255 5.055 5.551 1.00 0.38 N ATOM 441 CA THR A 30 8.744 5.371 6.917 1.00 0.46 C ATOM 442 C THR A 30 9.779 6.202 7.679 1.00 0.55 C ATOM 443 O THR A 30 9.450 6.931 8.593 1.00 0.71 O ATOM 444 CB THR A 30 8.483 4.064 7.671 1.00 0.55 C ATOM 445 OG1 THR A 30 7.673 4.441 8.781 1.00 0.67 O ATOM 446 CG2 THR A 30 9.766 3.503 8.279 1.00 0.59 C ATOM 0 H THR A 30 9.740 4.162 5.460 1.00 0.38 H new ATOM 0 HA THR A 30 7.818 5.941 6.835 1.00 0.46 H new ATOM 0 HB THR A 30 8.048 3.326 6.997 1.00 0.55 H new ATOM 0 HG1 THR A 30 7.461 3.648 9.316 1.00 0.67 H new ATOM 0 HG21 THR A 30 9.543 2.575 8.806 1.00 0.59 H new ATOM 0 HG22 THR A 30 10.488 3.306 7.487 1.00 0.59 H new ATOM 0 HG23 THR A 30 10.184 4.227 8.979 1.00 0.59 H new ATOM 454 N TRP A 31 11.008 6.069 7.277 1.00 0.50 N ATOM 455 CA TRP A 31 12.099 6.833 7.949 1.00 0.58 C ATOM 456 C TRP A 31 12.103 8.285 7.464 1.00 0.54 C ATOM 457 O TRP A 31 12.201 9.208 8.249 1.00 0.62 O ATOM 458 CB TRP A 31 13.425 6.183 7.581 1.00 0.61 C ATOM 459 CG TRP A 31 13.511 6.096 6.055 1.00 0.51 C ATOM 460 CD1 TRP A 31 13.025 5.086 5.341 1.00 0.47 C ATOM 461 CD2 TRP A 31 14.041 7.020 5.266 1.00 0.45 C ATOM 462 NE1 TRP A 31 13.284 5.438 4.074 1.00 0.39 N ATOM 463 CE2 TRP A 31 13.923 6.648 3.939 1.00 0.36 C ATOM 464 CE3 TRP A 31 14.639 8.235 5.580 1.00 0.49 C ATOM 465 CZ2 TRP A 31 14.396 7.470 2.942 1.00 0.29 C ATOM 466 CZ3 TRP A 31 15.112 9.054 4.575 1.00 0.43 C ATOM 467 CH2 TRP A 31 14.989 8.672 3.259 1.00 0.33 C ATOM 0 H TRP A 31 11.308 5.465 6.512 1.00 0.50 H new ATOM 0 HA TRP A 31 11.947 6.823 9.028 1.00 0.58 H new ATOM 0 HB2 TRP A 31 14.256 6.767 7.975 1.00 0.61 H new ATOM 0 HB3 TRP A 31 13.496 5.189 8.023 1.00 0.61 H new ATOM 0 HD1 TRP A 31 12.536 4.192 5.698 1.00 0.47 H new ATOM 0 HE1 TRP A 31 13.028 4.856 3.276 1.00 0.39 H new ATOM 0 HE3 TRP A 31 14.734 8.539 6.612 1.00 0.49 H new ATOM 0 HZ2 TRP A 31 14.302 7.172 1.908 1.00 0.29 H new ATOM 0 HZ3 TRP A 31 15.579 9.996 4.822 1.00 0.43 H new ATOM 0 HH2 TRP A 31 15.358 9.315 2.474 1.00 0.33 H new ATOM 478 N CYS A 32 11.997 8.452 6.176 1.00 0.45 N ATOM 479 CA CYS A 32 12.009 9.827 5.603 1.00 0.45 C ATOM 480 C CYS A 32 10.952 10.704 6.285 1.00 0.47 C ATOM 481 O CYS A 32 10.153 10.227 7.067 1.00 0.52 O ATOM 482 CB CYS A 32 11.718 9.745 4.109 1.00 0.35 C ATOM 483 SG CYS A 32 11.880 11.271 3.146 1.00 0.46 S ATOM 0 H CYS A 32 11.903 7.698 5.496 1.00 0.45 H new ATOM 0 HA CYS A 32 12.989 10.274 5.769 1.00 0.45 H new ATOM 0 HB2 CYS A 32 12.386 9.000 3.676 1.00 0.35 H new ATOM 0 HB3 CYS A 32 10.701 9.373 3.983 1.00 0.35 H new ATOM 0 HG CYS A 32 12.107 10.976 1.900 1.00 0.46 H new ATOM 489 N GLY A 33 10.979 11.971 5.966 1.00 0.45 N ATOM 490 CA GLY A 33 9.991 12.910 6.580 1.00 0.47 C ATOM 491 C GLY A 33 8.822 13.194 5.619 1.00 0.47 C ATOM 492 O GLY A 33 7.709 12.767 5.850 1.00 0.48 O ATOM 0 H GLY A 33 11.637 12.395 5.312 1.00 0.45 H new ATOM 0 HA2 GLY A 33 9.608 12.484 7.507 1.00 0.47 H new ATOM 0 HA3 GLY A 33 10.487 13.845 6.840 1.00 0.47 H new ATOM 496 N PRO A 34 9.107 13.919 4.552 1.00 0.46 N ATOM 497 CA PRO A 34 8.084 14.269 3.556 1.00 0.47 C ATOM 498 C PRO A 34 7.287 13.034 3.112 1.00 0.46 C ATOM 499 O PRO A 34 6.100 13.118 2.874 1.00 0.62 O ATOM 500 CB PRO A 34 8.861 14.869 2.380 1.00 0.45 C ATOM 501 CG PRO A 34 10.335 15.056 2.850 1.00 0.43 C ATOM 502 CD PRO A 34 10.454 14.428 4.254 1.00 0.44 C ATOM 0 HA PRO A 34 7.351 14.966 3.962 1.00 0.47 H new ATOM 0 HB2 PRO A 34 8.814 14.211 1.512 1.00 0.45 H new ATOM 0 HB3 PRO A 34 8.429 15.824 2.080 1.00 0.45 H new ATOM 0 HG2 PRO A 34 11.024 14.576 2.155 1.00 0.43 H new ATOM 0 HG3 PRO A 34 10.598 16.114 2.879 1.00 0.43 H new ATOM 0 HD2 PRO A 34 11.192 13.626 4.268 1.00 0.44 H new ATOM 0 HD3 PRO A 34 10.771 15.165 4.992 1.00 0.44 H new ATOM 510 N CYS A 35 7.950 11.913 3.005 1.00 0.28 N ATOM 511 CA CYS A 35 7.216 10.682 2.584 1.00 0.26 C ATOM 512 C CYS A 35 6.176 10.315 3.643 1.00 0.27 C ATOM 513 O CYS A 35 5.157 9.726 3.338 1.00 0.37 O ATOM 514 CB CYS A 35 8.203 9.529 2.417 1.00 0.26 C ATOM 515 SG CYS A 35 9.736 9.868 1.518 1.00 0.45 S ATOM 0 H CYS A 35 8.947 11.795 3.186 1.00 0.28 H new ATOM 0 HA CYS A 35 6.714 10.870 1.635 1.00 0.26 H new ATOM 0 HB2 CYS A 35 8.468 9.166 3.410 1.00 0.26 H new ATOM 0 HB3 CYS A 35 7.687 8.715 1.908 1.00 0.26 H new ATOM 0 HG CYS A 35 10.519 10.598 2.256 1.00 0.45 H new ATOM 521 N LYS A 36 6.455 10.672 4.867 1.00 0.21 N ATOM 522 CA LYS A 36 5.493 10.359 5.956 1.00 0.23 C ATOM 523 C LYS A 36 4.541 11.542 6.165 1.00 0.20 C ATOM 524 O LYS A 36 3.674 11.504 7.015 1.00 0.28 O ATOM 525 CB LYS A 36 6.271 10.085 7.242 1.00 0.25 C ATOM 526 CG LYS A 36 5.286 9.738 8.363 1.00 0.41 C ATOM 527 CD LYS A 36 5.997 8.886 9.415 1.00 0.37 C ATOM 528 CE LYS A 36 7.258 9.616 9.882 1.00 0.87 C ATOM 529 NZ LYS A 36 7.600 9.221 11.278 1.00 1.44 N ATOM 0 H LYS A 36 7.301 11.163 5.156 1.00 0.21 H new ATOM 0 HA LYS A 36 4.907 9.480 5.687 1.00 0.23 H new ATOM 0 HB2 LYS A 36 6.971 9.263 7.090 1.00 0.25 H new ATOM 0 HB3 LYS A 36 6.861 10.959 7.518 1.00 0.25 H new ATOM 0 HG2 LYS A 36 4.899 10.650 8.818 1.00 0.41 H new ATOM 0 HG3 LYS A 36 4.431 9.197 7.957 1.00 0.41 H new ATOM 0 HD2 LYS A 36 5.334 8.702 10.261 1.00 0.37 H new ATOM 0 HD3 LYS A 36 6.258 7.914 8.997 1.00 0.37 H new ATOM 0 HE2 LYS A 36 8.089 9.381 9.217 1.00 0.87 H new ATOM 0 HE3 LYS A 36 7.102 10.694 9.830 1.00 0.87 H new ATOM 0 HZ1 LYS A 36 8.458 9.725 11.581 1.00 1.44 H new ATOM 0 HZ2 LYS A 36 6.812 9.467 11.911 1.00 1.44 H new ATOM 0 HZ3 LYS A 36 7.769 8.195 11.317 1.00 1.44 H new ATOM 543 N MET A 37 4.729 12.573 5.384 1.00 0.13 N ATOM 544 CA MET A 37 3.840 13.764 5.517 1.00 0.12 C ATOM 545 C MET A 37 2.505 13.492 4.817 1.00 0.11 C ATOM 546 O MET A 37 1.508 14.121 5.109 1.00 0.17 O ATOM 547 CB MET A 37 4.516 14.974 4.877 1.00 0.08 C ATOM 548 CG MET A 37 3.582 16.181 4.976 1.00 0.74 C ATOM 549 SD MET A 37 4.326 17.824 4.826 1.00 0.92 S ATOM 550 CE MET A 37 2.815 18.781 5.106 1.00 1.64 C ATOM 0 H MET A 37 5.451 12.642 4.667 1.00 0.13 H new ATOM 0 HA MET A 37 3.657 13.964 6.573 1.00 0.12 H new ATOM 0 HB2 MET A 37 5.460 15.187 5.379 1.00 0.08 H new ATOM 0 HB3 MET A 37 4.751 14.765 3.833 1.00 0.08 H new ATOM 0 HG2 MET A 37 2.822 16.083 4.201 1.00 0.74 H new ATOM 0 HG3 MET A 37 3.067 16.131 5.935 1.00 0.74 H new ATOM 0 HE1 MET A 37 3.044 19.846 5.057 1.00 1.64 H new ATOM 0 HE2 MET A 37 2.080 18.532 4.341 1.00 1.64 H new ATOM 0 HE3 MET A 37 2.410 18.542 6.089 1.00 1.64 H new ATOM 560 N ILE A 38 2.525 12.563 3.900 1.00 0.08 N ATOM 561 CA ILE A 38 1.269 12.212 3.174 1.00 0.11 C ATOM 562 C ILE A 38 0.665 10.957 3.802 1.00 0.18 C ATOM 563 O ILE A 38 -0.326 10.433 3.337 1.00 0.20 O ATOM 564 CB ILE A 38 1.598 11.948 1.702 1.00 0.13 C ATOM 565 CG1 ILE A 38 2.197 13.227 1.063 1.00 0.23 C ATOM 566 CG2 ILE A 38 0.325 11.513 0.964 1.00 0.27 C ATOM 567 CD1 ILE A 38 1.097 14.240 0.683 1.00 1.06 C ATOM 0 H ILE A 38 3.352 12.034 3.623 1.00 0.08 H new ATOM 0 HA ILE A 38 0.554 13.032 3.243 1.00 0.11 H new ATOM 0 HB ILE A 38 2.335 11.148 1.626 1.00 0.13 H new ATOM 0 HG12 ILE A 38 2.894 13.691 1.761 1.00 0.23 H new ATOM 0 HG13 ILE A 38 2.767 12.958 0.174 1.00 0.23 H new ATOM 0 HG21 ILE A 38 0.558 11.325 -0.084 1.00 0.27 H new ATOM 0 HG22 ILE A 38 -0.066 10.602 1.418 1.00 0.27 H new ATOM 0 HG23 ILE A 38 -0.423 12.302 1.033 1.00 0.27 H new ATOM 0 HD11 ILE A 38 1.554 15.124 0.238 1.00 1.06 H new ATOM 0 HD12 ILE A 38 0.415 13.784 -0.035 1.00 1.06 H new ATOM 0 HD13 ILE A 38 0.544 14.529 1.577 1.00 1.06 H new ATOM 579 N LYS A 39 1.294 10.504 4.847 1.00 0.30 N ATOM 580 CA LYS A 39 0.789 9.301 5.550 1.00 0.36 C ATOM 581 C LYS A 39 -0.544 9.582 6.277 1.00 0.29 C ATOM 582 O LYS A 39 -1.436 8.774 6.236 1.00 0.25 O ATOM 583 CB LYS A 39 1.827 8.844 6.563 1.00 0.50 C ATOM 584 CG LYS A 39 2.147 7.367 6.315 1.00 1.15 C ATOM 585 CD LYS A 39 3.143 6.877 7.371 1.00 1.28 C ATOM 586 CE LYS A 39 2.942 5.376 7.589 1.00 1.62 C ATOM 587 NZ LYS A 39 4.122 4.788 8.281 1.00 1.95 N ATOM 0 H LYS A 39 2.138 10.917 5.244 1.00 0.30 H new ATOM 0 HA LYS A 39 0.610 8.524 4.807 1.00 0.36 H new ATOM 0 HB2 LYS A 39 2.731 9.446 6.473 1.00 0.50 H new ATOM 0 HB3 LYS A 39 1.451 8.983 7.577 1.00 0.50 H new ATOM 0 HG2 LYS A 39 1.234 6.774 6.358 1.00 1.15 H new ATOM 0 HG3 LYS A 39 2.565 7.237 5.317 1.00 1.15 H new ATOM 0 HD2 LYS A 39 4.164 7.077 7.046 1.00 1.28 H new ATOM 0 HD3 LYS A 39 2.995 7.416 8.307 1.00 1.28 H new ATOM 0 HE2 LYS A 39 2.043 5.206 8.181 1.00 1.62 H new ATOM 0 HE3 LYS A 39 2.791 4.880 6.630 1.00 1.62 H new ATOM 0 HZ1 LYS A 39 3.955 3.776 8.452 1.00 1.95 H new ATOM 0 HZ2 LYS A 39 4.967 4.904 7.686 1.00 1.95 H new ATOM 0 HZ3 LYS A 39 4.269 5.273 9.189 1.00 1.95 H new ATOM 601 N PRO A 40 -0.657 10.725 6.943 1.00 0.33 N ATOM 602 CA PRO A 40 -1.893 11.056 7.663 1.00 0.35 C ATOM 603 C PRO A 40 -3.089 11.072 6.702 1.00 0.27 C ATOM 604 O PRO A 40 -4.214 11.286 7.109 1.00 0.33 O ATOM 605 CB PRO A 40 -1.646 12.439 8.275 1.00 0.44 C ATOM 606 CG PRO A 40 -0.147 12.786 8.029 1.00 0.48 C ATOM 607 CD PRO A 40 0.403 11.746 7.037 1.00 0.39 C ATOM 0 HA PRO A 40 -2.132 10.320 8.431 1.00 0.35 H new ATOM 0 HB2 PRO A 40 -2.295 13.185 7.816 1.00 0.44 H new ATOM 0 HB3 PRO A 40 -1.871 12.434 9.342 1.00 0.44 H new ATOM 0 HG2 PRO A 40 -0.046 13.794 7.626 1.00 0.48 H new ATOM 0 HG3 PRO A 40 0.413 12.760 8.964 1.00 0.48 H new ATOM 0 HD2 PRO A 40 0.608 12.195 6.065 1.00 0.39 H new ATOM 0 HD3 PRO A 40 1.339 11.315 7.393 1.00 0.39 H new ATOM 615 N PHE A 41 -2.811 10.843 5.442 1.00 0.16 N ATOM 616 CA PHE A 41 -3.910 10.814 4.430 1.00 0.14 C ATOM 617 C PHE A 41 -4.216 9.358 4.050 1.00 0.09 C ATOM 618 O PHE A 41 -5.359 8.952 3.996 1.00 0.10 O ATOM 619 CB PHE A 41 -3.468 11.589 3.188 1.00 0.13 C ATOM 620 CG PHE A 41 -3.533 13.089 3.481 1.00 0.19 C ATOM 621 CD1 PHE A 41 -2.508 13.717 4.166 1.00 0.20 C ATOM 622 CD2 PHE A 41 -4.620 13.839 3.063 1.00 0.24 C ATOM 623 CE1 PHE A 41 -2.568 15.070 4.429 1.00 0.26 C ATOM 624 CE2 PHE A 41 -4.677 15.192 3.328 1.00 0.30 C ATOM 625 CZ PHE A 41 -3.653 15.807 4.010 1.00 0.31 C ATOM 0 H PHE A 41 -1.875 10.676 5.073 1.00 0.16 H new ATOM 0 HA PHE A 41 -4.807 11.273 4.846 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -2.453 11.304 2.909 1.00 0.13 H new ATOM 0 HB3 PHE A 41 -4.111 11.343 2.343 1.00 0.13 H new ATOM 0 HD1 PHE A 41 -1.655 13.144 4.497 1.00 0.20 H new ATOM 0 HD2 PHE A 41 -5.427 13.362 2.527 1.00 0.24 H new ATOM 0 HE1 PHE A 41 -1.763 15.552 4.964 1.00 0.26 H new ATOM 0 HE2 PHE A 41 -5.528 15.770 2.999 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.700 16.866 4.216 1.00 0.31 H new ATOM 635 N PHE A 42 -3.176 8.605 3.795 1.00 0.04 N ATOM 636 CA PHE A 42 -3.373 7.167 3.434 1.00 0.02 C ATOM 637 C PHE A 42 -3.582 6.348 4.709 1.00 0.05 C ATOM 638 O PHE A 42 -4.156 5.276 4.690 1.00 0.11 O ATOM 639 CB PHE A 42 -2.122 6.659 2.714 1.00 0.02 C ATOM 640 CG PHE A 42 -2.254 5.153 2.469 1.00 0.01 C ATOM 641 CD1 PHE A 42 -3.175 4.676 1.558 1.00 0.06 C ATOM 642 CD2 PHE A 42 -1.455 4.248 3.153 1.00 0.07 C ATOM 643 CE1 PHE A 42 -3.298 3.324 1.329 1.00 0.05 C ATOM 644 CE2 PHE A 42 -1.585 2.895 2.925 1.00 0.08 C ATOM 645 CZ PHE A 42 -2.505 2.433 2.013 1.00 0.02 C ATOM 0 H PHE A 42 -2.206 8.920 3.821 1.00 0.04 H new ATOM 0 HA PHE A 42 -4.244 7.066 2.786 1.00 0.02 H new ATOM 0 HB2 PHE A 42 -1.996 7.183 1.767 1.00 0.02 H new ATOM 0 HB3 PHE A 42 -1.235 6.865 3.313 1.00 0.02 H new ATOM 0 HD1 PHE A 42 -3.805 5.369 1.020 1.00 0.06 H new ATOM 0 HD2 PHE A 42 -0.728 4.605 3.867 1.00 0.07 H new ATOM 0 HE1 PHE A 42 -4.019 2.963 0.611 1.00 0.05 H new ATOM 0 HE2 PHE A 42 -0.963 2.196 3.464 1.00 0.08 H new ATOM 0 HZ PHE A 42 -2.604 1.373 1.834 1.00 0.02 H new ATOM 655 N HIS A 43 -3.102 6.888 5.786 1.00 0.13 N ATOM 656 CA HIS A 43 -3.215 6.196 7.100 1.00 0.15 C ATOM 657 C HIS A 43 -4.560 6.526 7.766 1.00 0.16 C ATOM 658 O HIS A 43 -4.918 5.943 8.770 1.00 0.19 O ATOM 659 CB HIS A 43 -2.067 6.691 7.984 1.00 0.16 C ATOM 660 CG HIS A 43 -1.878 5.754 9.175 1.00 0.17 C ATOM 661 ND1 HIS A 43 -2.717 4.912 9.571 1.00 0.18 N ATOM 662 CD2 HIS A 43 -0.797 5.628 10.032 1.00 0.17 C ATOM 663 CE1 HIS A 43 -2.286 4.270 10.578 1.00 0.19 C ATOM 664 NE2 HIS A 43 -1.066 4.662 10.946 1.00 0.19 N ATOM 0 H HIS A 43 -2.629 7.791 5.817 1.00 0.13 H new ATOM 0 HA HIS A 43 -3.162 5.116 6.962 1.00 0.15 H new ATOM 0 HB2 HIS A 43 -1.146 6.742 7.403 1.00 0.16 H new ATOM 0 HB3 HIS A 43 -2.278 7.701 8.336 1.00 0.16 H new ATOM 0 HD1 HIS A 43 -3.629 4.762 9.140 1.00 0.18 H new ATOM 0 HD2 HIS A 43 0.114 6.206 9.981 1.00 0.17 H new ATOM 0 HE1 HIS A 43 -2.845 3.494 11.080 1.00 0.19 H new ATOM 672 N SER A 44 -5.276 7.454 7.189 1.00 0.26 N ATOM 673 CA SER A 44 -6.590 7.846 7.785 1.00 0.28 C ATOM 674 C SER A 44 -7.699 6.877 7.368 1.00 0.27 C ATOM 675 O SER A 44 -8.530 6.500 8.169 1.00 0.57 O ATOM 676 CB SER A 44 -6.947 9.257 7.316 1.00 0.45 C ATOM 677 OG SER A 44 -6.685 10.074 8.447 1.00 0.92 O ATOM 0 H SER A 44 -5.013 7.954 6.340 1.00 0.26 H new ATOM 0 HA SER A 44 -6.502 7.815 8.871 1.00 0.28 H new ATOM 0 HB2 SER A 44 -6.344 9.557 6.459 1.00 0.45 H new ATOM 0 HB3 SER A 44 -7.991 9.323 7.010 1.00 0.45 H new ATOM 0 HG SER A 44 -5.882 10.612 8.283 1.00 0.92 H new ATOM 683 N LEU A 45 -7.687 6.498 6.130 1.00 0.51 N ATOM 684 CA LEU A 45 -8.743 5.559 5.640 1.00 0.48 C ATOM 685 C LEU A 45 -8.833 4.333 6.553 1.00 0.38 C ATOM 686 O LEU A 45 -9.779 3.573 6.484 1.00 0.45 O ATOM 687 CB LEU A 45 -8.404 5.111 4.220 1.00 0.57 C ATOM 688 CG LEU A 45 -8.222 6.343 3.335 1.00 0.78 C ATOM 689 CD1 LEU A 45 -6.740 6.520 3.026 1.00 1.03 C ATOM 690 CD2 LEU A 45 -8.987 6.142 2.027 1.00 1.73 C ATOM 0 H LEU A 45 -7.001 6.790 5.433 1.00 0.51 H new ATOM 0 HA LEU A 45 -9.704 6.074 5.647 1.00 0.48 H new ATOM 0 HB2 LEU A 45 -7.493 4.512 4.222 1.00 0.57 H new ATOM 0 HB3 LEU A 45 -9.200 4.479 3.825 1.00 0.57 H new ATOM 0 HG LEU A 45 -8.601 7.226 3.850 1.00 0.78 H new ATOM 0 HD11 LEU A 45 -6.602 7.398 2.394 1.00 1.03 H new ATOM 0 HD12 LEU A 45 -6.188 6.652 3.956 1.00 1.03 H new ATOM 0 HD13 LEU A 45 -6.369 5.637 2.506 1.00 1.03 H new ATOM 0 HD21 LEU A 45 -8.860 7.019 1.393 1.00 1.73 H new ATOM 0 HD22 LEU A 45 -8.602 5.262 1.512 1.00 1.73 H new ATOM 0 HD23 LEU A 45 -10.046 6.001 2.243 1.00 1.73 H new ATOM 702 N SER A 46 -7.848 4.165 7.389 1.00 0.29 N ATOM 703 CA SER A 46 -7.866 2.992 8.312 1.00 0.21 C ATOM 704 C SER A 46 -9.230 2.883 9.003 1.00 0.18 C ATOM 705 O SER A 46 -9.638 1.811 9.406 1.00 0.11 O ATOM 706 CB SER A 46 -6.773 3.169 9.365 1.00 0.31 C ATOM 707 OG SER A 46 -7.362 2.683 10.562 1.00 1.04 O ATOM 0 H SER A 46 -7.039 4.780 7.475 1.00 0.29 H new ATOM 0 HA SER A 46 -7.688 2.081 7.740 1.00 0.21 H new ATOM 0 HB2 SER A 46 -5.875 2.607 9.106 1.00 0.31 H new ATOM 0 HB3 SER A 46 -6.478 4.214 9.462 1.00 0.31 H new ATOM 0 HG SER A 46 -6.719 2.760 11.298 1.00 1.04 H new ATOM 713 N GLU A 47 -9.906 3.999 9.121 1.00 0.37 N ATOM 714 CA GLU A 47 -11.247 3.989 9.783 1.00 0.40 C ATOM 715 C GLU A 47 -12.359 4.154 8.741 1.00 0.43 C ATOM 716 O GLU A 47 -13.370 3.483 8.800 1.00 0.46 O ATOM 717 CB GLU A 47 -11.317 5.144 10.783 1.00 0.47 C ATOM 718 CG GLU A 47 -10.502 4.782 12.026 1.00 0.52 C ATOM 719 CD GLU A 47 -9.735 6.015 12.505 1.00 1.32 C ATOM 720 OE1 GLU A 47 -8.708 6.283 11.903 1.00 2.56 O ATOM 721 OE2 GLU A 47 -10.220 6.623 13.445 1.00 1.47 O ATOM 0 H GLU A 47 -9.590 4.911 8.790 1.00 0.37 H new ATOM 0 HA GLU A 47 -11.384 3.037 10.296 1.00 0.40 H new ATOM 0 HB2 GLU A 47 -10.928 6.056 10.331 1.00 0.47 H new ATOM 0 HB3 GLU A 47 -12.353 5.341 11.057 1.00 0.47 H new ATOM 0 HG2 GLU A 47 -11.162 4.421 12.815 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -9.807 3.974 11.797 1.00 0.52 H new ATOM 728 N LYS A 48 -12.148 5.044 7.809 1.00 0.44 N ATOM 729 CA LYS A 48 -13.189 5.263 6.761 1.00 0.47 C ATOM 730 C LYS A 48 -13.598 3.928 6.130 1.00 0.44 C ATOM 731 O LYS A 48 -14.723 3.494 6.267 1.00 0.44 O ATOM 732 CB LYS A 48 -12.634 6.187 5.686 1.00 0.55 C ATOM 733 CG LYS A 48 -13.779 7.049 5.136 1.00 0.63 C ATOM 734 CD LYS A 48 -14.207 8.096 6.177 1.00 0.72 C ATOM 735 CE LYS A 48 -14.119 9.489 5.550 1.00 0.79 C ATOM 736 NZ LYS A 48 -12.734 9.758 5.068 1.00 1.87 N ATOM 0 H LYS A 48 -11.312 5.622 7.727 1.00 0.44 H new ATOM 0 HA LYS A 48 -14.067 5.717 7.221 1.00 0.47 H new ATOM 0 HB2 LYS A 48 -11.850 6.821 6.101 1.00 0.55 H new ATOM 0 HB3 LYS A 48 -12.181 5.604 4.884 1.00 0.55 H new ATOM 0 HG2 LYS A 48 -13.461 7.546 4.220 1.00 0.63 H new ATOM 0 HG3 LYS A 48 -14.628 6.416 4.877 1.00 0.63 H new ATOM 0 HD2 LYS A 48 -15.225 7.898 6.513 1.00 0.72 H new ATOM 0 HD3 LYS A 48 -13.564 8.038 7.056 1.00 0.72 H new ATOM 0 HE2 LYS A 48 -14.821 9.565 4.719 1.00 0.79 H new ATOM 0 HE3 LYS A 48 -14.408 10.243 6.282 1.00 0.79 H new ATOM 0 HZ1 LYS A 48 -12.496 10.757 5.234 1.00 1.87 H new ATOM 0 HZ2 LYS A 48 -12.063 9.152 5.583 1.00 1.87 H new ATOM 0 HZ3 LYS A 48 -12.675 9.553 4.050 1.00 1.87 H new ATOM 750 N TYR A 49 -12.674 3.307 5.450 1.00 0.44 N ATOM 751 CA TYR A 49 -12.997 2.001 4.804 1.00 0.47 C ATOM 752 C TYR A 49 -12.611 0.842 5.723 1.00 0.36 C ATOM 753 O TYR A 49 -11.496 0.360 5.685 1.00 0.37 O ATOM 754 CB TYR A 49 -12.221 1.884 3.496 1.00 0.56 C ATOM 755 CG TYR A 49 -12.874 2.771 2.438 1.00 0.57 C ATOM 756 CD1 TYR A 49 -14.024 2.365 1.797 1.00 0.61 C ATOM 757 CD2 TYR A 49 -12.319 3.991 2.108 1.00 0.57 C ATOM 758 CE1 TYR A 49 -14.614 3.167 0.841 1.00 0.62 C ATOM 759 CE2 TYR A 49 -12.908 4.793 1.153 1.00 0.58 C ATOM 760 CZ TYR A 49 -14.060 4.386 0.512 1.00 0.58 C ATOM 761 OH TYR A 49 -14.651 5.188 -0.444 1.00 0.59 O ATOM 0 H TYR A 49 -11.720 3.641 5.314 1.00 0.44 H new ATOM 0 HA TYR A 49 -14.069 1.957 4.610 1.00 0.47 H new ATOM 0 HB2 TYR A 49 -11.184 2.183 3.648 1.00 0.56 H new ATOM 0 HB3 TYR A 49 -12.208 0.847 3.160 1.00 0.56 H new ATOM 0 HD1 TYR A 49 -14.467 1.412 2.044 1.00 0.61 H new ATOM 0 HD2 TYR A 49 -11.416 4.320 2.601 1.00 0.57 H new ATOM 0 HE1 TYR A 49 -15.516 2.837 0.347 1.00 0.62 H new ATOM 0 HE2 TYR A 49 -12.464 5.746 0.905 1.00 0.58 H new ATOM 0 HH TYR A 49 -14.512 6.130 -0.212 1.00 0.59 H new ATOM 771 N SER A 50 -13.540 0.418 6.533 1.00 0.33 N ATOM 772 CA SER A 50 -13.239 -0.713 7.455 1.00 0.31 C ATOM 773 C SER A 50 -13.388 -2.045 6.716 1.00 0.39 C ATOM 774 O SER A 50 -13.046 -3.090 7.235 1.00 0.43 O ATOM 775 CB SER A 50 -14.210 -0.669 8.634 1.00 0.32 C ATOM 776 OG SER A 50 -15.416 -1.205 8.109 1.00 0.66 O ATOM 0 H SER A 50 -14.484 0.800 6.597 1.00 0.33 H new ATOM 0 HA SER A 50 -12.215 -0.623 7.817 1.00 0.31 H new ATOM 0 HB2 SER A 50 -13.844 -1.259 9.474 1.00 0.32 H new ATOM 0 HB3 SER A 50 -14.351 0.349 8.997 1.00 0.32 H new ATOM 0 HG SER A 50 -16.102 -1.215 8.809 1.00 0.66 H new ATOM 782 N ASN A 51 -13.893 -1.976 5.513 1.00 0.44 N ATOM 783 CA ASN A 51 -14.074 -3.226 4.714 1.00 0.52 C ATOM 784 C ASN A 51 -12.930 -3.377 3.704 1.00 0.41 C ATOM 785 O ASN A 51 -13.053 -4.089 2.728 1.00 0.26 O ATOM 786 CB ASN A 51 -15.405 -3.152 3.967 1.00 0.70 C ATOM 787 CG ASN A 51 -15.798 -4.553 3.494 1.00 0.89 C ATOM 788 OD1 ASN A 51 -15.360 -5.548 4.037 1.00 1.79 O ATOM 789 ND2 ASN A 51 -16.619 -4.675 2.488 1.00 0.62 N ATOM 0 H ASN A 51 -14.187 -1.116 5.051 1.00 0.44 H new ATOM 0 HA ASN A 51 -14.070 -4.086 5.384 1.00 0.52 H new ATOM 0 HB2 ASN A 51 -16.179 -2.745 4.618 1.00 0.70 H new ATOM 0 HB3 ASN A 51 -15.320 -2.478 3.114 1.00 0.70 H new ATOM 0 HD21 ASN A 51 -16.890 -5.602 2.161 1.00 0.62 H new ATOM 0 HD22 ASN A 51 -16.990 -3.843 2.029 1.00 0.62 H new ATOM 796 N VAL A 52 -11.844 -2.696 3.965 1.00 0.54 N ATOM 797 CA VAL A 52 -10.672 -2.779 3.037 1.00 0.44 C ATOM 798 C VAL A 52 -9.382 -2.933 3.840 1.00 0.38 C ATOM 799 O VAL A 52 -9.312 -2.513 4.980 1.00 0.48 O ATOM 800 CB VAL A 52 -10.597 -1.494 2.210 1.00 0.46 C ATOM 801 CG1 VAL A 52 -9.391 -1.565 1.271 1.00 0.48 C ATOM 802 CG2 VAL A 52 -11.874 -1.345 1.379 1.00 0.46 C ATOM 0 H VAL A 52 -11.716 -2.089 4.775 1.00 0.54 H new ATOM 0 HA VAL A 52 -10.792 -3.641 2.381 1.00 0.44 H new ATOM 0 HB VAL A 52 -10.494 -0.639 2.878 1.00 0.46 H new ATOM 0 HG11 VAL A 52 -9.335 -0.650 0.681 1.00 0.48 H new ATOM 0 HG12 VAL A 52 -8.479 -1.674 1.858 1.00 0.48 H new ATOM 0 HG13 VAL A 52 -9.498 -2.421 0.605 1.00 0.48 H new ATOM 0 HG21 VAL A 52 -11.820 -0.429 0.790 1.00 0.46 H new ATOM 0 HG22 VAL A 52 -11.975 -2.201 0.711 1.00 0.46 H new ATOM 0 HG23 VAL A 52 -12.737 -1.299 2.043 1.00 0.46 H new ATOM 812 N ILE A 53 -8.385 -3.527 3.230 1.00 0.25 N ATOM 813 CA ILE A 53 -7.088 -3.708 3.946 1.00 0.20 C ATOM 814 C ILE A 53 -6.044 -2.742 3.372 1.00 0.12 C ATOM 815 O ILE A 53 -6.000 -2.505 2.174 1.00 0.08 O ATOM 816 CB ILE A 53 -6.615 -5.156 3.778 1.00 0.21 C ATOM 817 CG1 ILE A 53 -7.304 -6.037 4.830 1.00 0.81 C ATOM 818 CG2 ILE A 53 -5.105 -5.224 3.987 1.00 0.57 C ATOM 819 CD1 ILE A 53 -8.819 -5.992 4.618 1.00 0.88 C ATOM 0 H ILE A 53 -8.414 -3.890 2.277 1.00 0.25 H new ATOM 0 HA ILE A 53 -7.220 -3.495 5.007 1.00 0.20 H new ATOM 0 HB ILE A 53 -6.865 -5.507 2.777 1.00 0.21 H new ATOM 0 HG12 ILE A 53 -6.945 -7.063 4.752 1.00 0.81 H new ATOM 0 HG13 ILE A 53 -7.055 -5.688 5.832 1.00 0.81 H new ATOM 0 HG21 ILE A 53 -4.767 -6.253 3.868 1.00 0.57 H new ATOM 0 HG22 ILE A 53 -4.607 -4.591 3.252 1.00 0.57 H new ATOM 0 HG23 ILE A 53 -4.861 -4.876 4.991 1.00 0.57 H new ATOM 0 HD11 ILE A 53 -9.310 -6.617 5.364 1.00 0.88 H new ATOM 0 HD12 ILE A 53 -9.170 -4.965 4.718 1.00 0.88 H new ATOM 0 HD13 ILE A 53 -9.058 -6.362 3.621 1.00 0.88 H new ATOM 831 N PHE A 54 -5.223 -2.215 4.243 1.00 0.12 N ATOM 832 CA PHE A 54 -4.180 -1.244 3.794 1.00 0.06 C ATOM 833 C PHE A 54 -2.795 -1.659 4.312 1.00 0.13 C ATOM 834 O PHE A 54 -2.614 -1.873 5.492 1.00 0.30 O ATOM 835 CB PHE A 54 -4.536 0.132 4.358 1.00 0.04 C ATOM 836 CG PHE A 54 -5.879 0.584 3.783 1.00 0.06 C ATOM 837 CD1 PHE A 54 -5.936 1.254 2.578 1.00 0.08 C ATOM 838 CD2 PHE A 54 -7.058 0.326 4.464 1.00 0.11 C ATOM 839 CE1 PHE A 54 -7.147 1.664 2.059 1.00 0.12 C ATOM 840 CE2 PHE A 54 -8.270 0.736 3.943 1.00 0.14 C ATOM 841 CZ PHE A 54 -8.313 1.405 2.742 1.00 0.15 C ATOM 0 H PHE A 54 -5.229 -2.414 5.243 1.00 0.12 H new ATOM 0 HA PHE A 54 -4.149 -1.222 2.705 1.00 0.06 H new ATOM 0 HB2 PHE A 54 -4.590 0.089 5.446 1.00 0.04 H new ATOM 0 HB3 PHE A 54 -3.759 0.853 4.106 1.00 0.04 H new ATOM 0 HD1 PHE A 54 -5.025 1.459 2.036 1.00 0.08 H new ATOM 0 HD2 PHE A 54 -7.029 -0.199 5.408 1.00 0.11 H new ATOM 0 HE1 PHE A 54 -7.180 2.189 1.116 1.00 0.12 H new ATOM 0 HE2 PHE A 54 -9.185 0.531 4.479 1.00 0.14 H new ATOM 0 HZ PHE A 54 -9.261 1.727 2.336 1.00 0.15 H new ATOM 851 N LEU A 55 -1.850 -1.774 3.410 1.00 0.17 N ATOM 852 CA LEU A 55 -0.464 -2.152 3.834 1.00 0.21 C ATOM 853 C LEU A 55 0.452 -0.932 3.739 1.00 0.10 C ATOM 854 O LEU A 55 0.070 0.106 3.237 1.00 0.21 O ATOM 855 CB LEU A 55 0.100 -3.240 2.913 1.00 0.34 C ATOM 856 CG LEU A 55 -0.529 -4.597 3.225 1.00 0.57 C ATOM 857 CD1 LEU A 55 -2.035 -4.525 3.024 1.00 0.92 C ATOM 858 CD2 LEU A 55 0.039 -5.637 2.257 1.00 0.64 C ATOM 0 H LEU A 55 -1.975 -1.624 2.409 1.00 0.17 H new ATOM 0 HA LEU A 55 -0.509 -2.521 4.859 1.00 0.21 H new ATOM 0 HB2 LEU A 55 -0.091 -2.977 1.873 1.00 0.34 H new ATOM 0 HB3 LEU A 55 1.182 -3.300 3.033 1.00 0.34 H new ATOM 0 HG LEU A 55 -0.308 -4.869 4.257 1.00 0.57 H new ATOM 0 HD11 LEU A 55 -2.479 -5.495 3.248 1.00 0.92 H new ATOM 0 HD12 LEU A 55 -2.455 -3.771 3.690 1.00 0.92 H new ATOM 0 HD13 LEU A 55 -2.252 -4.257 1.990 1.00 0.92 H new ATOM 0 HD21 LEU A 55 -0.402 -6.611 2.469 1.00 0.64 H new ATOM 0 HD22 LEU A 55 -0.196 -5.347 1.233 1.00 0.64 H new ATOM 0 HD23 LEU A 55 1.121 -5.695 2.378 1.00 0.64 H new ATOM 870 N GLU A 56 1.646 -1.100 4.202 1.00 0.31 N ATOM 871 CA GLU A 56 2.630 0.020 4.156 1.00 0.23 C ATOM 872 C GLU A 56 4.038 -0.570 4.088 1.00 0.23 C ATOM 873 O GLU A 56 4.573 -1.013 5.085 1.00 0.25 O ATOM 874 CB GLU A 56 2.489 0.871 5.414 1.00 0.21 C ATOM 875 CG GLU A 56 3.252 2.181 5.220 1.00 0.22 C ATOM 876 CD GLU A 56 4.075 2.477 6.477 1.00 0.74 C ATOM 877 OE1 GLU A 56 3.457 2.519 7.530 1.00 1.00 O ATOM 878 OE2 GLU A 56 5.272 2.641 6.315 1.00 1.72 O ATOM 0 H GLU A 56 1.993 -1.966 4.614 1.00 0.31 H new ATOM 0 HA GLU A 56 2.448 0.644 3.281 1.00 0.23 H new ATOM 0 HB2 GLU A 56 1.437 1.075 5.614 1.00 0.21 H new ATOM 0 HB3 GLU A 56 2.879 0.333 6.278 1.00 0.21 H new ATOM 0 HG2 GLU A 56 3.906 2.109 4.351 1.00 0.22 H new ATOM 0 HG3 GLU A 56 2.555 2.996 5.027 1.00 0.22 H new ATOM 885 N VAL A 57 4.611 -0.561 2.920 1.00 0.28 N ATOM 886 CA VAL A 57 5.973 -1.153 2.777 1.00 0.28 C ATOM 887 C VAL A 57 7.059 -0.085 2.902 1.00 0.28 C ATOM 888 O VAL A 57 6.907 1.025 2.429 1.00 0.22 O ATOM 889 CB VAL A 57 6.085 -1.827 1.413 1.00 0.28 C ATOM 890 CG1 VAL A 57 7.534 -2.266 1.191 1.00 0.29 C ATOM 891 CG2 VAL A 57 5.173 -3.052 1.380 1.00 0.27 C ATOM 0 H VAL A 57 4.205 -0.176 2.067 1.00 0.28 H new ATOM 0 HA VAL A 57 6.117 -1.881 3.575 1.00 0.28 H new ATOM 0 HB VAL A 57 5.787 -1.130 0.630 1.00 0.28 H new ATOM 0 HG11 VAL A 57 7.623 -2.749 0.218 1.00 0.29 H new ATOM 0 HG12 VAL A 57 8.187 -1.394 1.224 1.00 0.29 H new ATOM 0 HG13 VAL A 57 7.825 -2.968 1.972 1.00 0.29 H new ATOM 0 HG21 VAL A 57 5.250 -3.537 0.407 1.00 0.27 H new ATOM 0 HG22 VAL A 57 5.475 -3.752 2.159 1.00 0.27 H new ATOM 0 HG23 VAL A 57 4.142 -2.743 1.551 1.00 0.27 H new ATOM 901 N ASP A 58 8.137 -0.457 3.541 1.00 0.37 N ATOM 902 CA ASP A 58 9.269 0.495 3.711 1.00 0.38 C ATOM 903 C ASP A 58 10.398 0.128 2.741 1.00 0.39 C ATOM 904 O ASP A 58 11.097 -0.845 2.940 1.00 0.31 O ATOM 905 CB ASP A 58 9.779 0.401 5.148 1.00 0.38 C ATOM 906 CG ASP A 58 10.734 1.563 5.429 1.00 0.36 C ATOM 907 OD1 ASP A 58 10.838 2.405 4.553 1.00 1.48 O ATOM 908 OD2 ASP A 58 11.308 1.542 6.506 1.00 0.96 O ATOM 0 H ASP A 58 8.281 -1.380 3.952 1.00 0.37 H new ATOM 0 HA ASP A 58 8.934 1.511 3.502 1.00 0.38 H new ATOM 0 HB2 ASP A 58 8.941 0.429 5.845 1.00 0.38 H new ATOM 0 HB3 ASP A 58 10.291 -0.549 5.302 1.00 0.38 H new ATOM 913 N VAL A 59 10.550 0.915 1.714 1.00 0.50 N ATOM 914 CA VAL A 59 11.621 0.619 0.716 1.00 0.53 C ATOM 915 C VAL A 59 12.999 0.580 1.389 1.00 0.62 C ATOM 916 O VAL A 59 13.997 0.331 0.742 1.00 1.01 O ATOM 917 CB VAL A 59 11.610 1.705 -0.357 1.00 0.42 C ATOM 918 CG1 VAL A 59 10.330 1.578 -1.186 1.00 0.49 C ATOM 919 CG2 VAL A 59 11.640 3.077 0.319 1.00 0.34 C ATOM 0 H VAL A 59 9.987 1.743 1.521 1.00 0.50 H new ATOM 0 HA VAL A 59 11.429 -0.357 0.270 1.00 0.53 H new ATOM 0 HB VAL A 59 12.480 1.595 -1.005 1.00 0.42 H new ATOM 0 HG11 VAL A 59 10.316 2.351 -1.954 1.00 0.49 H new ATOM 0 HG12 VAL A 59 10.298 0.596 -1.658 1.00 0.49 H new ATOM 0 HG13 VAL A 59 9.463 1.696 -0.537 1.00 0.49 H new ATOM 0 HG21 VAL A 59 11.632 3.858 -0.442 1.00 0.34 H new ATOM 0 HG22 VAL A 59 10.765 3.186 0.960 1.00 0.34 H new ATOM 0 HG23 VAL A 59 12.544 3.166 0.921 1.00 0.34 H new ATOM 929 N ASP A 60 13.027 0.828 2.671 1.00 0.44 N ATOM 930 CA ASP A 60 14.336 0.805 3.393 1.00 0.47 C ATOM 931 C ASP A 60 14.547 -0.551 4.077 1.00 0.46 C ATOM 932 O ASP A 60 15.581 -1.171 3.921 1.00 0.57 O ATOM 933 CB ASP A 60 14.345 1.912 4.447 1.00 0.50 C ATOM 934 CG ASP A 60 15.792 2.298 4.760 1.00 0.77 C ATOM 935 OD1 ASP A 60 16.390 1.571 5.537 1.00 0.72 O ATOM 936 OD2 ASP A 60 16.219 3.296 4.203 1.00 1.45 O ATOM 0 H ASP A 60 12.212 1.043 3.245 1.00 0.44 H new ATOM 0 HA ASP A 60 15.141 0.964 2.675 1.00 0.47 H new ATOM 0 HB2 ASP A 60 13.795 2.780 4.084 1.00 0.50 H new ATOM 0 HB3 ASP A 60 13.843 1.572 5.353 1.00 0.50 H new ATOM 941 N ASP A 61 13.564 -0.982 4.819 1.00 0.44 N ATOM 942 CA ASP A 61 13.698 -2.293 5.523 1.00 0.53 C ATOM 943 C ASP A 61 13.110 -3.423 4.673 1.00 0.50 C ATOM 944 O ASP A 61 13.160 -4.576 5.053 1.00 0.68 O ATOM 945 CB ASP A 61 12.954 -2.223 6.856 1.00 0.75 C ATOM 946 CG ASP A 61 13.198 -3.514 7.638 1.00 0.62 C ATOM 947 OD1 ASP A 61 14.298 -4.026 7.509 1.00 0.43 O ATOM 948 OD2 ASP A 61 12.272 -3.916 8.324 1.00 1.41 O ATOM 0 H ASP A 61 12.682 -0.491 4.969 1.00 0.44 H new ATOM 0 HA ASP A 61 14.755 -2.497 5.692 1.00 0.53 H new ATOM 0 HB2 ASP A 61 13.297 -1.364 7.433 1.00 0.75 H new ATOM 0 HB3 ASP A 61 11.887 -2.085 6.683 1.00 0.75 H new ATOM 953 N CYS A 62 12.564 -3.064 3.537 1.00 0.48 N ATOM 954 CA CYS A 62 11.961 -4.102 2.642 1.00 0.52 C ATOM 955 C CYS A 62 12.480 -3.933 1.211 1.00 0.48 C ATOM 956 O CYS A 62 11.740 -4.077 0.259 1.00 0.60 O ATOM 957 CB CYS A 62 10.443 -3.947 2.653 1.00 0.71 C ATOM 958 SG CYS A 62 9.686 -3.293 4.160 1.00 0.89 S ATOM 0 H CYS A 62 12.509 -2.106 3.192 1.00 0.48 H new ATOM 0 HA CYS A 62 12.238 -5.093 3.003 1.00 0.52 H new ATOM 0 HB2 CYS A 62 10.165 -3.295 1.825 1.00 0.71 H new ATOM 0 HB3 CYS A 62 10.003 -4.924 2.451 1.00 0.71 H new ATOM 0 HG CYS A 62 8.394 -3.420 4.087 1.00 0.89 H new ATOM 964 N GLN A 63 13.744 -3.630 1.091 1.00 0.38 N ATOM 965 CA GLN A 63 14.325 -3.450 -0.265 1.00 0.48 C ATOM 966 C GLN A 63 14.060 -4.691 -1.119 1.00 0.45 C ATOM 967 O GLN A 63 14.246 -4.675 -2.318 1.00 0.61 O ATOM 968 CB GLN A 63 15.831 -3.227 -0.142 1.00 0.52 C ATOM 969 CG GLN A 63 16.098 -1.743 0.123 1.00 0.78 C ATOM 970 CD GLN A 63 17.593 -1.532 0.366 1.00 0.86 C ATOM 971 OE1 GLN A 63 18.011 -0.514 0.881 1.00 1.90 O ATOM 972 NE2 GLN A 63 18.431 -2.466 0.011 1.00 1.04 N ATOM 0 H GLN A 63 14.393 -3.501 1.867 1.00 0.38 H new ATOM 0 HA GLN A 63 13.862 -2.586 -0.742 1.00 0.48 H new ATOM 0 HB2 GLN A 63 16.236 -3.832 0.669 1.00 0.52 H new ATOM 0 HB3 GLN A 63 16.334 -3.542 -1.056 1.00 0.52 H new ATOM 0 HG2 GLN A 63 15.768 -1.145 -0.727 1.00 0.78 H new ATOM 0 HG3 GLN A 63 15.527 -1.408 0.989 1.00 0.78 H new ATOM 0 HE21 GLN A 63 18.086 -3.323 -0.422 1.00 1.04 H new ATOM 0 HE22 GLN A 63 19.431 -2.340 0.166 1.00 1.04 H new ATOM 981 N ASP A 64 13.629 -5.741 -0.480 1.00 0.34 N ATOM 982 CA ASP A 64 13.344 -6.988 -1.233 1.00 0.34 C ATOM 983 C ASP A 64 11.988 -6.884 -1.923 1.00 0.35 C ATOM 984 O ASP A 64 11.892 -6.948 -3.132 1.00 0.51 O ATOM 985 CB ASP A 64 13.345 -8.173 -0.267 1.00 0.36 C ATOM 986 CG ASP A 64 12.559 -7.805 0.993 1.00 0.35 C ATOM 987 OD1 ASP A 64 13.059 -6.959 1.715 1.00 0.73 O ATOM 988 OD2 ASP A 64 11.502 -8.392 1.162 1.00 1.00 O ATOM 0 H ASP A 64 13.463 -5.788 0.525 1.00 0.34 H new ATOM 0 HA ASP A 64 14.113 -7.135 -1.991 1.00 0.34 H new ATOM 0 HB2 ASP A 64 12.899 -9.046 -0.745 1.00 0.36 H new ATOM 0 HB3 ASP A 64 14.368 -8.441 -0.005 1.00 0.36 H new ATOM 993 N VAL A 65 10.972 -6.727 -1.136 1.00 0.40 N ATOM 994 CA VAL A 65 9.609 -6.607 -1.711 1.00 0.38 C ATOM 995 C VAL A 65 9.557 -5.434 -2.685 1.00 0.29 C ATOM 996 O VAL A 65 8.974 -5.525 -3.748 1.00 0.31 O ATOM 997 CB VAL A 65 8.623 -6.380 -0.585 1.00 0.41 C ATOM 998 CG1 VAL A 65 7.207 -6.678 -1.083 1.00 0.44 C ATOM 999 CG2 VAL A 65 8.960 -7.321 0.572 1.00 0.44 C ATOM 0 H VAL A 65 11.023 -6.676 -0.119 1.00 0.40 H new ATOM 0 HA VAL A 65 9.355 -7.521 -2.248 1.00 0.38 H new ATOM 0 HB VAL A 65 8.681 -5.345 -0.248 1.00 0.41 H new ATOM 0 HG11 VAL A 65 6.495 -6.515 -0.274 1.00 0.44 H new ATOM 0 HG12 VAL A 65 6.967 -6.017 -1.916 1.00 0.44 H new ATOM 0 HG13 VAL A 65 7.149 -7.715 -1.415 1.00 0.44 H new ATOM 0 HG21 VAL A 65 8.254 -7.163 1.387 1.00 0.44 H new ATOM 0 HG22 VAL A 65 8.896 -8.354 0.231 1.00 0.44 H new ATOM 0 HG23 VAL A 65 9.971 -7.117 0.924 1.00 0.44 H new ATOM 1009 N ALA A 66 10.169 -4.358 -2.298 1.00 0.21 N ATOM 1010 CA ALA A 66 10.187 -3.164 -3.182 1.00 0.13 C ATOM 1011 C ALA A 66 10.883 -3.507 -4.493 1.00 0.12 C ATOM 1012 O ALA A 66 10.385 -3.224 -5.564 1.00 0.14 O ATOM 1013 CB ALA A 66 10.939 -2.033 -2.484 1.00 0.16 C ATOM 0 H ALA A 66 10.658 -4.251 -1.409 1.00 0.21 H new ATOM 0 HA ALA A 66 9.164 -2.850 -3.391 1.00 0.13 H new ATOM 0 HB1 ALA A 66 10.955 -1.154 -3.129 1.00 0.16 H new ATOM 0 HB2 ALA A 66 10.438 -1.787 -1.548 1.00 0.16 H new ATOM 0 HB3 ALA A 66 11.961 -2.349 -2.277 1.00 0.16 H new ATOM 1019 N SER A 67 12.025 -4.108 -4.373 1.00 0.14 N ATOM 1020 CA SER A 67 12.783 -4.497 -5.589 1.00 0.19 C ATOM 1021 C SER A 67 11.974 -5.505 -6.401 1.00 0.28 C ATOM 1022 O SER A 67 12.270 -5.770 -7.549 1.00 0.35 O ATOM 1023 CB SER A 67 14.114 -5.121 -5.174 1.00 0.17 C ATOM 1024 OG SER A 67 14.755 -5.421 -6.406 1.00 0.93 O ATOM 0 H SER A 67 12.469 -4.348 -3.487 1.00 0.14 H new ATOM 0 HA SER A 67 12.968 -3.614 -6.200 1.00 0.19 H new ATOM 0 HB2 SER A 67 14.707 -4.432 -4.573 1.00 0.17 H new ATOM 0 HB3 SER A 67 13.964 -6.018 -4.574 1.00 0.17 H new ATOM 0 HG SER A 67 14.078 -5.581 -7.096 1.00 0.93 H new ATOM 1030 N GLU A 68 10.966 -6.045 -5.778 1.00 0.29 N ATOM 1031 CA GLU A 68 10.114 -7.035 -6.481 1.00 0.38 C ATOM 1032 C GLU A 68 9.190 -6.312 -7.450 1.00 0.44 C ATOM 1033 O GLU A 68 8.886 -6.803 -8.519 1.00 0.54 O ATOM 1034 CB GLU A 68 9.284 -7.803 -5.452 1.00 0.41 C ATOM 1035 CG GLU A 68 9.124 -9.252 -5.914 1.00 0.56 C ATOM 1036 CD GLU A 68 8.274 -10.017 -4.897 1.00 0.79 C ATOM 1037 OE1 GLU A 68 8.516 -9.803 -3.721 1.00 1.74 O ATOM 1038 OE2 GLU A 68 7.431 -10.771 -5.355 1.00 1.14 O ATOM 0 H GLU A 68 10.697 -5.843 -4.815 1.00 0.29 H new ATOM 0 HA GLU A 68 10.741 -7.732 -7.037 1.00 0.38 H new ATOM 0 HB2 GLU A 68 9.771 -7.771 -4.478 1.00 0.41 H new ATOM 0 HB3 GLU A 68 8.306 -7.336 -5.335 1.00 0.41 H new ATOM 0 HG2 GLU A 68 8.652 -9.283 -6.896 1.00 0.56 H new ATOM 0 HG3 GLU A 68 10.102 -9.723 -6.016 1.00 0.56 H new ATOM 1045 N CYS A 69 8.768 -5.155 -7.049 1.00 0.39 N ATOM 1046 CA CYS A 69 7.868 -4.355 -7.922 1.00 0.45 C ATOM 1047 C CYS A 69 8.707 -3.448 -8.829 1.00 0.47 C ATOM 1048 O CYS A 69 8.181 -2.661 -9.592 1.00 0.54 O ATOM 1049 CB CYS A 69 6.950 -3.509 -7.046 1.00 0.41 C ATOM 1050 SG CYS A 69 5.571 -4.355 -6.238 1.00 0.49 S ATOM 0 H CYS A 69 9.005 -4.724 -6.155 1.00 0.39 H new ATOM 0 HA CYS A 69 7.267 -5.019 -8.543 1.00 0.45 H new ATOM 0 HB2 CYS A 69 7.558 -3.040 -6.273 1.00 0.41 H new ATOM 0 HB3 CYS A 69 6.541 -2.707 -7.660 1.00 0.41 H new ATOM 0 HG CYS A 69 4.788 -3.477 -5.684 1.00 0.49 H new ATOM 1056 N GLU A 70 10.000 -3.586 -8.719 1.00 0.43 N ATOM 1057 CA GLU A 70 10.913 -2.758 -9.562 1.00 0.46 C ATOM 1058 C GLU A 70 10.578 -1.263 -9.420 1.00 0.46 C ATOM 1059 O GLU A 70 10.573 -0.523 -10.385 1.00 0.61 O ATOM 1060 CB GLU A 70 10.780 -3.208 -11.028 1.00 0.55 C ATOM 1061 CG GLU A 70 11.900 -4.201 -11.347 1.00 0.96 C ATOM 1062 CD GLU A 70 11.741 -4.694 -12.787 1.00 0.92 C ATOM 1063 OE1 GLU A 70 10.795 -5.431 -13.006 1.00 1.05 O ATOM 1064 OE2 GLU A 70 12.577 -4.306 -13.586 1.00 1.75 O ATOM 0 H GLU A 70 10.464 -4.235 -8.083 1.00 0.43 H new ATOM 0 HA GLU A 70 11.942 -2.898 -9.230 1.00 0.46 H new ATOM 0 HB2 GLU A 70 9.807 -3.672 -11.193 1.00 0.55 H new ATOM 0 HB3 GLU A 70 10.840 -2.347 -11.693 1.00 0.55 H new ATOM 0 HG2 GLU A 70 12.872 -3.725 -11.218 1.00 0.96 H new ATOM 0 HG3 GLU A 70 11.864 -5.043 -10.656 1.00 0.96 H new ATOM 1071 N VAL A 71 10.310 -0.845 -8.216 1.00 0.30 N ATOM 1072 CA VAL A 71 9.996 0.601 -8.014 1.00 0.30 C ATOM 1073 C VAL A 71 11.290 1.397 -7.853 1.00 0.46 C ATOM 1074 O VAL A 71 12.289 0.879 -7.398 1.00 0.63 O ATOM 1075 CB VAL A 71 9.137 0.780 -6.764 1.00 0.11 C ATOM 1076 CG1 VAL A 71 8.043 1.807 -7.053 1.00 0.26 C ATOM 1077 CG2 VAL A 71 8.486 -0.551 -6.400 1.00 0.27 C ATOM 0 H VAL A 71 10.294 -1.425 -7.377 1.00 0.30 H new ATOM 0 HA VAL A 71 9.450 0.965 -8.884 1.00 0.30 H new ATOM 0 HB VAL A 71 9.760 1.121 -5.938 1.00 0.11 H new ATOM 0 HG11 VAL A 71 7.425 1.940 -6.165 1.00 0.26 H new ATOM 0 HG12 VAL A 71 8.500 2.759 -7.323 1.00 0.26 H new ATOM 0 HG13 VAL A 71 7.422 1.455 -7.877 1.00 0.26 H new ATOM 0 HG21 VAL A 71 7.873 -0.424 -5.508 1.00 0.27 H new ATOM 0 HG22 VAL A 71 7.860 -0.888 -7.226 1.00 0.27 H new ATOM 0 HG23 VAL A 71 9.260 -1.293 -6.206 1.00 0.27 H new ATOM 1087 N LYS A 72 11.242 2.641 -8.232 1.00 0.52 N ATOM 1088 CA LYS A 72 12.458 3.492 -8.109 1.00 0.75 C ATOM 1089 C LYS A 72 12.054 4.920 -7.734 1.00 0.62 C ATOM 1090 O LYS A 72 12.781 5.863 -7.982 1.00 0.70 O ATOM 1091 CB LYS A 72 13.201 3.498 -9.446 1.00 1.07 C ATOM 1092 CG LYS A 72 14.143 2.292 -9.500 1.00 1.33 C ATOM 1093 CD LYS A 72 14.868 2.280 -10.848 1.00 1.17 C ATOM 1094 CE LYS A 72 15.504 0.906 -11.064 1.00 2.16 C ATOM 1095 NZ LYS A 72 14.469 -0.092 -11.457 1.00 3.50 N ATOM 0 H LYS A 72 10.420 3.104 -8.619 1.00 0.52 H new ATOM 0 HA LYS A 72 13.108 3.092 -7.331 1.00 0.75 H new ATOM 0 HB2 LYS A 72 12.490 3.458 -10.271 1.00 1.07 H new ATOM 0 HB3 LYS A 72 13.767 4.423 -9.558 1.00 1.07 H new ATOM 0 HG2 LYS A 72 14.865 2.343 -8.685 1.00 1.33 H new ATOM 0 HG3 LYS A 72 13.579 1.369 -9.369 1.00 1.33 H new ATOM 0 HD2 LYS A 72 14.167 2.500 -11.653 1.00 1.17 H new ATOM 0 HD3 LYS A 72 15.633 3.056 -10.870 1.00 1.17 H new ATOM 0 HE2 LYS A 72 16.268 0.970 -11.838 1.00 2.16 H new ATOM 0 HE3 LYS A 72 16.002 0.582 -10.150 1.00 2.16 H new ATOM 0 HZ1 LYS A 72 14.932 -0.933 -11.858 1.00 3.50 H new ATOM 0 HZ2 LYS A 72 13.917 -0.367 -10.620 1.00 3.50 H new ATOM 0 HZ3 LYS A 72 13.835 0.326 -12.168 1.00 3.50 H new ATOM 1109 N CYS A 73 10.898 5.047 -7.141 1.00 0.43 N ATOM 1110 CA CYS A 73 10.426 6.403 -6.739 1.00 0.30 C ATOM 1111 C CYS A 73 9.242 6.287 -5.783 1.00 0.20 C ATOM 1112 O CYS A 73 8.281 5.596 -6.060 1.00 0.15 O ATOM 1113 CB CYS A 73 10.006 7.181 -7.986 1.00 0.24 C ATOM 1114 SG CYS A 73 8.820 6.389 -9.100 1.00 0.30 S ATOM 0 H CYS A 73 10.265 4.279 -6.919 1.00 0.43 H new ATOM 0 HA CYS A 73 11.236 6.929 -6.233 1.00 0.30 H new ATOM 0 HB2 CYS A 73 9.582 8.132 -7.663 1.00 0.24 H new ATOM 0 HB3 CYS A 73 10.905 7.411 -8.559 1.00 0.24 H new ATOM 0 HG CYS A 73 7.984 5.675 -8.407 1.00 0.30 H new ATOM 1120 N THR A 74 9.346 6.974 -4.679 1.00 0.21 N ATOM 1121 CA THR A 74 8.255 6.931 -3.664 1.00 0.15 C ATOM 1122 C THR A 74 7.585 8.320 -3.563 1.00 0.16 C ATOM 1123 O THR A 74 8.201 9.320 -3.874 1.00 0.20 O ATOM 1124 CB THR A 74 8.886 6.562 -2.316 1.00 0.19 C ATOM 1125 OG1 THR A 74 10.119 7.276 -2.291 1.00 0.21 O ATOM 1126 CG2 THR A 74 9.280 5.089 -2.274 1.00 0.22 C ATOM 0 H THR A 74 10.141 7.565 -4.435 1.00 0.21 H new ATOM 0 HA THR A 74 7.498 6.199 -3.945 1.00 0.15 H new ATOM 0 HB THR A 74 8.193 6.780 -1.504 1.00 0.19 H new ATOM 0 HG1 THR A 74 10.587 7.092 -1.450 1.00 0.21 H new ATOM 0 HG21 THR A 74 9.724 4.859 -1.306 1.00 0.22 H new ATOM 0 HG22 THR A 74 8.395 4.471 -2.423 1.00 0.22 H new ATOM 0 HG23 THR A 74 10.003 4.883 -3.063 1.00 0.22 H new ATOM 1134 N PRO A 75 6.330 8.363 -3.127 1.00 0.12 N ATOM 1135 CA PRO A 75 5.526 7.175 -2.756 1.00 0.09 C ATOM 1136 C PRO A 75 4.969 6.470 -4.008 1.00 0.06 C ATOM 1137 O PRO A 75 4.769 7.094 -5.038 1.00 0.07 O ATOM 1138 CB PRO A 75 4.363 7.737 -1.934 1.00 0.11 C ATOM 1139 CG PRO A 75 4.387 9.288 -2.104 1.00 0.13 C ATOM 1140 CD PRO A 75 5.651 9.641 -2.910 1.00 0.14 C ATOM 0 HA PRO A 75 6.122 6.441 -2.214 1.00 0.09 H new ATOM 0 HB2 PRO A 75 3.414 7.327 -2.279 1.00 0.11 H new ATOM 0 HB3 PRO A 75 4.466 7.463 -0.884 1.00 0.11 H new ATOM 0 HG2 PRO A 75 3.492 9.632 -2.623 1.00 0.13 H new ATOM 0 HG3 PRO A 75 4.401 9.781 -1.132 1.00 0.13 H new ATOM 0 HD2 PRO A 75 5.395 10.118 -3.856 1.00 0.14 H new ATOM 0 HD3 PRO A 75 6.286 10.338 -2.363 1.00 0.14 H new ATOM 1148 N THR A 76 4.728 5.186 -3.884 1.00 0.09 N ATOM 1149 CA THR A 76 4.168 4.420 -5.037 1.00 0.09 C ATOM 1150 C THR A 76 2.987 3.574 -4.553 1.00 0.12 C ATOM 1151 O THR A 76 3.141 2.710 -3.713 1.00 0.15 O ATOM 1152 CB THR A 76 5.257 3.516 -5.626 1.00 0.08 C ATOM 1153 OG1 THR A 76 6.051 4.385 -6.427 1.00 0.10 O ATOM 1154 CG2 THR A 76 4.675 2.493 -6.602 1.00 0.04 C ATOM 0 H THR A 76 4.895 4.640 -3.038 1.00 0.09 H new ATOM 0 HA THR A 76 3.824 5.109 -5.808 1.00 0.09 H new ATOM 0 HB THR A 76 5.780 2.995 -4.824 1.00 0.08 H new ATOM 0 HG1 THR A 76 6.801 4.725 -5.896 1.00 0.10 H new ATOM 0 HG21 THR A 76 5.477 1.871 -6.998 1.00 0.04 H new ATOM 0 HG22 THR A 76 3.952 1.865 -6.082 1.00 0.04 H new ATOM 0 HG23 THR A 76 4.180 3.013 -7.422 1.00 0.04 H new ATOM 1162 N PHE A 77 1.830 3.841 -5.095 1.00 0.17 N ATOM 1163 CA PHE A 77 0.625 3.075 -4.659 1.00 0.19 C ATOM 1164 C PHE A 77 0.381 1.872 -5.564 1.00 0.19 C ATOM 1165 O PHE A 77 0.426 1.984 -6.773 1.00 0.20 O ATOM 1166 CB PHE A 77 -0.590 3.992 -4.717 1.00 0.20 C ATOM 1167 CG PHE A 77 -0.549 4.952 -3.535 1.00 0.21 C ATOM 1168 CD1 PHE A 77 -0.696 4.475 -2.246 1.00 0.18 C ATOM 1169 CD2 PHE A 77 -0.366 6.310 -3.733 1.00 0.25 C ATOM 1170 CE1 PHE A 77 -0.662 5.342 -1.173 1.00 0.19 C ATOM 1171 CE2 PHE A 77 -0.331 7.174 -2.659 1.00 0.26 C ATOM 1172 CZ PHE A 77 -0.479 6.690 -1.380 1.00 0.22 C ATOM 0 H PHE A 77 1.666 4.547 -5.812 1.00 0.17 H new ATOM 0 HA PHE A 77 0.791 2.716 -3.643 1.00 0.19 H new ATOM 0 HB2 PHE A 77 -0.596 4.549 -5.654 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -1.507 3.403 -4.691 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -0.838 3.418 -2.078 1.00 0.18 H new ATOM 0 HD2 PHE A 77 -0.250 6.695 -4.735 1.00 0.25 H new ATOM 0 HE1 PHE A 77 -0.779 4.962 -0.169 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -0.187 8.232 -2.822 1.00 0.26 H new ATOM 0 HZ PHE A 77 -0.452 7.367 -0.539 1.00 0.22 H new ATOM 1182 N GLN A 78 0.130 0.746 -4.951 1.00 0.19 N ATOM 1183 CA GLN A 78 -0.145 -0.488 -5.753 1.00 0.20 C ATOM 1184 C GLN A 78 -1.438 -1.159 -5.276 1.00 0.14 C ATOM 1185 O GLN A 78 -1.817 -1.040 -4.128 1.00 0.11 O ATOM 1186 CB GLN A 78 1.018 -1.456 -5.592 1.00 0.25 C ATOM 1187 CG GLN A 78 2.262 -0.891 -6.286 1.00 0.59 C ATOM 1188 CD GLN A 78 3.258 -2.024 -6.520 1.00 0.36 C ATOM 1189 OE1 GLN A 78 3.283 -3.000 -5.797 1.00 1.32 O ATOM 1190 NE2 GLN A 78 4.095 -1.936 -7.518 1.00 0.96 N ATOM 0 H GLN A 78 0.103 0.624 -3.939 1.00 0.19 H new ATOM 0 HA GLN A 78 -0.260 -0.213 -6.802 1.00 0.20 H new ATOM 0 HB2 GLN A 78 1.223 -1.620 -4.534 1.00 0.25 H new ATOM 0 HB3 GLN A 78 0.759 -2.424 -6.020 1.00 0.25 H new ATOM 0 HG2 GLN A 78 1.987 -0.429 -7.234 1.00 0.59 H new ATOM 0 HG3 GLN A 78 2.715 -0.112 -5.672 1.00 0.59 H new ATOM 0 HE21 GLN A 78 4.078 -1.118 -8.128 1.00 0.96 H new ATOM 0 HE22 GLN A 78 4.766 -2.685 -7.688 1.00 0.96 H new ATOM 1199 N PHE A 79 -2.080 -1.855 -6.181 1.00 0.12 N ATOM 1200 CA PHE A 79 -3.363 -2.542 -5.832 1.00 0.08 C ATOM 1201 C PHE A 79 -3.191 -4.063 -5.944 1.00 0.11 C ATOM 1202 O PHE A 79 -2.665 -4.550 -6.924 1.00 0.24 O ATOM 1203 CB PHE A 79 -4.446 -2.094 -6.822 1.00 0.07 C ATOM 1204 CG PHE A 79 -4.887 -0.654 -6.515 1.00 0.12 C ATOM 1205 CD1 PHE A 79 -3.990 0.401 -6.615 1.00 0.16 C ATOM 1206 CD2 PHE A 79 -6.194 -0.387 -6.136 1.00 0.14 C ATOM 1207 CE1 PHE A 79 -4.396 1.691 -6.340 1.00 0.22 C ATOM 1208 CE2 PHE A 79 -6.593 0.905 -5.862 1.00 0.19 C ATOM 1209 CZ PHE A 79 -5.696 1.941 -5.964 1.00 0.23 C ATOM 0 H PHE A 79 -1.772 -1.977 -7.146 1.00 0.12 H new ATOM 0 HA PHE A 79 -3.646 -2.285 -4.811 1.00 0.08 H new ATOM 0 HB2 PHE A 79 -4.064 -2.155 -7.841 1.00 0.07 H new ATOM 0 HB3 PHE A 79 -5.303 -2.765 -6.762 1.00 0.07 H new ATOM 0 HD1 PHE A 79 -2.969 0.211 -6.910 1.00 0.16 H new ATOM 0 HD2 PHE A 79 -6.905 -1.196 -6.055 1.00 0.14 H new ATOM 0 HE1 PHE A 79 -3.692 2.506 -6.420 1.00 0.22 H new ATOM 0 HE2 PHE A 79 -7.613 1.103 -5.567 1.00 0.19 H new ATOM 0 HZ PHE A 79 -6.011 2.951 -5.749 1.00 0.23 H new ATOM 1219 N PHE A 80 -3.635 -4.780 -4.935 1.00 0.12 N ATOM 1220 CA PHE A 80 -3.517 -6.273 -4.983 1.00 0.11 C ATOM 1221 C PHE A 80 -4.859 -6.915 -4.629 1.00 0.12 C ATOM 1222 O PHE A 80 -5.607 -6.398 -3.818 1.00 0.13 O ATOM 1223 CB PHE A 80 -2.459 -6.731 -3.980 1.00 0.13 C ATOM 1224 CG PHE A 80 -1.073 -6.341 -4.487 1.00 0.16 C ATOM 1225 CD1 PHE A 80 -0.383 -7.162 -5.362 1.00 0.15 C ATOM 1226 CD2 PHE A 80 -0.490 -5.160 -4.074 1.00 0.31 C ATOM 1227 CE1 PHE A 80 0.870 -6.802 -5.812 1.00 0.16 C ATOM 1228 CE2 PHE A 80 0.760 -4.805 -4.526 1.00 0.36 C ATOM 1229 CZ PHE A 80 1.440 -5.624 -5.395 1.00 0.24 C ATOM 0 H PHE A 80 -4.068 -4.401 -4.092 1.00 0.12 H new ATOM 0 HA PHE A 80 -3.228 -6.576 -5.989 1.00 0.11 H new ATOM 0 HB2 PHE A 80 -2.643 -6.275 -3.007 1.00 0.13 H new ATOM 0 HB3 PHE A 80 -2.517 -7.811 -3.842 1.00 0.13 H new ATOM 0 HD1 PHE A 80 -0.828 -8.089 -5.694 1.00 0.15 H new ATOM 0 HD2 PHE A 80 -1.018 -4.511 -3.392 1.00 0.31 H new ATOM 0 HE1 PHE A 80 1.404 -7.448 -6.494 1.00 0.16 H new ATOM 0 HE2 PHE A 80 1.208 -3.879 -4.197 1.00 0.36 H new ATOM 0 HZ PHE A 80 2.420 -5.342 -5.749 1.00 0.24 H new ATOM 1239 N LYS A 81 -5.140 -8.025 -5.248 1.00 0.18 N ATOM 1240 CA LYS A 81 -6.425 -8.721 -4.961 1.00 0.23 C ATOM 1241 C LYS A 81 -6.248 -10.231 -5.134 1.00 0.07 C ATOM 1242 O LYS A 81 -5.584 -10.676 -6.041 1.00 0.18 O ATOM 1243 CB LYS A 81 -7.494 -8.214 -5.927 1.00 0.38 C ATOM 1244 CG LYS A 81 -8.812 -8.941 -5.641 1.00 0.37 C ATOM 1245 CD LYS A 81 -9.942 -7.913 -5.489 1.00 1.08 C ATOM 1246 CE LYS A 81 -10.066 -7.069 -6.767 1.00 1.29 C ATOM 1247 NZ LYS A 81 -9.489 -7.782 -7.942 1.00 2.22 N ATOM 0 H LYS A 81 -4.540 -8.479 -5.937 1.00 0.18 H new ATOM 0 HA LYS A 81 -6.730 -8.516 -3.935 1.00 0.23 H new ATOM 0 HB2 LYS A 81 -7.625 -7.138 -5.812 1.00 0.38 H new ATOM 0 HB3 LYS A 81 -7.184 -8.389 -6.957 1.00 0.38 H new ATOM 0 HG2 LYS A 81 -9.042 -9.632 -6.452 1.00 0.37 H new ATOM 0 HG3 LYS A 81 -8.722 -9.535 -4.732 1.00 0.37 H new ATOM 0 HD2 LYS A 81 -10.884 -8.424 -5.289 1.00 1.08 H new ATOM 0 HD3 LYS A 81 -9.743 -7.266 -4.635 1.00 1.08 H new ATOM 0 HE2 LYS A 81 -11.115 -6.842 -6.955 1.00 1.29 H new ATOM 0 HE3 LYS A 81 -9.554 -6.117 -6.628 1.00 1.29 H new ATOM 0 HZ1 LYS A 81 -9.970 -7.468 -8.809 1.00 2.22 H new ATOM 0 HZ2 LYS A 81 -8.473 -7.569 -8.013 1.00 2.22 H new ATOM 0 HZ3 LYS A 81 -9.621 -8.807 -7.825 1.00 2.22 H new ATOM 1261 N LYS A 82 -6.843 -10.985 -4.254 1.00 0.20 N ATOM 1262 CA LYS A 82 -6.718 -12.472 -4.353 1.00 0.32 C ATOM 1263 C LYS A 82 -5.240 -12.887 -4.426 1.00 0.29 C ATOM 1264 O LYS A 82 -4.932 -14.049 -4.613 1.00 0.35 O ATOM 1265 CB LYS A 82 -7.447 -12.961 -5.606 1.00 0.39 C ATOM 1266 CG LYS A 82 -8.869 -13.377 -5.227 1.00 0.69 C ATOM 1267 CD LYS A 82 -9.642 -13.733 -6.497 1.00 1.22 C ATOM 1268 CE LYS A 82 -11.117 -13.934 -6.146 1.00 1.53 C ATOM 1269 NZ LYS A 82 -11.259 -14.918 -5.036 1.00 1.23 N ATOM 0 H LYS A 82 -7.407 -10.644 -3.475 1.00 0.20 H new ATOM 0 HA LYS A 82 -7.163 -12.921 -3.465 1.00 0.32 H new ATOM 0 HB2 LYS A 82 -7.474 -12.172 -6.358 1.00 0.39 H new ATOM 0 HB3 LYS A 82 -6.914 -13.803 -6.047 1.00 0.39 H new ATOM 0 HG2 LYS A 82 -8.843 -14.231 -4.551 1.00 0.69 H new ATOM 0 HG3 LYS A 82 -9.369 -12.566 -4.697 1.00 0.69 H new ATOM 0 HD2 LYS A 82 -9.536 -12.939 -7.236 1.00 1.22 H new ATOM 0 HD3 LYS A 82 -9.235 -14.640 -6.943 1.00 1.22 H new ATOM 0 HE2 LYS A 82 -11.561 -12.982 -5.855 1.00 1.53 H new ATOM 0 HE3 LYS A 82 -11.661 -14.285 -7.023 1.00 1.53 H new ATOM 0 HZ1 LYS A 82 -12.140 -15.457 -5.160 1.00 1.23 H new ATOM 0 HZ2 LYS A 82 -10.449 -15.571 -5.045 1.00 1.23 H new ATOM 0 HZ3 LYS A 82 -11.287 -14.414 -4.127 1.00 1.23 H new ATOM 1283 N GLY A 83 -4.357 -11.932 -4.279 1.00 0.23 N ATOM 1284 CA GLY A 83 -2.902 -12.261 -4.330 1.00 0.25 C ATOM 1285 C GLY A 83 -2.311 -11.965 -5.716 1.00 0.24 C ATOM 1286 O GLY A 83 -1.387 -12.625 -6.148 1.00 0.50 O ATOM 0 H GLY A 83 -4.578 -10.948 -4.127 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -2.370 -11.683 -3.574 1.00 0.25 H new ATOM 0 HA3 GLY A 83 -2.756 -13.314 -4.087 1.00 0.25 H new ATOM 1290 N GLN A 84 -2.851 -10.980 -6.385 1.00 0.23 N ATOM 1291 CA GLN A 84 -2.309 -10.634 -7.737 1.00 0.37 C ATOM 1292 C GLN A 84 -2.496 -9.139 -8.019 1.00 0.26 C ATOM 1293 O GLN A 84 -3.564 -8.595 -7.819 1.00 0.14 O ATOM 1294 CB GLN A 84 -3.028 -11.458 -8.808 1.00 0.53 C ATOM 1295 CG GLN A 84 -4.512 -11.559 -8.462 1.00 1.32 C ATOM 1296 CD GLN A 84 -5.261 -12.204 -9.631 1.00 1.38 C ATOM 1297 OE1 GLN A 84 -4.879 -13.245 -10.129 1.00 0.69 O ATOM 1298 NE2 GLN A 84 -6.330 -11.620 -10.098 1.00 2.48 N ATOM 0 H GLN A 84 -3.631 -10.407 -6.063 1.00 0.23 H new ATOM 0 HA GLN A 84 -1.244 -10.864 -7.759 1.00 0.37 H new ATOM 0 HB2 GLN A 84 -2.902 -10.992 -9.785 1.00 0.53 H new ATOM 0 HB3 GLN A 84 -2.590 -12.454 -8.871 1.00 0.53 H new ATOM 0 HG2 GLN A 84 -4.647 -12.152 -7.557 1.00 1.32 H new ATOM 0 HG3 GLN A 84 -4.918 -10.568 -8.257 1.00 1.32 H new ATOM 0 HE21 GLN A 84 -6.656 -10.746 -9.684 1.00 2.48 H new ATOM 0 HE22 GLN A 84 -6.840 -12.037 -10.877 1.00 2.48 H new ATOM 1307 N LYS A 85 -1.446 -8.509 -8.478 1.00 0.37 N ATOM 1308 CA LYS A 85 -1.533 -7.050 -8.772 1.00 0.30 C ATOM 1309 C LYS A 85 -2.572 -6.790 -9.868 1.00 0.26 C ATOM 1310 O LYS A 85 -2.708 -7.569 -10.792 1.00 0.28 O ATOM 1311 CB LYS A 85 -0.155 -6.560 -9.242 1.00 0.36 C ATOM 1312 CG LYS A 85 -0.076 -5.025 -9.154 1.00 0.40 C ATOM 1313 CD LYS A 85 1.394 -4.605 -9.023 1.00 0.57 C ATOM 1314 CE LYS A 85 2.172 -5.058 -10.263 1.00 0.65 C ATOM 1315 NZ LYS A 85 2.944 -6.297 -9.968 1.00 1.47 N ATOM 0 H LYS A 85 -0.539 -8.939 -8.660 1.00 0.37 H new ATOM 0 HA LYS A 85 -1.836 -6.515 -7.872 1.00 0.30 H new ATOM 0 HB2 LYS A 85 0.627 -7.007 -8.628 1.00 0.36 H new ATOM 0 HB3 LYS A 85 0.023 -6.882 -10.268 1.00 0.36 H new ATOM 0 HG2 LYS A 85 -0.518 -4.574 -10.042 1.00 0.40 H new ATOM 0 HG3 LYS A 85 -0.647 -4.668 -8.297 1.00 0.40 H new ATOM 0 HD2 LYS A 85 1.465 -3.523 -8.912 1.00 0.57 H new ATOM 0 HD3 LYS A 85 1.830 -5.046 -8.127 1.00 0.57 H new ATOM 0 HE2 LYS A 85 1.482 -5.240 -11.087 1.00 0.65 H new ATOM 0 HE3 LYS A 85 2.850 -4.267 -10.584 1.00 0.65 H new ATOM 0 HZ1 LYS A 85 3.934 -6.167 -10.259 1.00 1.47 H new ATOM 0 HZ2 LYS A 85 2.906 -6.495 -8.948 1.00 1.47 H new ATOM 0 HZ3 LYS A 85 2.532 -7.096 -10.491 1.00 1.47 H new ATOM 1329 N VAL A 86 -3.279 -5.696 -9.737 1.00 0.24 N ATOM 1330 CA VAL A 86 -4.320 -5.361 -10.761 1.00 0.20 C ATOM 1331 C VAL A 86 -4.234 -3.877 -11.155 1.00 0.15 C ATOM 1332 O VAL A 86 -4.603 -3.503 -12.251 1.00 0.23 O ATOM 1333 CB VAL A 86 -5.699 -5.656 -10.175 1.00 0.21 C ATOM 1334 CG1 VAL A 86 -6.003 -7.147 -10.336 1.00 0.20 C ATOM 1335 CG2 VAL A 86 -5.701 -5.302 -8.688 1.00 0.22 C ATOM 0 H VAL A 86 -3.184 -5.025 -8.974 1.00 0.24 H new ATOM 0 HA VAL A 86 -4.153 -5.964 -11.653 1.00 0.20 H new ATOM 0 HB VAL A 86 -6.454 -5.066 -10.695 1.00 0.21 H new ATOM 0 HG11 VAL A 86 -6.986 -7.365 -9.920 1.00 0.20 H new ATOM 0 HG12 VAL A 86 -5.991 -7.409 -11.394 1.00 0.20 H new ATOM 0 HG13 VAL A 86 -5.248 -7.731 -9.809 1.00 0.20 H new ATOM 0 HG21 VAL A 86 -6.684 -5.511 -8.266 1.00 0.22 H new ATOM 0 HG22 VAL A 86 -4.949 -5.899 -8.171 1.00 0.22 H new ATOM 0 HG23 VAL A 86 -5.471 -4.244 -8.566 1.00 0.22 H new ATOM 1345 N GLY A 87 -3.751 -3.064 -10.255 1.00 0.11 N ATOM 1346 CA GLY A 87 -3.639 -1.607 -10.569 1.00 0.11 C ATOM 1347 C GLY A 87 -2.403 -1.014 -9.891 1.00 0.16 C ATOM 1348 O GLY A 87 -2.018 -1.443 -8.821 1.00 0.30 O ATOM 0 H GLY A 87 -3.432 -3.339 -9.326 1.00 0.11 H new ATOM 0 HA2 GLY A 87 -3.575 -1.464 -11.648 1.00 0.11 H new ATOM 0 HA3 GLY A 87 -4.534 -1.085 -10.231 1.00 0.11 H new ATOM 1352 N GLU A 88 -1.802 -0.038 -10.521 1.00 0.13 N ATOM 1353 CA GLU A 88 -0.591 0.575 -9.904 1.00 0.14 C ATOM 1354 C GLU A 88 -0.310 1.965 -10.479 1.00 0.14 C ATOM 1355 O GLU A 88 -0.171 2.136 -11.675 1.00 0.14 O ATOM 1356 CB GLU A 88 0.609 -0.331 -10.168 1.00 0.14 C ATOM 1357 CG GLU A 88 0.491 -0.916 -11.576 1.00 1.20 C ATOM 1358 CD GLU A 88 1.862 -1.408 -12.038 1.00 1.01 C ATOM 1359 OE1 GLU A 88 2.790 -0.626 -11.906 1.00 0.90 O ATOM 1360 OE2 GLU A 88 1.906 -2.537 -12.497 1.00 1.86 O ATOM 0 H GLU A 88 -2.090 0.354 -11.417 1.00 0.13 H new ATOM 0 HA GLU A 88 -0.766 0.682 -8.834 1.00 0.14 H new ATOM 0 HB2 GLU A 88 1.536 0.234 -10.072 1.00 0.14 H new ATOM 0 HB3 GLU A 88 0.646 -1.132 -9.429 1.00 0.14 H new ATOM 0 HG2 GLU A 88 -0.224 -1.739 -11.581 1.00 1.20 H new ATOM 0 HG3 GLU A 88 0.112 -0.161 -12.265 1.00 1.20 H new ATOM 1367 N PHE A 89 -0.235 2.926 -9.602 1.00 0.15 N ATOM 1368 CA PHE A 89 0.058 4.311 -10.038 1.00 0.14 C ATOM 1369 C PHE A 89 0.866 5.031 -8.950 1.00 0.13 C ATOM 1370 O PHE A 89 0.529 4.966 -7.781 1.00 0.15 O ATOM 1371 CB PHE A 89 -1.265 5.023 -10.299 1.00 0.16 C ATOM 1372 CG PHE A 89 -1.780 5.700 -9.024 1.00 0.17 C ATOM 1373 CD1 PHE A 89 -1.256 6.912 -8.600 1.00 0.14 C ATOM 1374 CD2 PHE A 89 -2.785 5.107 -8.280 1.00 0.21 C ATOM 1375 CE1 PHE A 89 -1.734 7.515 -7.452 1.00 0.14 C ATOM 1376 CE2 PHE A 89 -3.259 5.712 -7.135 1.00 0.22 C ATOM 1377 CZ PHE A 89 -2.735 6.916 -6.722 1.00 0.19 C ATOM 0 H PHE A 89 -0.365 2.807 -8.597 1.00 0.15 H new ATOM 0 HA PHE A 89 0.650 4.310 -10.953 1.00 0.14 H new ATOM 0 HB2 PHE A 89 -1.134 5.768 -11.084 1.00 0.16 H new ATOM 0 HB3 PHE A 89 -2.003 4.307 -10.660 1.00 0.16 H new ATOM 0 HD1 PHE A 89 -0.471 7.387 -9.170 1.00 0.14 H new ATOM 0 HD2 PHE A 89 -3.201 4.163 -8.599 1.00 0.21 H new ATOM 0 HE1 PHE A 89 -1.321 8.459 -7.127 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.043 5.240 -6.561 1.00 0.22 H new ATOM 0 HZ PHE A 89 -3.109 7.390 -5.826 1.00 0.19 H new ATOM 1387 N SER A 90 1.922 5.692 -9.360 1.00 0.10 N ATOM 1388 CA SER A 90 2.784 6.405 -8.363 1.00 0.08 C ATOM 1389 C SER A 90 2.664 7.922 -8.518 1.00 0.20 C ATOM 1390 O SER A 90 2.025 8.409 -9.431 1.00 0.20 O ATOM 1391 CB SER A 90 4.237 5.990 -8.580 1.00 0.06 C ATOM 1392 OG SER A 90 4.583 6.578 -9.827 1.00 0.17 O ATOM 0 H SER A 90 2.223 5.769 -10.332 1.00 0.10 H new ATOM 0 HA SER A 90 2.455 6.135 -7.359 1.00 0.08 H new ATOM 0 HB2 SER A 90 4.879 6.352 -7.777 1.00 0.06 H new ATOM 0 HB3 SER A 90 4.342 4.905 -8.608 1.00 0.06 H new ATOM 0 HG SER A 90 5.513 6.360 -10.045 1.00 0.17 H new ATOM 1398 N GLY A 91 3.291 8.632 -7.611 1.00 0.31 N ATOM 1399 CA GLY A 91 3.241 10.125 -7.665 1.00 0.45 C ATOM 1400 C GLY A 91 2.458 10.668 -6.471 1.00 0.46 C ATOM 1401 O GLY A 91 1.420 10.145 -6.119 1.00 0.60 O ATOM 0 H GLY A 91 3.833 8.243 -6.839 1.00 0.31 H new ATOM 0 HA2 GLY A 91 4.253 10.531 -7.661 1.00 0.45 H new ATOM 0 HA3 GLY A 91 2.772 10.447 -8.594 1.00 0.45 H new ATOM 1405 N ALA A 92 2.976 11.705 -5.866 1.00 0.42 N ATOM 1406 CA ALA A 92 2.271 12.297 -4.691 1.00 0.45 C ATOM 1407 C ALA A 92 0.839 12.683 -5.075 1.00 0.57 C ATOM 1408 O ALA A 92 0.562 13.825 -5.384 1.00 1.04 O ATOM 1409 CB ALA A 92 3.029 13.541 -4.230 1.00 0.51 C ATOM 0 H ALA A 92 3.848 12.164 -6.131 1.00 0.42 H new ATOM 0 HA ALA A 92 2.234 11.564 -3.885 1.00 0.45 H new ATOM 0 HB1 ALA A 92 2.520 13.980 -3.372 1.00 0.51 H new ATOM 0 HB2 ALA A 92 4.045 13.264 -3.947 1.00 0.51 H new ATOM 0 HB3 ALA A 92 3.063 14.268 -5.042 1.00 0.51 H new ATOM 1415 N ASN A 93 -0.040 11.719 -5.043 1.00 0.21 N ATOM 1416 CA ASN A 93 -1.458 12.003 -5.407 1.00 0.36 C ATOM 1417 C ASN A 93 -2.400 11.187 -4.517 1.00 0.42 C ATOM 1418 O ASN A 93 -2.599 10.008 -4.734 1.00 0.62 O ATOM 1419 CB ASN A 93 -1.682 11.633 -6.873 1.00 0.49 C ATOM 1420 CG ASN A 93 -2.584 12.681 -7.526 1.00 0.71 C ATOM 1421 OD1 ASN A 93 -2.386 13.067 -8.661 1.00 0.92 O ATOM 1422 ND2 ASN A 93 -3.585 13.166 -6.844 1.00 0.75 N ATOM 0 H ASN A 93 0.160 10.753 -4.783 1.00 0.21 H new ATOM 0 HA ASN A 93 -1.666 13.063 -5.260 1.00 0.36 H new ATOM 0 HB2 ASN A 93 -0.728 11.581 -7.397 1.00 0.49 H new ATOM 0 HB3 ASN A 93 -2.140 10.646 -6.945 1.00 0.49 H new ATOM 0 HD21 ASN A 93 -4.197 13.866 -7.264 1.00 0.75 H new ATOM 0 HD22 ASN A 93 -3.756 12.845 -5.891 1.00 0.75 H new ATOM 1429 N LYS A 94 -2.956 11.832 -3.531 1.00 0.42 N ATOM 1430 CA LYS A 94 -3.885 11.108 -2.621 1.00 0.46 C ATOM 1431 C LYS A 94 -5.324 11.234 -3.128 1.00 0.35 C ATOM 1432 O LYS A 94 -6.126 10.342 -2.953 1.00 0.17 O ATOM 1433 CB LYS A 94 -3.779 11.701 -1.217 1.00 0.60 C ATOM 1434 CG LYS A 94 -4.229 13.162 -1.253 1.00 0.81 C ATOM 1435 CD LYS A 94 -3.359 13.979 -0.296 1.00 0.78 C ATOM 1436 CE LYS A 94 -3.838 15.431 -0.298 1.00 1.25 C ATOM 1437 NZ LYS A 94 -4.969 15.608 0.654 1.00 2.35 N ATOM 0 H LYS A 94 -2.810 12.819 -3.317 1.00 0.42 H new ATOM 0 HA LYS A 94 -3.613 10.053 -2.595 1.00 0.46 H new ATOM 0 HB2 LYS A 94 -4.399 11.134 -0.522 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -2.752 11.633 -0.857 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -4.146 13.556 -2.266 1.00 0.81 H new ATOM 0 HG3 LYS A 94 -5.278 13.239 -0.966 1.00 0.81 H new ATOM 0 HD2 LYS A 94 -3.417 13.565 0.711 1.00 0.78 H new ATOM 0 HD3 LYS A 94 -2.314 13.928 -0.602 1.00 0.78 H new ATOM 0 HE2 LYS A 94 -3.016 16.092 -0.022 1.00 1.25 H new ATOM 0 HE3 LYS A 94 -4.152 15.715 -1.302 1.00 1.25 H new ATOM 0 HZ1 LYS A 94 -5.305 16.592 0.615 1.00 2.35 H new ATOM 0 HZ2 LYS A 94 -5.745 14.967 0.394 1.00 2.35 H new ATOM 0 HZ3 LYS A 94 -4.648 15.389 1.619 1.00 2.35 H new ATOM 1451 N GLU A 95 -5.622 12.344 -3.745 1.00 0.52 N ATOM 1452 CA GLU A 95 -6.999 12.535 -4.272 1.00 0.47 C ATOM 1453 C GLU A 95 -7.335 11.427 -5.275 1.00 0.34 C ATOM 1454 O GLU A 95 -8.487 11.106 -5.491 1.00 0.26 O ATOM 1455 CB GLU A 95 -7.085 13.895 -4.965 1.00 0.61 C ATOM 1456 CG GLU A 95 -8.542 14.366 -4.965 1.00 0.94 C ATOM 1457 CD GLU A 95 -8.664 15.635 -5.812 1.00 1.35 C ATOM 1458 OE1 GLU A 95 -8.334 16.679 -5.273 1.00 1.06 O ATOM 1459 OE2 GLU A 95 -9.081 15.489 -6.950 1.00 2.44 O ATOM 0 H GLU A 95 -4.978 13.119 -3.905 1.00 0.52 H new ATOM 0 HA GLU A 95 -7.711 12.494 -3.448 1.00 0.47 H new ATOM 0 HB2 GLU A 95 -6.455 14.620 -4.449 1.00 0.61 H new ATOM 0 HB3 GLU A 95 -6.714 13.820 -5.987 1.00 0.61 H new ATOM 0 HG2 GLU A 95 -9.189 13.585 -5.365 1.00 0.94 H new ATOM 0 HG3 GLU A 95 -8.873 14.563 -3.945 1.00 0.94 H new ATOM 1466 N LYS A 96 -6.315 10.864 -5.865 1.00 0.39 N ATOM 1467 CA LYS A 96 -6.547 9.775 -6.861 1.00 0.32 C ATOM 1468 C LYS A 96 -6.881 8.458 -6.147 1.00 0.25 C ATOM 1469 O LYS A 96 -7.644 7.655 -6.646 1.00 0.32 O ATOM 1470 CB LYS A 96 -5.281 9.592 -7.697 1.00 0.44 C ATOM 1471 CG LYS A 96 -5.547 8.542 -8.791 1.00 0.46 C ATOM 1472 CD LYS A 96 -5.273 9.138 -10.185 1.00 0.60 C ATOM 1473 CE LYS A 96 -3.760 9.231 -10.413 1.00 1.27 C ATOM 1474 NZ LYS A 96 -3.044 9.457 -9.126 1.00 2.26 N ATOM 0 H LYS A 96 -5.338 11.108 -5.703 1.00 0.39 H new ATOM 0 HA LYS A 96 -7.386 10.047 -7.501 1.00 0.32 H new ATOM 0 HB2 LYS A 96 -4.988 10.540 -8.149 1.00 0.44 H new ATOM 0 HB3 LYS A 96 -4.454 9.273 -7.062 1.00 0.44 H new ATOM 0 HG2 LYS A 96 -4.912 7.671 -8.630 1.00 0.46 H new ATOM 0 HG3 LYS A 96 -6.580 8.199 -8.732 1.00 0.46 H new ATOM 0 HD2 LYS A 96 -5.730 8.516 -10.954 1.00 0.60 H new ATOM 0 HD3 LYS A 96 -5.725 10.127 -10.265 1.00 0.60 H new ATOM 0 HE2 LYS A 96 -3.401 8.313 -10.878 1.00 1.27 H new ATOM 0 HE3 LYS A 96 -3.541 10.045 -11.104 1.00 1.27 H new ATOM 0 HZ1 LYS A 96 -2.044 9.668 -9.318 1.00 2.26 H new ATOM 0 HZ2 LYS A 96 -3.477 10.258 -8.624 1.00 2.26 H new ATOM 0 HZ3 LYS A 96 -3.110 8.602 -8.537 1.00 2.26 H new ATOM 1488 N LEU A 97 -6.299 8.268 -4.994 1.00 0.13 N ATOM 1489 CA LEU A 97 -6.560 7.007 -4.235 1.00 0.08 C ATOM 1490 C LEU A 97 -8.061 6.718 -4.170 1.00 0.13 C ATOM 1491 O LEU A 97 -8.527 5.755 -4.729 1.00 0.29 O ATOM 1492 CB LEU A 97 -6.025 7.160 -2.815 1.00 0.15 C ATOM 1493 CG LEU A 97 -4.492 7.181 -2.843 1.00 0.19 C ATOM 1494 CD1 LEU A 97 -3.978 7.537 -1.451 1.00 0.20 C ATOM 1495 CD2 LEU A 97 -3.950 5.795 -3.236 1.00 0.24 C ATOM 0 H LEU A 97 -5.659 8.924 -4.546 1.00 0.13 H new ATOM 0 HA LEU A 97 -6.062 6.182 -4.744 1.00 0.08 H new ATOM 0 HB2 LEU A 97 -6.403 8.080 -2.370 1.00 0.15 H new ATOM 0 HB3 LEU A 97 -6.376 6.337 -2.192 1.00 0.15 H new ATOM 0 HG LEU A 97 -4.156 7.917 -3.573 1.00 0.19 H new ATOM 0 HD11 LEU A 97 -2.888 7.555 -1.459 1.00 0.20 H new ATOM 0 HD12 LEU A 97 -4.355 8.519 -1.164 1.00 0.20 H new ATOM 0 HD13 LEU A 97 -4.323 6.792 -0.734 1.00 0.20 H new ATOM 0 HD21 LEU A 97 -2.860 5.822 -3.253 1.00 0.24 H new ATOM 0 HD22 LEU A 97 -4.284 5.054 -2.509 1.00 0.24 H new ATOM 0 HD23 LEU A 97 -4.321 5.526 -4.225 1.00 0.24 H new ATOM 1507 N GLU A 98 -8.779 7.564 -3.479 1.00 0.14 N ATOM 1508 CA GLU A 98 -10.259 7.355 -3.344 1.00 0.17 C ATOM 1509 C GLU A 98 -10.870 6.887 -4.664 1.00 0.12 C ATOM 1510 O GLU A 98 -11.268 5.749 -4.801 1.00 0.18 O ATOM 1511 CB GLU A 98 -10.910 8.670 -2.919 1.00 0.21 C ATOM 1512 CG GLU A 98 -12.330 8.390 -2.420 1.00 0.40 C ATOM 1513 CD GLU A 98 -12.266 7.706 -1.053 1.00 2.10 C ATOM 1514 OE1 GLU A 98 -11.155 7.570 -0.565 1.00 3.11 O ATOM 1515 OE2 GLU A 98 -13.332 7.356 -0.573 1.00 2.75 O ATOM 0 H GLU A 98 -8.411 8.388 -3.003 1.00 0.14 H new ATOM 0 HA GLU A 98 -10.437 6.585 -2.594 1.00 0.17 H new ATOM 0 HB2 GLU A 98 -10.322 9.143 -2.133 1.00 0.21 H new ATOM 0 HB3 GLU A 98 -10.937 9.364 -3.759 1.00 0.21 H new ATOM 0 HG2 GLU A 98 -12.891 9.322 -2.346 1.00 0.40 H new ATOM 0 HG3 GLU A 98 -12.858 7.755 -3.132 1.00 0.40 H new ATOM 1522 N ALA A 99 -10.938 7.773 -5.600 1.00 0.07 N ATOM 1523 CA ALA A 99 -11.529 7.403 -6.922 1.00 0.07 C ATOM 1524 C ALA A 99 -10.998 6.041 -7.383 1.00 0.12 C ATOM 1525 O ALA A 99 -11.761 5.162 -7.733 1.00 0.20 O ATOM 1526 CB ALA A 99 -11.159 8.469 -7.950 1.00 0.12 C ATOM 0 H ALA A 99 -10.614 8.737 -5.519 1.00 0.07 H new ATOM 0 HA ALA A 99 -12.613 7.340 -6.823 1.00 0.07 H new ATOM 0 HB1 ALA A 99 -11.587 8.206 -8.917 1.00 0.12 H new ATOM 0 HB2 ALA A 99 -11.551 9.434 -7.630 1.00 0.12 H new ATOM 0 HB3 ALA A 99 -10.074 8.529 -8.037 1.00 0.12 H new ATOM 1532 N THR A 100 -9.704 5.893 -7.373 1.00 0.20 N ATOM 1533 CA THR A 100 -9.112 4.595 -7.809 1.00 0.26 C ATOM 1534 C THR A 100 -9.704 3.446 -6.990 1.00 0.18 C ATOM 1535 O THR A 100 -10.052 2.415 -7.529 1.00 0.23 O ATOM 1536 CB THR A 100 -7.599 4.643 -7.609 1.00 0.33 C ATOM 1537 OG1 THR A 100 -7.178 5.810 -8.309 1.00 0.55 O ATOM 1538 CG2 THR A 100 -6.905 3.478 -8.309 1.00 0.41 C ATOM 0 H THR A 100 -9.034 6.606 -7.085 1.00 0.20 H new ATOM 0 HA THR A 100 -9.340 4.429 -8.862 1.00 0.26 H new ATOM 0 HB THR A 100 -7.362 4.619 -6.545 1.00 0.33 H new ATOM 0 HG1 THR A 100 -6.999 6.529 -7.668 1.00 0.55 H new ATOM 0 HG21 THR A 100 -5.829 3.544 -8.146 1.00 0.41 H new ATOM 0 HG22 THR A 100 -7.277 2.537 -7.904 1.00 0.41 H new ATOM 0 HG23 THR A 100 -7.113 3.520 -9.378 1.00 0.41 H new ATOM 1546 N ILE A 101 -9.802 3.640 -5.703 1.00 0.11 N ATOM 1547 CA ILE A 101 -10.383 2.567 -4.857 1.00 0.09 C ATOM 1548 C ILE A 101 -11.800 2.301 -5.323 1.00 0.17 C ATOM 1549 O ILE A 101 -12.252 1.176 -5.353 1.00 0.28 O ATOM 1550 CB ILE A 101 -10.390 3.010 -3.390 1.00 0.13 C ATOM 1551 CG1 ILE A 101 -9.009 2.756 -2.777 1.00 0.18 C ATOM 1552 CG2 ILE A 101 -11.439 2.204 -2.626 1.00 0.19 C ATOM 1553 CD1 ILE A 101 -8.684 3.883 -1.793 1.00 0.63 C ATOM 0 H ILE A 101 -9.509 4.483 -5.209 1.00 0.11 H new ATOM 0 HA ILE A 101 -9.787 1.658 -4.944 1.00 0.09 H new ATOM 0 HB ILE A 101 -10.627 4.072 -3.328 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -8.996 1.794 -2.265 1.00 0.18 H new ATOM 0 HG13 ILE A 101 -8.252 2.710 -3.560 1.00 0.18 H new ATOM 0 HG21 ILE A 101 -11.448 2.516 -1.582 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -12.422 2.377 -3.065 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -11.197 1.143 -2.686 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -7.702 3.709 -1.352 1.00 0.63 H new ATOM 0 HD12 ILE A 101 -8.681 4.837 -2.320 1.00 0.63 H new ATOM 0 HD13 ILE A 101 -9.437 3.906 -1.005 1.00 0.63 H new ATOM 1565 N ASN A 102 -12.469 3.353 -5.687 1.00 0.14 N ATOM 1566 CA ASN A 102 -13.856 3.198 -6.183 1.00 0.22 C ATOM 1567 C ASN A 102 -13.828 2.336 -7.442 1.00 0.31 C ATOM 1568 O ASN A 102 -14.844 1.839 -7.887 1.00 0.42 O ATOM 1569 CB ASN A 102 -14.427 4.577 -6.515 1.00 0.14 C ATOM 1570 CG ASN A 102 -15.886 4.647 -6.060 1.00 0.70 C ATOM 1571 OD1 ASN A 102 -16.593 3.659 -6.048 1.00 0.70 O ATOM 1572 ND2 ASN A 102 -16.373 5.795 -5.674 1.00 1.28 N ATOM 0 H ASN A 102 -12.116 4.310 -5.662 1.00 0.14 H new ATOM 0 HA ASN A 102 -14.479 2.724 -5.425 1.00 0.22 H new ATOM 0 HB2 ASN A 102 -13.843 5.353 -6.020 1.00 0.14 H new ATOM 0 HB3 ASN A 102 -14.360 4.762 -7.587 1.00 0.14 H new ATOM 0 HD21 ASN A 102 -17.343 5.859 -5.364 1.00 1.28 H new ATOM 0 HD22 ASN A 102 -15.784 6.628 -5.682 1.00 1.28 H new ATOM 1579 N GLU A 103 -12.650 2.178 -7.988 1.00 0.31 N ATOM 1580 CA GLU A 103 -12.515 1.354 -9.219 1.00 0.47 C ATOM 1581 C GLU A 103 -12.625 -0.139 -8.882 1.00 0.58 C ATOM 1582 O GLU A 103 -13.380 -0.861 -9.503 1.00 0.75 O ATOM 1583 CB GLU A 103 -11.152 1.629 -9.855 1.00 0.51 C ATOM 1584 CG GLU A 103 -11.227 1.309 -11.349 1.00 0.72 C ATOM 1585 CD GLU A 103 -9.841 1.474 -11.973 1.00 1.24 C ATOM 1586 OE1 GLU A 103 -8.913 0.955 -11.375 1.00 2.46 O ATOM 1587 OE2 GLU A 103 -9.788 2.108 -13.014 1.00 1.09 O ATOM 0 H GLU A 103 -11.783 2.582 -7.635 1.00 0.31 H new ATOM 0 HA GLU A 103 -13.315 1.616 -9.912 1.00 0.47 H new ATOM 0 HB2 GLU A 103 -10.871 2.672 -9.707 1.00 0.51 H new ATOM 0 HB3 GLU A 103 -10.384 1.021 -9.378 1.00 0.51 H new ATOM 0 HG2 GLU A 103 -11.586 0.290 -11.497 1.00 0.72 H new ATOM 0 HG3 GLU A 103 -11.940 1.972 -11.839 1.00 0.72 H new ATOM 1594 N LEU A 104 -11.868 -0.571 -7.903 1.00 0.50 N ATOM 1595 CA LEU A 104 -11.908 -2.021 -7.528 1.00 0.63 C ATOM 1596 C LEU A 104 -12.785 -2.255 -6.285 1.00 0.68 C ATOM 1597 O LEU A 104 -12.907 -3.371 -5.820 1.00 0.82 O ATOM 1598 CB LEU A 104 -10.482 -2.503 -7.237 1.00 0.59 C ATOM 1599 CG LEU A 104 -9.533 -1.985 -8.322 1.00 0.56 C ATOM 1600 CD1 LEU A 104 -8.156 -2.626 -8.133 1.00 0.55 C ATOM 1601 CD2 LEU A 104 -10.081 -2.369 -9.701 1.00 0.74 C ATOM 0 H LEU A 104 -11.232 0.007 -7.354 1.00 0.50 H new ATOM 0 HA LEU A 104 -12.339 -2.579 -8.359 1.00 0.63 H new ATOM 0 HB2 LEU A 104 -10.160 -2.148 -6.258 1.00 0.59 H new ATOM 0 HB3 LEU A 104 -10.455 -3.592 -7.206 1.00 0.59 H new ATOM 0 HG LEU A 104 -9.450 -0.901 -8.249 1.00 0.56 H new ATOM 0 HD11 LEU A 104 -7.476 -2.261 -8.903 1.00 0.55 H new ATOM 0 HD12 LEU A 104 -7.765 -2.365 -7.150 1.00 0.55 H new ATOM 0 HD13 LEU A 104 -8.245 -3.709 -8.212 1.00 0.55 H new ATOM 0 HD21 LEU A 104 -9.408 -2.002 -10.475 1.00 0.74 H new ATOM 0 HD22 LEU A 104 -10.159 -3.454 -9.772 1.00 0.74 H new ATOM 0 HD23 LEU A 104 -11.067 -1.925 -9.837 1.00 0.74 H new ATOM 1613 N VAL A 105 -13.377 -1.210 -5.767 1.00 0.59 N ATOM 1614 CA VAL A 105 -14.242 -1.395 -4.557 1.00 0.68 C ATOM 1615 C VAL A 105 -15.270 -2.502 -4.807 1.00 0.84 C ATOM 1616 O VAL A 105 -15.671 -2.617 -5.954 1.00 0.56 O ATOM 1617 CB VAL A 105 -14.969 -0.090 -4.243 1.00 0.61 C ATOM 1618 CG1 VAL A 105 -16.065 0.139 -5.286 1.00 0.60 C ATOM 1619 CG2 VAL A 105 -15.610 -0.191 -2.856 1.00 0.74 C ATOM 1620 OXT VAL A 105 -15.596 -3.169 -3.839 1.00 1.81 O ATOM 0 H VAL A 105 -13.304 -0.255 -6.118 1.00 0.59 H new ATOM 0 HA VAL A 105 -13.612 -1.677 -3.713 1.00 0.68 H new ATOM 0 HB VAL A 105 -14.261 0.739 -4.263 1.00 0.61 H new ATOM 0 HG11 VAL A 105 -16.588 1.070 -5.066 1.00 0.60 H new ATOM 0 HG12 VAL A 105 -15.617 0.200 -6.278 1.00 0.60 H new ATOM 0 HG13 VAL A 105 -16.773 -0.690 -5.258 1.00 0.60 H new ATOM 0 HG21 VAL A 105 -16.131 0.739 -2.627 1.00 0.74 H new ATOM 0 HG22 VAL A 105 -16.321 -1.017 -2.843 1.00 0.74 H new ATOM 0 HG23 VAL A 105 -14.836 -0.367 -2.109 1.00 0.74 H new