USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -71:sc= 1.71 USER MOD Set 1.2: A 57 SER OG : rot -42:sc= 0.488 USER MOD Set 2.1: A 22 THR OG1 : rot -59:sc= 0.287 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.292 K(o=0.58,f=0) USER MOD Set 3.1: A 7 THR OG1 : rot 135:sc= 0.617 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.549 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0398) USER MOD Single : A 1 MET N :NH3+ -166:sc= 2.11 (180deg=1.42) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 1.09 (180deg=1.06) USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.14) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00962 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.18) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0416) USER MOD Single : A 31 GLN : amide:sc= -0.0235 X(o=-0.024,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.0045) USER MOD Single : A 41 GLN : amide:sc= -0.0241 K(o=-0.024,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0878 K(o=-0.088,f=-1.7!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.249 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= 1.12 (180deg=-0.0376) USER MOD Single : A 65 SER OG : rot -101:sc= 0.00445 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.647 -7.268 -5.117 1.00 9.67 N ATOM 2 CA MET A 1 11.428 -7.203 -3.610 1.00 10.38 C ATOM 3 C MET A 1 10.029 -7.719 -3.140 1.00 9.62 C ATOM 4 O MET A 1 9.024 -7.337 -3.698 1.00 9.62 O ATOM 5 CB MET A 1 11.689 -5.725 -3.045 1.00 13.77 C ATOM 6 CG MET A 1 11.679 -5.520 -1.535 1.00 16.29 C ATOM 7 SD MET A 1 12.185 -3.788 -1.207 1.00 17.17 S ATOM 8 CE MET A 1 10.590 -2.893 -1.273 1.00 16.11 C ATOM 0 H1 MET A 1 12.657 -7.139 -5.327 1.00 9.67 H new ATOM 0 H2 MET A 1 11.335 -8.194 -5.474 1.00 9.67 H new ATOM 0 H3 MET A 1 11.099 -6.516 -5.580 1.00 9.67 H new ATOM 0 HA MET A 1 12.164 -7.889 -3.190 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.656 -5.391 -3.420 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.935 -5.066 -3.476 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.686 -5.712 -1.129 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.362 -6.217 -1.049 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.744 -1.853 -0.986 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.191 -2.934 -2.287 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.883 -3.358 -0.586 1.00 16.11 H new ATOM 20 N GLN A 2 9.988 -8.508 -2.092 1.00 9.27 N ATOM 21 CA GLN A 2 8.823 -8.963 -1.442 1.00 9.07 C ATOM 22 C GLN A 2 8.350 -8.059 -0.384 1.00 8.72 C ATOM 23 O GLN A 2 9.085 -7.548 0.393 1.00 8.22 O ATOM 24 CB GLN A 2 8.922 -10.415 -0.845 1.00 14.46 C ATOM 25 CG GLN A 2 7.616 -11.047 -0.247 1.00 17.01 C ATOM 26 CD GLN A 2 7.890 -12.498 0.234 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.053 -12.884 1.385 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.906 -13.317 -0.836 1.00 19.49 N ATOM 0 H GLN A 2 10.839 -8.863 -1.655 1.00 9.27 H new ATOM 0 HA GLN A 2 8.099 -8.982 -2.256 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.286 -11.077 -1.631 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.679 -10.405 -0.061 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.260 -10.442 0.586 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.827 -11.049 -0.999 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.764 -12.936 -1.772 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.060 -14.317 -0.710 1.00 19.49 H new ATOM 37 N ILE A 3 7.026 -7.748 -0.318 1.00 5.87 N ATOM 38 CA ILE A 3 6.466 -6.905 0.796 1.00 5.07 C ATOM 39 C ILE A 3 5.103 -7.531 1.154 1.00 4.01 C ATOM 40 O ILE A 3 4.514 -8.327 0.357 1.00 4.61 O ATOM 41 CB ILE A 3 6.176 -5.436 0.543 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.174 -5.207 -0.604 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.565 -4.818 0.318 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.757 -3.755 -0.562 1.00 10.83 C ATOM 0 H ILE A 3 6.334 -8.056 -1.002 1.00 5.87 H new ATOM 0 HA ILE A 3 7.252 -6.906 1.551 1.00 5.07 H new ATOM 0 HB ILE A 3 5.664 -4.956 1.377 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.630 -5.447 -1.565 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.307 -5.858 -0.491 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.461 -3.750 0.126 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.179 -4.969 1.206 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.042 -5.296 -0.538 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.045 -3.558 -1.364 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.291 -3.538 0.399 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.634 -3.121 -0.691 1.00 10.83 H new ATOM 56 N PHE A 4 4.675 -7.224 2.384 1.00 4.55 N ATOM 57 CA PHE A 4 3.488 -7.745 2.966 1.00 4.68 C ATOM 58 C PHE A 4 2.430 -6.600 3.226 1.00 5.30 C ATOM 59 O PHE A 4 2.779 -5.528 3.735 1.00 5.58 O ATOM 60 CB PHE A 4 3.718 -8.462 4.312 1.00 4.83 C ATOM 61 CG PHE A 4 4.855 -9.508 4.158 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.862 -10.434 3.190 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.784 -9.580 5.214 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.775 -11.510 3.225 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.657 -10.653 5.249 1.00 10.61 C ATOM 66 CZ PHE A 4 6.721 -11.622 4.212 1.00 8.90 C ATOM 0 H PHE A 4 5.178 -6.585 2.999 1.00 4.55 H new ATOM 0 HA PHE A 4 3.123 -8.470 2.239 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.980 -7.736 5.082 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.800 -8.953 4.636 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.160 -10.356 2.373 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.814 -8.817 5.977 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.727 -12.265 2.454 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.316 -10.758 6.098 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.470 -12.400 4.201 1.00 8.90 H new ATOM 76 N VAL A 5 1.137 -6.814 2.950 1.00 4.44 N ATOM 77 CA VAL A 5 0.063 -5.838 3.318 1.00 3.87 C ATOM 78 C VAL A 5 -1.073 -6.435 4.166 1.00 4.93 C ATOM 79 O VAL A 5 -1.919 -7.193 3.657 1.00 6.84 O ATOM 80 CB VAL A 5 -0.602 -5.255 2.111 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.654 -4.116 2.512 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.415 -4.597 1.190 1.00 9.13 C ATOM 0 H VAL A 5 0.794 -7.648 2.474 1.00 4.44 H new ATOM 0 HA VAL A 5 0.601 -5.087 3.897 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.104 -6.085 1.614 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.118 -3.715 1.611 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.423 -4.542 3.157 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.139 -3.315 3.042 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.096 -4.182 0.321 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.928 -3.798 1.726 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.143 -5.339 0.862 1.00 9.13 H new ATOM 92 N LYS A 6 -1.080 -6.080 5.478 1.00 6.04 N ATOM 93 CA LYS A 6 -2.014 -6.538 6.513 1.00 6.12 C ATOM 94 C LYS A 6 -3.319 -5.726 6.347 1.00 6.57 C ATOM 95 O LYS A 6 -3.292 -4.505 6.373 1.00 5.76 O ATOM 96 CB LYS A 6 -1.363 -6.295 7.918 1.00 7.45 C ATOM 97 CG LYS A 6 -2.078 -6.769 9.162 1.00 11.12 C ATOM 98 CD LYS A 6 -2.570 -8.144 8.969 1.00 14.54 C ATOM 99 CE LYS A 6 -3.053 -8.791 10.317 1.00 18.84 C ATOM 100 NZ LYS A 6 -3.262 -10.288 10.198 1.00 20.55 N ATOM 0 H LYS A 6 -0.390 -5.429 5.852 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.237 -7.601 6.423 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.379 -6.765 7.908 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.203 -5.222 8.022 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.402 -6.733 10.016 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.912 -6.104 9.387 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.393 -8.138 8.255 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.778 -8.755 8.537 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.318 -8.590 11.097 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.985 -8.320 10.629 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.498 -10.681 11.132 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -4.041 -10.478 9.536 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.391 -10.733 9.845 1.00 20.55 H new ATOM 114 N THR A 7 -4.452 -6.304 6.147 1.00 7.41 N ATOM 115 CA THR A 7 -5.769 -5.725 5.923 1.00 7.48 C ATOM 116 C THR A 7 -6.529 -5.493 7.235 1.00 8.75 C ATOM 117 O THR A 7 -6.175 -5.926 8.344 1.00 8.58 O ATOM 118 CB THR A 7 -6.626 -6.521 4.937 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.285 -7.674 5.506 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.781 -7.022 3.750 1.00 9.17 C ATOM 0 H THR A 7 -4.503 -7.323 6.131 1.00 7.41 H new ATOM 0 HA THR A 7 -5.578 -4.756 5.462 1.00 7.48 H new ATOM 0 HB THR A 7 -7.392 -5.813 4.622 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.218 -7.698 5.207 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.414 -7.585 3.064 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.347 -6.170 3.227 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.983 -7.666 4.118 1.00 9.17 H new ATOM 128 N LEU A 8 -7.721 -4.869 7.196 1.00 9.84 N ATOM 129 CA LEU A 8 -8.521 -4.759 8.390 1.00 14.15 C ATOM 130 C LEU A 8 -9.285 -6.019 8.631 1.00 17.37 C ATOM 131 O LEU A 8 -9.611 -6.356 9.739 1.00 17.01 O ATOM 132 CB LEU A 8 -9.499 -3.622 8.199 1.00 16.63 C ATOM 133 CG LEU A 8 -8.804 -2.230 8.272 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.795 -1.264 7.649 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.560 -1.765 9.748 1.00 18.59 C ATOM 0 H LEU A 8 -8.129 -4.448 6.361 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.870 -4.578 9.245 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.994 -3.729 7.234 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.274 -3.680 8.963 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.835 -2.271 7.774 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.379 -0.257 7.662 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.994 -1.561 6.619 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.725 -1.280 8.217 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.073 -0.790 9.746 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.515 -1.694 10.269 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.922 -2.488 10.256 1.00 18.59 H new ATOM 147 N THR A 9 -9.569 -6.772 7.527 1.00 18.33 N ATOM 148 CA THR A 9 -10.301 -8.024 7.516 1.00 19.24 C ATOM 149 C THR A 9 -9.442 -9.164 8.019 1.00 19.48 C ATOM 150 O THR A 9 -9.927 -10.269 8.306 1.00 23.14 O ATOM 151 CB THR A 9 -10.941 -8.364 6.206 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.015 -8.501 5.144 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.867 -7.192 5.914 1.00 19.70 C ATOM 0 H THR A 9 -9.270 -6.489 6.594 1.00 18.33 H new ATOM 0 HA THR A 9 -11.132 -7.873 8.205 1.00 19.24 H new ATOM 0 HB THR A 9 -11.447 -9.327 6.278 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.494 -8.724 4.319 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.379 -7.360 4.966 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.603 -7.102 6.713 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.283 -6.273 5.853 1.00 19.70 H new ATOM 161 N GLY A 10 -8.130 -8.872 8.235 1.00 19.43 N ATOM 162 CA GLY A 10 -7.166 -9.677 8.958 1.00 18.74 C ATOM 163 C GLY A 10 -6.298 -10.499 8.035 1.00 17.62 C ATOM 164 O GLY A 10 -5.344 -11.186 8.479 1.00 19.74 O ATOM 0 H GLY A 10 -7.715 -8.011 7.878 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.535 -9.027 9.564 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.692 -10.340 9.645 1.00 18.74 H new ATOM 168 N LYS A 11 -6.520 -10.439 6.713 1.00 13.56 N ATOM 169 CA LYS A 11 -5.615 -11.018 5.706 1.00 11.91 C ATOM 170 C LYS A 11 -4.269 -10.336 5.617 1.00 10.18 C ATOM 171 O LYS A 11 -4.036 -9.149 5.916 1.00 9.10 O ATOM 172 CB LYS A 11 -6.341 -11.009 4.295 1.00 13.43 C ATOM 173 CG LYS A 11 -5.583 -11.587 3.092 1.00 16.69 C ATOM 174 CD LYS A 11 -6.257 -11.451 1.708 1.00 17.92 C ATOM 175 CE LYS A 11 -7.400 -12.461 1.509 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.944 -12.214 0.171 1.00 21.93 N ATOM 0 H LYS A 11 -7.339 -9.984 6.309 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.397 -12.038 6.023 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.276 -11.560 4.397 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.603 -9.977 4.061 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.607 -11.104 3.043 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.406 -12.646 3.280 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.646 -10.439 1.595 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.510 -11.594 0.928 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.034 -13.484 1.596 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.169 -12.332 2.271 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.747 -12.852 -0.001 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.266 -11.227 0.104 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.206 -12.387 -0.541 1.00 21.93 H new ATOM 190 N THR A 12 -3.279 -11.091 5.118 1.00 9.63 N ATOM 191 CA THR A 12 -2.090 -10.468 4.735 1.00 9.85 C ATOM 192 C THR A 12 -1.898 -10.808 3.268 1.00 11.66 C ATOM 193 O THR A 12 -1.854 -11.958 2.847 1.00 12.33 O ATOM 194 CB THR A 12 -0.833 -10.908 5.514 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.902 -10.553 6.921 1.00 10.91 O ATOM 196 CG2 THR A 12 0.508 -10.308 4.963 1.00 9.63 C ATOM 0 H THR A 12 -3.313 -12.102 4.988 1.00 9.63 H new ATOM 0 HA THR A 12 -2.190 -9.403 4.944 1.00 9.85 H new ATOM 0 HB THR A 12 -0.824 -11.990 5.381 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.086 -10.852 7.374 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.342 -10.667 5.566 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.648 -10.620 3.928 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.467 -9.220 5.011 1.00 9.63 H new ATOM 204 N ILE A 13 -1.836 -9.759 2.415 1.00 10.42 N ATOM 205 CA ILE A 13 -1.565 -9.776 0.971 1.00 11.84 C ATOM 206 C ILE A 13 -0.061 -9.896 0.863 1.00 10.55 C ATOM 207 O ILE A 13 0.653 -9.125 1.487 1.00 11.92 O ATOM 208 CB ILE A 13 -2.154 -8.565 0.252 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.569 -8.341 0.717 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.039 -8.776 -1.222 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.196 -7.092 0.109 1.00 16.46 C ATOM 0 H ILE A 13 -1.987 -8.808 2.752 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.052 -10.610 0.465 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.603 -7.656 0.492 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.174 -9.210 0.458 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.581 -8.257 1.804 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.457 -7.917 -1.746 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.989 -8.891 -1.492 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.587 -9.675 -1.505 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.215 -6.980 0.479 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.610 -6.217 0.390 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.212 -7.185 -0.977 1.00 16.46 H new ATOM 223 N THR A 14 0.502 -10.755 0.007 1.00 9.39 N ATOM 224 CA THR A 14 1.965 -10.789 -0.235 1.00 9.63 C ATOM 225 C THR A 14 2.196 -10.288 -1.601 1.00 11.20 C ATOM 226 O THR A 14 1.721 -10.911 -2.532 1.00 11.63 O ATOM 227 CB THR A 14 2.491 -12.244 -0.150 1.00 10.38 C ATOM 228 OG1 THR A 14 2.085 -12.862 1.059 1.00 16.30 O ATOM 229 CG2 THR A 14 4.020 -12.419 -0.187 1.00 11.66 C ATOM 0 H THR A 14 -0.026 -11.440 -0.534 1.00 9.39 H new ATOM 0 HA THR A 14 2.480 -10.183 0.511 1.00 9.63 H new ATOM 0 HB THR A 14 2.066 -12.695 -1.047 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.428 -13.780 1.088 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.267 -13.479 -0.121 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.410 -12.013 -1.120 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.467 -11.889 0.654 1.00 11.66 H new ATOM 237 N LEU A 15 3.026 -9.235 -1.722 1.00 8.29 N ATOM 238 CA LEU A 15 3.239 -8.576 -3.043 1.00 9.03 C ATOM 239 C LEU A 15 4.684 -8.653 -3.429 1.00 8.59 C ATOM 240 O LEU A 15 5.528 -8.727 -2.550 1.00 7.79 O ATOM 241 CB LEU A 15 2.875 -7.035 -3.138 1.00 11.08 C ATOM 242 CG LEU A 15 1.443 -6.730 -2.643 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.265 -5.213 -2.597 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.398 -7.373 -3.676 1.00 15.27 C ATOM 0 H LEU A 15 3.551 -8.825 -0.950 1.00 8.29 H new ATOM 0 HA LEU A 15 2.559 -9.125 -3.695 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.589 -6.460 -2.549 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.976 -6.705 -4.172 1.00 11.08 H new ATOM 0 HG LEU A 15 1.275 -7.149 -1.651 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.260 -4.975 -2.250 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.997 -4.781 -1.914 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.412 -4.799 -3.595 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.619 -7.167 -3.341 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.549 -6.939 -4.664 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.552 -8.451 -3.726 1.00 15.27 H new ATOM 256 N GLU A 16 4.945 -8.607 -4.772 1.00 11.04 N ATOM 257 CA GLU A 16 6.276 -8.422 -5.297 1.00 11.50 C ATOM 258 C GLU A 16 6.381 -7.048 -5.929 1.00 10.13 C ATOM 259 O GLU A 16 5.541 -6.670 -6.776 1.00 9.83 O ATOM 260 CB GLU A 16 6.573 -9.518 -6.350 1.00 17.22 C ATOM 261 CG GLU A 16 7.924 -9.566 -7.029 1.00 23.33 C ATOM 262 CD GLU A 16 9.093 -9.950 -6.153 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.153 -11.067 -5.626 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.147 -9.155 -6.125 1.00 28.90 O ATOM 0 H GLU A 16 4.225 -8.699 -5.489 1.00 11.04 H new ATOM 0 HA GLU A 16 7.004 -8.499 -4.490 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.418 -10.483 -5.867 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.819 -9.429 -7.133 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.868 -10.274 -7.856 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.126 -8.586 -7.461 1.00 23.33 H new ATOM 271 N VAL A 17 7.342 -6.224 -5.507 1.00 8.99 N ATOM 272 CA VAL A 17 7.451 -4.851 -5.875 1.00 8.85 C ATOM 273 C VAL A 17 8.910 -4.459 -6.097 1.00 8.04 C ATOM 274 O VAL A 17 9.790 -5.158 -5.614 1.00 8.99 O ATOM 275 CB VAL A 17 6.927 -3.902 -4.734 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.414 -4.040 -4.463 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.553 -4.337 -3.363 1.00 10.54 C ATOM 0 H VAL A 17 8.084 -6.527 -4.876 1.00 8.99 H new ATOM 0 HA VAL A 17 6.859 -4.739 -6.783 1.00 8.85 H new ATOM 0 HB VAL A 17 7.184 -2.898 -5.070 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.123 -3.357 -3.665 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.858 -3.797 -5.369 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.190 -5.064 -4.163 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.190 -3.680 -2.573 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.265 -5.365 -3.141 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.639 -4.269 -3.421 1.00 10.54 H new ATOM 287 N GLU A 18 9.185 -3.354 -6.799 1.00 7.29 N ATOM 288 CA GLU A 18 10.550 -2.814 -6.743 1.00 7.08 C ATOM 289 C GLU A 18 10.589 -1.769 -5.653 1.00 6.45 C ATOM 290 O GLU A 18 9.533 -1.149 -5.395 1.00 5.28 O ATOM 291 CB GLU A 18 11.058 -2.247 -8.042 1.00 10.28 C ATOM 292 CG GLU A 18 11.130 -3.323 -9.102 1.00 12.65 C ATOM 293 CD GLU A 18 11.642 -2.748 -10.401 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.848 -2.083 -11.119 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.832 -2.977 -10.801 1.00 18.17 O ATOM 0 H GLU A 18 8.524 -2.840 -7.382 1.00 7.29 H new ATOM 0 HA GLU A 18 11.222 -3.646 -6.530 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.401 -1.444 -8.376 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.045 -1.810 -7.893 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.786 -4.127 -8.769 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.143 -3.759 -9.254 1.00 12.65 H new ATOM 302 N PRO A 19 11.711 -1.420 -5.002 1.00 7.24 N ATOM 303 CA PRO A 19 11.711 -0.285 -4.043 1.00 7.07 C ATOM 304 C PRO A 19 11.427 1.015 -4.729 1.00 6.65 C ATOM 305 O PRO A 19 11.035 1.956 -4.053 1.00 6.37 O ATOM 306 CB PRO A 19 13.137 -0.286 -3.415 1.00 7.61 C ATOM 307 CG PRO A 19 14.005 -1.010 -4.434 1.00 8.16 C ATOM 308 CD PRO A 19 13.025 -2.044 -5.117 1.00 7.49 C ATOM 0 HA PRO A 19 10.931 -0.397 -3.290 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.494 0.729 -3.240 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.146 -0.797 -2.452 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.424 -0.317 -5.164 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.844 -1.514 -3.955 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.293 -2.219 -6.159 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.052 -3.011 -4.614 1.00 7.49 H new ATOM 316 N SER A 20 11.601 1.055 -6.046 1.00 6.80 N ATOM 317 CA SER A 20 11.303 2.124 -6.918 1.00 6.28 C ATOM 318 C SER A 20 9.797 2.204 -7.290 1.00 8.45 C ATOM 319 O SER A 20 9.273 3.163 -7.877 1.00 7.26 O ATOM 320 CB SER A 20 12.091 2.015 -8.242 1.00 8.57 C ATOM 321 OG SER A 20 12.110 0.717 -8.842 1.00 11.13 O ATOM 0 H SER A 20 11.990 0.257 -6.548 1.00 6.80 H new ATOM 0 HA SER A 20 11.589 3.019 -6.366 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.666 2.720 -8.956 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.119 2.327 -8.059 1.00 8.57 H new ATOM 0 HG SER A 20 12.629 0.748 -9.673 1.00 11.13 H new ATOM 327 N ASP A 21 8.972 1.264 -6.805 1.00 7.50 N ATOM 328 CA ASP A 21 7.513 1.211 -7.114 1.00 7.70 C ATOM 329 C ASP A 21 6.691 2.166 -6.198 1.00 7.08 C ATOM 330 O ASP A 21 6.688 2.140 -4.936 1.00 8.11 O ATOM 331 CB ASP A 21 6.823 -0.188 -7.094 1.00 11.00 C ATOM 332 CG ASP A 21 7.175 -1.045 -8.291 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.469 -0.552 -9.397 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.112 -2.308 -8.151 1.00 14.36 O ATOM 0 H ASP A 21 9.285 0.515 -6.187 1.00 7.50 H new ATOM 0 HA ASP A 21 7.503 1.531 -8.156 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.109 -0.714 -6.183 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.742 -0.052 -7.058 1.00 11.00 H new ATOM 339 N THR A 22 6.243 3.300 -6.871 1.00 5.37 N ATOM 340 CA THR A 22 5.397 4.334 -6.224 1.00 6.01 C ATOM 341 C THR A 22 4.168 3.710 -5.543 1.00 8.01 C ATOM 342 O THR A 22 3.658 2.637 -5.918 1.00 8.11 O ATOM 343 CB THR A 22 4.834 5.426 -7.158 1.00 8.92 C ATOM 344 OG1 THR A 22 4.260 4.935 -8.357 1.00 10.22 O ATOM 345 CG2 THR A 22 5.938 6.420 -7.577 1.00 9.65 C ATOM 0 H THR A 22 6.463 3.497 -7.847 1.00 5.37 H new ATOM 0 HA THR A 22 6.093 4.796 -5.524 1.00 6.01 H new ATOM 0 HB THR A 22 4.052 5.901 -6.565 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.934 4.433 -8.861 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.514 7.179 -8.235 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.352 6.899 -6.690 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.729 5.885 -8.103 1.00 9.65 H new ATOM 353 N ILE A 23 3.578 4.477 -4.579 1.00 8.32 N ATOM 354 CA ILE A 23 2.371 4.101 -3.844 1.00 9.92 C ATOM 355 C ILE A 23 1.166 4.025 -4.787 1.00 10.01 C ATOM 356 O ILE A 23 0.290 3.150 -4.652 1.00 8.71 O ATOM 357 CB ILE A 23 2.107 5.105 -2.655 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.325 5.262 -1.753 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.773 4.880 -1.856 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.807 4.000 -1.073 1.00 12.30 C ATOM 0 H ILE A 23 3.948 5.386 -4.300 1.00 8.32 H new ATOM 0 HA ILE A 23 2.522 3.110 -3.415 1.00 9.92 H new ATOM 0 HB ILE A 23 1.940 6.063 -3.147 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.144 5.668 -2.347 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.092 6.000 -0.985 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.694 5.624 -1.064 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.077 4.977 -2.532 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.775 3.882 -1.418 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.677 4.228 -0.457 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.012 3.599 -0.444 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.080 3.262 -1.827 1.00 12.30 H new ATOM 372 N GLU A 24 1.136 4.821 -5.850 1.00 9.54 N ATOM 373 CA GLU A 24 0.198 4.685 -7.012 1.00 11.81 C ATOM 374 C GLU A 24 0.200 3.248 -7.564 1.00 11.14 C ATOM 375 O GLU A 24 -0.826 2.585 -7.722 1.00 10.62 O ATOM 376 CB GLU A 24 0.617 5.708 -8.045 1.00 19.24 C ATOM 377 CG GLU A 24 -0.168 5.626 -9.389 1.00 27.76 C ATOM 378 CD GLU A 24 0.250 6.663 -10.453 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.323 7.876 -10.047 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.630 6.245 -11.545 1.00 34.80 O ATOM 0 H GLU A 24 1.774 5.610 -5.952 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.832 4.875 -6.708 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.489 6.705 -7.624 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.680 5.584 -8.251 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.040 4.627 -9.807 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.231 5.750 -9.180 1.00 27.76 H new ATOM 387 N ASN A 25 1.391 2.655 -7.771 1.00 9.43 N ATOM 388 CA ASN A 25 1.520 1.383 -8.401 1.00 10.96 C ATOM 389 C ASN A 25 1.342 0.249 -7.417 1.00 9.68 C ATOM 390 O ASN A 25 0.970 -0.873 -7.798 1.00 9.33 O ATOM 391 CB ASN A 25 2.875 1.136 -8.985 1.00 16.78 C ATOM 392 CG ASN A 25 2.860 1.736 -10.367 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.578 1.092 -11.385 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.164 3.013 -10.522 1.00 24.70 N ATOM 0 H ASN A 25 2.280 3.071 -7.494 1.00 9.43 H new ATOM 0 HA ASN A 25 0.752 1.408 -9.174 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.651 1.594 -8.372 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.090 0.068 -9.028 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.160 3.429 -11.453 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.403 3.583 -9.710 1.00 24.70 H new ATOM 401 N VAL A 26 1.459 0.484 -6.096 1.00 6.52 N ATOM 402 CA VAL A 26 1.229 -0.515 -5.078 1.00 5.53 C ATOM 403 C VAL A 26 -0.268 -0.686 -4.860 1.00 4.42 C ATOM 404 O VAL A 26 -0.817 -1.748 -4.624 1.00 3.40 O ATOM 405 CB VAL A 26 1.905 -0.282 -3.736 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.464 -1.269 -2.593 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.408 -0.418 -3.980 1.00 8.12 C ATOM 0 H VAL A 26 1.721 1.394 -5.718 1.00 6.52 H new ATOM 0 HA VAL A 26 1.696 -1.417 -5.473 1.00 5.53 H new ATOM 0 HB VAL A 26 1.612 0.705 -3.378 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.999 -1.025 -1.675 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.391 -1.174 -2.424 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.696 -2.293 -2.887 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.944 -0.259 -3.044 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.626 -1.417 -4.359 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.727 0.325 -4.711 1.00 8.12 H new ATOM 417 N LYS A 27 -1.061 0.413 -5.028 1.00 2.64 N ATOM 418 CA LYS A 27 -2.507 0.295 -5.046 1.00 4.14 C ATOM 419 C LYS A 27 -3.099 -0.349 -6.277 1.00 5.58 C ATOM 420 O LYS A 27 -4.129 -0.994 -6.240 1.00 4.11 O ATOM 421 CB LYS A 27 -3.249 1.653 -4.794 1.00 3.97 C ATOM 422 CG LYS A 27 -3.013 2.338 -3.429 1.00 7.45 C ATOM 423 CD LYS A 27 -3.626 3.697 -3.171 1.00 9.02 C ATOM 424 CE LYS A 27 -3.014 4.933 -3.904 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.828 6.137 -3.627 1.00 15.47 N ATOM 0 H LYS A 27 -0.709 1.363 -5.149 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.678 -0.383 -4.210 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.955 2.350 -5.578 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.319 1.480 -4.906 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.376 1.662 -2.655 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.936 2.432 -3.291 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.682 3.642 -3.436 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.576 3.887 -2.099 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.988 5.093 -3.572 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.976 4.748 -4.978 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.520 6.914 -4.246 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.831 5.927 -3.807 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.706 6.417 -2.633 1.00 15.47 H new ATOM 439 N ALA A 28 -2.402 -0.262 -7.418 1.00 6.61 N ATOM 440 CA ALA A 28 -2.771 -0.913 -8.624 1.00 7.74 C ATOM 441 C ALA A 28 -2.573 -2.460 -8.422 1.00 9.17 C ATOM 442 O ALA A 28 -3.322 -3.239 -9.030 1.00 11.45 O ATOM 443 CB ALA A 28 -1.839 -0.435 -9.752 1.00 7.68 C ATOM 0 H ALA A 28 -1.546 0.286 -7.501 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.806 -0.689 -8.880 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.113 -0.929 -10.684 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.936 0.644 -9.871 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.807 -0.681 -9.501 1.00 7.68 H new ATOM 449 N LYS A 29 -1.586 -2.921 -7.680 1.00 8.96 N ATOM 450 CA LYS A 29 -1.356 -4.324 -7.435 1.00 7.90 C ATOM 451 C LYS A 29 -2.341 -4.936 -6.438 1.00 6.92 C ATOM 452 O LYS A 29 -2.846 -6.032 -6.712 1.00 6.87 O ATOM 453 CB LYS A 29 0.078 -4.616 -6.868 1.00 10.28 C ATOM 454 CG LYS A 29 1.163 -4.239 -7.822 1.00 14.94 C ATOM 455 CD LYS A 29 2.587 -4.739 -7.377 1.00 19.69 C ATOM 456 CE LYS A 29 3.782 -4.246 -8.224 1.00 22.63 C ATOM 457 NZ LYS A 29 3.500 -4.551 -9.677 1.00 24.98 N ATOM 0 H LYS A 29 -0.908 -2.313 -7.221 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.485 -4.775 -8.419 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.214 -4.069 -5.935 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.161 -5.677 -6.630 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.932 -4.651 -8.805 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.183 -3.154 -7.928 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.750 -4.432 -6.344 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.586 -5.829 -7.389 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.929 -3.175 -8.084 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.701 -4.738 -7.905 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.342 -4.334 -10.247 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.262 -5.558 -9.780 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.702 -3.971 -10.005 1.00 24.98 H new ATOM 471 N ILE A 30 -2.741 -4.206 -5.336 1.00 4.57 N ATOM 472 CA ILE A 30 -3.780 -4.658 -4.436 1.00 5.58 C ATOM 473 C ILE A 30 -5.138 -4.769 -5.143 1.00 7.26 C ATOM 474 O ILE A 30 -5.921 -5.720 -4.838 1.00 9.46 O ATOM 475 CB ILE A 30 -3.829 -3.740 -3.221 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.483 -3.939 -2.422 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.054 -4.060 -2.321 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.305 -2.989 -1.181 1.00 2.00 C ATOM 0 H ILE A 30 -2.336 -3.305 -5.081 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.542 -5.666 -4.095 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.936 -2.703 -3.541 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.429 -4.973 -2.081 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.646 -3.784 -3.103 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.060 -3.388 -1.463 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.971 -3.926 -2.894 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.991 -5.091 -1.974 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.352 -3.199 -0.696 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.322 -1.951 -1.512 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.117 -3.158 -0.474 1.00 2.00 H new ATOM 490 N GLN A 31 -5.391 -3.898 -6.088 1.00 7.06 N ATOM 491 CA GLN A 31 -6.579 -3.993 -6.976 1.00 8.67 C ATOM 492 C GLN A 31 -6.526 -5.279 -7.831 1.00 10.90 C ATOM 493 O GLN A 31 -7.521 -5.948 -8.014 1.00 9.63 O ATOM 494 CB GLN A 31 -6.639 -2.872 -7.996 1.00 9.12 C ATOM 495 CG GLN A 31 -7.815 -2.838 -9.002 1.00 10.76 C ATOM 496 CD GLN A 31 -7.765 -1.608 -10.014 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.632 -0.765 -9.969 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.652 -1.446 -10.741 1.00 14.76 N ATOM 0 H GLN A 31 -4.794 -3.094 -6.283 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.433 -3.962 -6.300 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.646 -1.929 -7.449 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.714 -2.900 -8.572 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.818 -3.766 -9.574 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.753 -2.802 -8.448 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.942 -2.178 -10.756 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.515 -0.591 -11.280 1.00 14.76 H new ATOM 507 N ASP A 32 -5.381 -5.743 -8.368 1.00 10.93 N ATOM 508 CA ASP A 32 -5.185 -6.917 -9.079 1.00 14.01 C ATOM 509 C ASP A 32 -5.406 -8.148 -8.212 1.00 14.04 C ATOM 510 O ASP A 32 -5.990 -9.175 -8.583 1.00 13.39 O ATOM 511 CB ASP A 32 -3.753 -6.864 -9.751 1.00 18.01 C ATOM 512 CG ASP A 32 -3.594 -7.891 -10.879 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.470 -7.927 -11.765 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.562 -8.594 -10.894 1.00 26.29 O ATOM 0 H ASP A 32 -4.513 -5.215 -8.277 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.929 -7.003 -9.871 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.578 -5.864 -10.148 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.992 -7.043 -8.991 1.00 18.01 H new ATOM 519 N LYS A 33 -4.939 -8.072 -6.912 1.00 14.22 N ATOM 520 CA LYS A 33 -5.200 -9.112 -5.969 1.00 14.00 C ATOM 521 C LYS A 33 -6.652 -9.233 -5.511 1.00 12.37 C ATOM 522 O LYS A 33 -7.291 -10.270 -5.584 1.00 12.17 O ATOM 523 CB LYS A 33 -4.369 -9.052 -4.701 1.00 18.62 C ATOM 524 CG LYS A 33 -2.867 -9.028 -4.918 1.00 24.00 C ATOM 525 CD LYS A 33 -2.213 -10.303 -5.494 1.00 27.61 C ATOM 526 CE LYS A 33 -0.749 -10.221 -5.802 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.356 -11.580 -6.217 1.00 30.06 N ATOM 0 H LYS A 33 -4.392 -7.293 -6.545 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.923 -9.980 -6.568 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.654 -8.162 -4.140 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.617 -9.913 -4.081 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.636 -8.199 -5.587 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.392 -8.808 -3.962 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.368 -11.116 -4.785 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.740 -10.573 -6.409 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.555 -9.498 -6.594 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.182 -9.898 -4.929 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.658 -11.593 -6.447 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.544 -12.248 -5.442 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.905 -11.859 -7.055 1.00 30.06 H new ATOM 541 N GLU A 34 -7.218 -8.120 -4.951 1.00 10.11 N ATOM 542 CA GLU A 34 -8.415 -8.254 -4.113 1.00 10.07 C ATOM 543 C GLU A 34 -9.592 -7.530 -4.798 1.00 9.32 C ATOM 544 O GLU A 34 -10.748 -7.685 -4.383 1.00 11.61 O ATOM 545 CB GLU A 34 -8.246 -7.599 -2.769 1.00 14.77 C ATOM 546 CG GLU A 34 -7.032 -8.048 -1.934 1.00 18.75 C ATOM 547 CD GLU A 34 -7.261 -9.416 -1.378 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.141 -9.695 -0.516 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.632 -10.357 -1.859 1.00 25.19 O ATOM 0 H GLU A 34 -6.871 -7.168 -5.067 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.592 -9.322 -3.982 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.176 -6.522 -2.921 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.148 -7.781 -2.185 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.135 -8.046 -2.554 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.860 -7.342 -1.121 1.00 18.75 H new ATOM 556 N GLY A 35 -9.353 -6.786 -5.894 1.00 7.22 N ATOM 557 CA GLY A 35 -10.423 -6.171 -6.643 1.00 6.29 C ATOM 558 C GLY A 35 -10.802 -4.748 -6.159 1.00 6.93 C ATOM 559 O GLY A 35 -11.749 -4.084 -6.600 1.00 7.41 O ATOM 0 H GLY A 35 -8.421 -6.606 -6.267 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.134 -6.120 -7.693 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.305 -6.809 -6.585 1.00 6.29 H new ATOM 563 N ILE A 36 -10.022 -4.179 -5.165 1.00 5.86 N ATOM 564 CA ILE A 36 -10.377 -2.938 -4.487 1.00 6.07 C ATOM 565 C ILE A 36 -9.871 -1.767 -5.299 1.00 6.36 C ATOM 566 O ILE A 36 -8.632 -1.807 -5.578 1.00 6.18 O ATOM 567 CB ILE A 36 -9.851 -2.841 -2.972 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.358 -4.149 -2.179 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.371 -1.545 -2.230 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.497 -4.514 -0.976 1.00 9.49 C ATOM 0 H ILE A 36 -9.146 -4.588 -4.839 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.465 -2.918 -4.416 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.763 -2.782 -2.993 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.382 -3.984 -1.844 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.380 -4.994 -2.868 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.986 -1.530 -1.210 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.026 -0.658 -2.761 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.461 -1.552 -2.206 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.902 -5.404 -0.495 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.477 -4.712 -1.305 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.495 -3.687 -0.266 1.00 9.49 H new ATOM 582 N PRO A 37 -10.566 -0.730 -5.693 1.00 8.65 N ATOM 583 CA PRO A 37 -9.941 0.273 -6.551 1.00 9.18 C ATOM 584 C PRO A 37 -8.994 1.170 -5.775 1.00 9.85 C ATOM 585 O PRO A 37 -9.244 1.369 -4.604 1.00 8.51 O ATOM 586 CB PRO A 37 -11.237 0.979 -7.165 1.00 11.42 C ATOM 587 CG PRO A 37 -12.335 0.790 -6.113 1.00 9.27 C ATOM 588 CD PRO A 37 -12.040 -0.510 -5.403 1.00 8.33 C ATOM 0 HA PRO A 37 -9.274 -0.102 -7.327 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.055 2.036 -7.358 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.520 0.525 -8.115 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.343 1.622 -5.409 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.319 0.760 -6.582 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.235 -0.439 -4.333 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.653 -1.327 -5.785 1.00 8.33 H new ATOM 596 N PRO A 38 -7.923 1.708 -6.381 1.00 8.71 N ATOM 597 CA PRO A 38 -6.921 2.548 -5.727 1.00 9.08 C ATOM 598 C PRO A 38 -7.405 3.737 -4.879 1.00 9.28 C ATOM 599 O PRO A 38 -6.798 3.961 -3.807 1.00 6.50 O ATOM 600 CB PRO A 38 -5.991 3.041 -6.845 1.00 10.31 C ATOM 601 CG PRO A 38 -6.035 1.931 -7.845 1.00 10.81 C ATOM 602 CD PRO A 38 -7.466 1.449 -7.771 1.00 12.00 C ATOM 0 HA PRO A 38 -6.445 1.921 -4.973 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.339 3.981 -7.272 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.979 3.213 -6.479 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.780 2.281 -8.845 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.330 1.138 -7.596 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.092 1.977 -8.491 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.531 0.388 -8.010 1.00 12.00 H new ATOM 610 N ASP A 39 -8.449 4.473 -5.284 1.00 11.20 N ATOM 611 CA ASP A 39 -8.856 5.713 -4.622 1.00 14.96 C ATOM 612 C ASP A 39 -9.782 5.509 -3.473 1.00 13.99 C ATOM 613 O ASP A 39 -10.285 6.370 -2.714 1.00 13.75 O ATOM 614 CB ASP A 39 -9.608 6.663 -5.570 1.00 24.16 C ATOM 615 CG ASP A 39 -8.701 7.228 -6.623 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.745 7.981 -6.391 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.898 6.810 -7.791 1.00 34.22 O ATOM 0 H ASP A 39 -9.034 4.222 -6.081 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.908 6.131 -4.283 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.429 6.127 -6.046 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.049 7.477 -4.995 1.00 24.16 H new ATOM 622 N GLN A 40 -10.028 4.191 -3.202 1.00 11.60 N ATOM 623 CA GLN A 40 -10.764 3.614 -2.134 1.00 10.76 C ATOM 624 C GLN A 40 -9.795 3.054 -1.079 1.00 8.01 C ATOM 625 O GLN A 40 -10.122 2.748 0.058 1.00 8.96 O ATOM 626 CB GLN A 40 -11.669 2.477 -2.536 1.00 11.14 C ATOM 627 CG GLN A 40 -12.702 2.040 -1.553 1.00 14.85 C ATOM 628 CD GLN A 40 -13.632 1.033 -2.222 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.791 -0.048 -1.633 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.334 1.395 -3.340 1.00 18.16 N ATOM 0 H GLN A 40 -9.657 3.467 -3.817 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.388 4.424 -1.755 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.179 2.762 -3.456 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.043 1.616 -2.772 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.226 1.591 -0.681 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.271 2.899 -1.198 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.160 2.298 -3.781 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.031 0.762 -3.732 1.00 18.16 H new ATOM 639 N GLN A 41 -8.461 2.961 -1.555 1.00 6.52 N ATOM 640 CA GLN A 41 -7.398 2.435 -0.635 1.00 3.87 C ATOM 641 C GLN A 41 -6.800 3.634 0.061 1.00 4.79 C ATOM 642 O GLN A 41 -6.665 4.693 -0.512 1.00 6.34 O ATOM 643 CB GLN A 41 -6.305 1.646 -1.327 1.00 4.20 C ATOM 644 CG GLN A 41 -6.893 0.384 -1.956 1.00 3.20 C ATOM 645 CD GLN A 41 -5.894 -0.355 -2.825 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.736 -0.649 -2.457 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.332 -0.560 -4.060 1.00 7.13 N ATOM 0 H GLN A 41 -8.147 3.225 -2.489 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.861 1.729 0.054 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.832 2.259 -2.094 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.529 1.378 -0.610 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.244 -0.281 -1.167 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.762 0.653 -2.556 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.286 -0.303 -4.312 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.714 -0.975 -4.758 1.00 7.13 H new ATOM 656 N ARG A 42 -6.393 3.437 1.287 1.00 5.73 N ATOM 657 CA ARG A 42 -5.534 4.303 2.083 1.00 6.97 C ATOM 658 C ARG A 42 -4.380 3.450 2.695 1.00 7.15 C ATOM 659 O ARG A 42 -4.616 2.468 3.404 1.00 7.33 O ATOM 660 CB ARG A 42 -6.366 5.029 3.120 1.00 13.23 C ATOM 661 CG ARG A 42 -5.520 6.103 3.790 1.00 21.27 C ATOM 662 CD ARG A 42 -6.231 6.993 4.801 1.00 26.14 C ATOM 663 NE ARG A 42 -7.123 7.942 4.079 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.076 8.673 4.674 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.407 8.376 5.936 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.812 9.462 3.925 1.00 36.39 N ATOM 0 H ARG A 42 -6.670 2.603 1.805 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.070 5.073 1.466 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.240 5.480 2.650 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.734 4.324 3.865 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.684 5.616 4.292 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.097 6.739 3.012 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.813 6.384 5.493 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.501 7.543 5.396 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.001 8.042 3.071 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -7.938 7.610 6.420 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.129 8.915 6.414 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.651 9.506 2.919 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.545 10.030 4.350 1.00 36.39 H new ATOM 680 N LEU A 43 -3.118 3.774 2.336 1.00 4.65 N ATOM 681 CA LEU A 43 -1.957 2.943 2.741 1.00 3.51 C ATOM 682 C LEU A 43 -1.222 3.575 3.987 1.00 5.56 C ATOM 683 O LEU A 43 -1.085 4.808 4.096 1.00 4.19 O ATOM 684 CB LEU A 43 -0.935 2.515 1.647 1.00 3.74 C ATOM 685 CG LEU A 43 -1.640 1.646 0.546 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.740 1.263 -0.672 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.172 0.322 1.098 1.00 6.41 C ATOM 0 H LEU A 43 -2.877 4.591 1.775 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.427 1.994 2.999 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.490 3.399 1.191 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.123 1.948 2.102 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.441 2.305 0.212 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.317 0.664 -1.376 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.392 2.170 -1.167 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.118 0.688 -0.324 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.650 -0.241 0.296 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.346 -0.260 1.507 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.899 0.522 1.885 1.00 6.41 H new ATOM 699 N ILE A 44 -0.755 2.721 4.925 1.00 4.58 N ATOM 700 CA ILE A 44 -0.167 3.028 6.252 1.00 5.55 C ATOM 701 C ILE A 44 1.165 2.337 6.435 1.00 5.46 C ATOM 702 O ILE A 44 1.313 1.124 6.355 1.00 6.04 O ATOM 703 CB ILE A 44 -1.147 2.789 7.400 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.512 3.572 7.217 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.547 3.057 8.800 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.459 5.069 7.403 1.00 13.90 C ATOM 0 H ILE A 44 -0.781 1.715 4.761 1.00 4.58 H new ATOM 0 HA ILE A 44 0.037 4.098 6.281 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.364 1.722 7.350 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.892 3.366 6.217 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.236 3.166 7.923 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.302 2.866 9.562 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.307 2.399 8.962 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.222 4.095 8.864 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.453 5.490 7.252 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.117 5.298 8.412 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.768 5.501 6.679 1.00 13.90 H new ATOM 718 N PHE A 45 2.237 3.111 6.778 1.00 6.75 N ATOM 719 CA PHE A 45 3.512 2.542 7.113 1.00 4.70 C ATOM 720 C PHE A 45 4.149 3.307 8.267 1.00 6.34 C ATOM 721 O PHE A 45 4.268 4.512 8.281 1.00 5.45 O ATOM 722 CB PHE A 45 4.462 2.475 5.904 1.00 5.51 C ATOM 723 CG PHE A 45 5.710 1.617 6.340 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.537 0.211 6.465 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.927 2.236 6.392 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.647 -0.590 6.830 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.085 1.450 6.825 1.00 6.64 C ATOM 728 CZ PHE A 45 7.895 0.025 7.023 1.00 6.84 C ATOM 0 H PHE A 45 2.210 4.130 6.820 1.00 6.75 H new ATOM 0 HA PHE A 45 3.335 1.514 7.428 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.963 2.021 5.047 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.770 3.476 5.601 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.572 -0.240 6.284 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.032 3.276 6.121 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.535 -1.657 6.958 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.046 1.914 6.991 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.737 -0.580 7.327 1.00 6.84 H new ATOM 738 N ALA A 46 4.600 2.624 9.325 1.00 6.53 N ATOM 739 CA ALA A 46 5.247 3.143 10.495 1.00 7.15 C ATOM 740 C ALA A 46 4.420 4.258 11.270 1.00 9.00 C ATOM 741 O ALA A 46 4.970 5.312 11.589 1.00 11.15 O ATOM 742 CB ALA A 46 6.769 3.550 10.292 1.00 8.99 C ATOM 0 H ALA A 46 4.505 1.609 9.370 1.00 6.53 H new ATOM 0 HA ALA A 46 5.266 2.278 11.158 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.172 3.931 11.230 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.341 2.676 9.980 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.840 4.323 9.526 1.00 8.99 H new ATOM 748 N GLY A 47 3.177 3.948 11.574 1.00 9.35 N ATOM 749 CA GLY A 47 2.179 4.884 12.134 1.00 11.68 C ATOM 750 C GLY A 47 1.522 5.869 11.236 1.00 11.14 C ATOM 751 O GLY A 47 0.647 6.573 11.733 1.00 13.93 O ATOM 0 H GLY A 47 2.804 3.008 11.439 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.393 4.287 12.596 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.666 5.443 12.933 1.00 11.68 H new ATOM 755 N LYS A 48 1.783 5.937 9.849 1.00 10.47 N ATOM 756 CA LYS A 48 1.336 7.101 9.144 1.00 8.82 C ATOM 757 C LYS A 48 1.030 6.912 7.683 1.00 7.68 C ATOM 758 O LYS A 48 1.298 5.858 7.148 1.00 6.47 O ATOM 759 CB LYS A 48 2.416 8.227 9.388 1.00 9.74 C ATOM 760 CG LYS A 48 3.847 7.912 8.965 1.00 14.14 C ATOM 761 CD LYS A 48 4.825 9.079 9.304 1.00 16.32 C ATOM 762 CE LYS A 48 6.299 8.956 8.823 1.00 20.04 C ATOM 763 NZ LYS A 48 6.392 9.171 7.387 1.00 23.92 N ATOM 0 H LYS A 48 2.265 5.229 9.294 1.00 10.47 H new ATOM 0 HA LYS A 48 0.360 7.378 9.543 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.096 9.125 8.860 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.421 8.468 10.451 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.181 7.002 9.464 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.874 7.716 7.893 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.411 9.995 8.883 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.836 9.202 10.387 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.919 9.684 9.346 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.687 7.969 9.074 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.384 9.085 7.087 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.817 8.460 6.892 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.042 10.122 7.155 1.00 23.92 H new ATOM 777 N GLN A 49 0.480 7.929 7.042 1.00 8.89 N ATOM 778 CA GLN A 49 -0.229 7.775 5.743 1.00 7.18 C ATOM 779 C GLN A 49 0.627 8.090 4.583 1.00 8.23 C ATOM 780 O GLN A 49 1.564 8.876 4.716 1.00 9.70 O ATOM 781 CB GLN A 49 -1.531 8.633 5.798 1.00 11.67 C ATOM 782 CG GLN A 49 -2.361 8.641 4.544 1.00 15.82 C ATOM 783 CD GLN A 49 -3.610 9.464 4.712 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.054 9.653 5.836 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.244 10.030 3.648 1.00 20.67 N ATOM 0 H GLN A 49 0.501 8.888 7.389 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.497 6.729 5.596 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.149 8.269 6.619 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.257 9.661 6.037 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.771 9.039 3.719 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.631 7.619 4.279 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.887 9.882 2.704 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.076 10.602 3.795 1.00 20.67 H new ATOM 794 N LEU A 50 0.374 7.394 3.485 1.00 6.51 N ATOM 795 CA LEU A 50 1.312 7.438 2.360 1.00 7.41 C ATOM 796 C LEU A 50 0.772 8.194 1.145 1.00 8.27 C ATOM 797 O LEU A 50 -0.368 7.919 0.711 1.00 8.34 O ATOM 798 CB LEU A 50 1.773 6.020 1.908 1.00 7.13 C ATOM 799 CG LEU A 50 2.146 4.967 2.931 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.701 3.658 2.273 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.043 5.529 3.999 1.00 9.11 C ATOM 0 H LEU A 50 -0.447 6.806 3.344 1.00 6.51 H new ATOM 0 HA LEU A 50 2.170 7.986 2.750 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.974 5.603 1.295 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.637 6.156 1.257 1.00 7.13 H new ATOM 0 HG LEU A 50 1.228 4.663 3.433 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.952 2.938 3.052 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.943 3.232 1.615 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.594 3.892 1.694 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.290 4.746 4.716 1.00 9.11 H new ATOM 0 HD22 LEU A 50 3.959 5.907 3.544 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.531 6.343 4.513 1.00 9.11 H new ATOM 813 N GLU A 51 1.576 9.134 0.695 1.00 9.43 N ATOM 814 CA GLU A 51 1.310 9.962 -0.464 1.00 11.90 C ATOM 815 C GLU A 51 1.681 9.219 -1.748 1.00 11.49 C ATOM 816 O GLU A 51 2.657 8.474 -1.869 1.00 9.88 O ATOM 817 CB GLU A 51 2.132 11.285 -0.388 1.00 16.56 C ATOM 818 CG GLU A 51 1.498 12.151 0.740 1.00 26.06 C ATOM 819 CD GLU A 51 1.927 13.590 0.765 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.135 13.842 0.916 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.077 14.524 0.557 1.00 33.44 O ATOM 0 H GLU A 51 2.466 9.351 1.143 1.00 9.43 H new ATOM 0 HA GLU A 51 0.245 10.195 -0.474 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.180 11.076 -0.171 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.103 11.812 -1.341 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.414 12.114 0.637 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.742 11.700 1.702 1.00 26.06 H new ATOM 828 N ASP A 52 0.909 9.444 -2.817 1.00 12.71 N ATOM 829 CA ASP A 52 0.940 8.639 -3.998 1.00 16.56 C ATOM 830 C ASP A 52 2.172 8.716 -4.846 1.00 15.83 C ATOM 831 O ASP A 52 2.654 7.729 -5.386 1.00 17.21 O ATOM 832 CB ASP A 52 -0.259 9.083 -4.919 1.00 21.05 C ATOM 833 CG ASP A 52 -1.576 8.952 -4.239 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.843 9.702 -3.267 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.399 8.166 -4.742 1.00 28.37 O ATOM 0 H ASP A 52 0.239 10.211 -2.866 1.00 12.71 H new ATOM 0 HA ASP A 52 0.894 7.615 -3.627 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.113 10.119 -5.226 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.260 8.479 -5.826 1.00 21.05 H new ATOM 840 N GLY A 53 2.784 9.929 -4.923 1.00 15.00 N ATOM 841 CA GLY A 53 3.922 10.184 -5.848 1.00 11.77 C ATOM 842 C GLY A 53 5.248 9.711 -5.322 1.00 11.10 C ATOM 843 O GLY A 53 6.239 9.683 -6.018 1.00 11.25 O ATOM 0 H GLY A 53 2.512 10.737 -4.363 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.722 9.691 -6.800 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.982 11.254 -6.049 1.00 11.77 H new ATOM 847 N ARG A 54 5.229 9.416 -4.065 1.00 8.53 N ATOM 848 CA ARG A 54 6.377 8.897 -3.376 1.00 9.05 C ATOM 849 C ARG A 54 6.536 7.412 -3.700 1.00 8.96 C ATOM 850 O ARG A 54 5.536 6.717 -4.076 1.00 11.60 O ATOM 851 CB ARG A 54 6.274 9.011 -1.868 1.00 7.97 C ATOM 852 CG ARG A 54 5.711 10.299 -1.349 1.00 9.62 C ATOM 853 CD ARG A 54 6.619 11.493 -1.599 1.00 12.20 C ATOM 854 NE ARG A 54 5.887 12.748 -1.087 1.00 18.23 N ATOM 855 CZ ARG A 54 6.423 13.623 -0.274 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.732 13.767 -0.102 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.663 14.489 0.396 1.00 23.38 N ATOM 0 H ARG A 54 4.406 9.528 -3.473 1.00 8.53 H new ATOM 0 HA ARG A 54 7.226 9.492 -3.713 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.655 8.192 -1.502 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.268 8.874 -1.443 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.744 10.481 -1.819 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.532 10.205 -0.278 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.570 11.366 -1.082 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.844 11.587 -2.661 1.00 12.20 H new ATOM 0 HE ARG A 54 4.929 12.906 -1.400 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.382 13.176 -0.620 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.087 14.469 0.548 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.650 14.476 0.279 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.095 15.165 1.026 1.00 23.38 H new ATOM 871 N THR A 55 7.752 6.862 -3.548 1.00 9.05 N ATOM 872 CA THR A 55 8.041 5.504 -3.701 1.00 9.03 C ATOM 873 C THR A 55 8.264 4.769 -2.392 1.00 8.15 C ATOM 874 O THR A 55 8.187 5.426 -1.355 1.00 5.91 O ATOM 875 CB THR A 55 9.348 5.330 -4.605 1.00 11.15 C ATOM 876 OG1 THR A 55 10.514 5.789 -3.949 1.00 11.95 O ATOM 877 CG2 THR A 55 9.305 6.252 -5.923 1.00 11.71 C ATOM 0 H THR A 55 8.573 7.416 -3.303 1.00 9.05 H new ATOM 0 HA THR A 55 7.162 5.064 -4.173 1.00 9.03 H new ATOM 0 HB THR A 55 9.369 4.263 -4.828 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.495 6.767 -3.894 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.214 6.099 -6.504 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.438 5.983 -6.527 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.233 7.300 -5.632 1.00 11.71 H new ATOM 885 N LEU A 56 8.397 3.411 -2.405 1.00 6.91 N ATOM 886 CA LEU A 56 8.611 2.563 -1.186 1.00 8.29 C ATOM 887 C LEU A 56 9.905 2.929 -0.520 1.00 8.05 C ATOM 888 O LEU A 56 9.992 2.931 0.700 1.00 10.17 O ATOM 889 CB LEU A 56 8.471 1.068 -1.682 1.00 6.60 C ATOM 890 CG LEU A 56 7.038 0.593 -2.098 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.103 -0.784 -2.812 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.062 0.544 -0.898 1.00 8.64 C ATOM 0 H LEU A 56 8.359 2.867 -3.267 1.00 6.91 H new ATOM 0 HA LEU A 56 7.879 2.721 -0.394 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.136 0.929 -2.535 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.829 0.412 -0.889 1.00 6.60 H new ATOM 0 HG LEU A 56 6.646 1.332 -2.796 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.097 -1.096 -3.093 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.720 -0.701 -3.707 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.537 -1.523 -2.139 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.083 0.209 -1.239 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.442 -0.150 -0.148 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.973 1.538 -0.460 1.00 8.64 H new ATOM 904 N SER A 57 10.938 3.235 -1.342 1.00 8.92 N ATOM 905 CA SER A 57 12.282 3.529 -0.872 1.00 9.00 C ATOM 906 C SER A 57 12.365 4.801 -0.024 1.00 9.44 C ATOM 907 O SER A 57 13.087 4.852 0.996 1.00 10.91 O ATOM 908 CB SER A 57 13.313 3.748 -2.049 1.00 10.32 C ATOM 909 OG SER A 57 13.138 4.912 -2.913 1.00 13.59 O ATOM 0 H SER A 57 10.844 3.281 -2.357 1.00 8.92 H new ATOM 0 HA SER A 57 12.532 2.648 -0.281 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.310 3.805 -1.612 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.292 2.859 -2.680 1.00 10.32 H new ATOM 0 HG SER A 57 12.187 5.024 -3.122 1.00 13.59 H new ATOM 915 N ASP A 58 11.555 5.789 -0.449 1.00 9.11 N ATOM 916 CA ASP A 58 11.344 7.099 0.179 1.00 7.91 C ATOM 917 C ASP A 58 10.803 7.087 1.596 1.00 9.12 C ATOM 918 O ASP A 58 11.162 7.960 2.405 1.00 8.61 O ATOM 919 CB ASP A 58 10.382 8.073 -0.589 1.00 8.41 C ATOM 920 CG ASP A 58 10.880 8.362 -1.964 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.010 8.923 -2.224 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.097 8.092 -2.904 1.00 11.70 O ATOM 0 H ASP A 58 10.996 5.682 -1.296 1.00 9.11 H new ATOM 0 HA ASP A 58 12.376 7.449 0.158 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.387 7.632 -0.647 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.286 9.005 -0.032 1.00 8.41 H new ATOM 927 N TYR A 59 9.951 6.086 1.907 1.00 7.97 N ATOM 928 CA TYR A 59 9.448 5.907 3.252 1.00 8.45 C ATOM 929 C TYR A 59 10.322 4.922 4.056 1.00 10.98 C ATOM 930 O TYR A 59 9.877 4.307 5.034 1.00 12.95 O ATOM 931 CB TYR A 59 7.981 5.359 3.168 1.00 7.94 C ATOM 932 CG TYR A 59 7.048 6.378 2.626 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.722 7.448 3.532 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.334 6.236 1.432 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.745 8.427 3.220 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.360 7.191 1.113 1.00 6.52 C ATOM 937 CZ TYR A 59 5.123 8.194 1.962 1.00 6.76 C ATOM 938 OH TYR A 59 4.327 9.241 1.473 1.00 7.63 O ATOM 0 H TYR A 59 9.608 5.400 1.234 1.00 7.97 H new ATOM 0 HA TYR A 59 9.472 6.868 3.766 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.959 4.472 2.535 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.649 5.052 4.160 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.238 7.507 4.479 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.530 5.406 0.769 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.500 9.257 3.866 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.806 7.117 0.189 1.00 6.52 H new ATOM 0 HH TYR A 59 4.678 10.097 1.796 1.00 7.63 H new ATOM 948 N ASN A 60 11.600 4.620 3.541 1.00 12.38 N ATOM 949 CA ASN A 60 12.455 3.635 4.101 1.00 13.94 C ATOM 950 C ASN A 60 11.993 2.180 4.208 1.00 14.16 C ATOM 951 O ASN A 60 12.603 1.467 4.994 1.00 14.26 O ATOM 952 CB ASN A 60 12.904 4.179 5.550 1.00 19.23 C ATOM 953 CG ASN A 60 13.805 5.393 5.438 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.570 6.530 5.837 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.982 5.133 4.787 1.00 24.09 N ATOM 0 H ASN A 60 11.998 5.091 2.728 1.00 12.38 H new ATOM 0 HA ASN A 60 13.254 3.532 3.367 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.019 4.435 6.133 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.424 3.388 6.091 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.658 5.882 4.636 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.183 4.190 4.453 1.00 24.09 H new ATOM 962 N ILE A 61 10.984 1.754 3.414 1.00 11.08 N ATOM 963 CA ILE A 61 10.465 0.418 3.425 1.00 11.78 C ATOM 964 C ILE A 61 11.493 -0.578 2.811 1.00 13.74 C ATOM 965 O ILE A 61 12.254 -0.131 1.892 1.00 14.60 O ATOM 966 CB ILE A 61 9.178 0.379 2.661 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.118 1.228 3.353 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.634 -1.036 2.510 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.077 1.801 2.439 1.00 11.42 C ATOM 0 H ILE A 61 10.516 2.363 2.743 1.00 11.08 H new ATOM 0 HA ILE A 61 10.281 0.117 4.456 1.00 11.78 H new ATOM 0 HB ILE A 61 9.399 0.775 1.670 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.622 0.620 4.109 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.613 2.047 3.876 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.700 -1.009 1.949 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.360 -1.650 1.977 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.452 -1.463 3.496 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.367 2.389 3.020 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.556 2.440 1.697 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.550 0.991 1.934 1.00 11.42 H new ATOM 981 N GLN A 62 11.573 -1.779 3.456 1.00 13.97 N ATOM 982 CA GLN A 62 12.512 -2.766 3.034 1.00 15.52 C ATOM 983 C GLN A 62 11.780 -4.124 2.857 1.00 13.94 C ATOM 984 O GLN A 62 10.647 -4.353 3.263 1.00 12.15 O ATOM 985 CB GLN A 62 13.662 -2.913 4.085 1.00 19.53 C ATOM 986 CG GLN A 62 14.357 -1.571 4.514 1.00 26.38 C ATOM 987 CD GLN A 62 15.520 -1.866 5.459 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.593 -2.313 5.035 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.274 -1.882 6.812 1.00 32.71 N ATOM 0 H GLN A 62 10.994 -2.048 4.251 1.00 13.97 H new ATOM 0 HA GLN A 62 12.951 -2.459 2.085 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.258 -3.394 4.976 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.421 -3.581 3.678 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.719 -1.041 3.633 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.635 -0.918 5.005 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.393 -1.517 7.175 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.972 -2.259 7.453 1.00 32.71 H new ATOM 998 N LYS A 63 12.500 -5.124 2.273 1.00 11.73 N ATOM 999 CA LYS A 63 12.029 -6.460 2.016 1.00 11.97 C ATOM 1000 C LYS A 63 11.423 -7.180 3.189 1.00 10.41 C ATOM 1001 O LYS A 63 12.000 -7.286 4.280 1.00 9.59 O ATOM 1002 CB LYS A 63 13.148 -7.373 1.399 1.00 13.73 C ATOM 1003 CG LYS A 63 14.435 -7.442 2.303 1.00 16.98 C ATOM 1004 CD LYS A 63 15.502 -8.349 1.738 1.00 20.19 C ATOM 1005 CE LYS A 63 15.156 -9.808 1.641 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.926 -10.366 2.980 1.00 25.97 N ATOM 0 H LYS A 63 13.463 -4.985 1.966 1.00 11.73 H new ATOM 0 HA LYS A 63 11.224 -6.293 1.301 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.754 -8.379 1.256 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.420 -6.994 0.414 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.844 -6.439 2.422 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.156 -7.792 3.297 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.761 -7.992 0.741 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.396 -8.250 2.354 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.265 -9.938 1.027 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.964 -10.349 1.148 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.495 -11.229 3.099 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.202 -9.667 3.699 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 13.918 -10.598 3.091 1.00 25.97 H new ATOM 1020 N GLU A 64 10.268 -7.770 2.869 1.00 10.04 N ATOM 1021 CA GLU A 64 9.533 -8.582 3.792 1.00 10.94 C ATOM 1022 C GLU A 64 8.943 -7.828 4.962 1.00 9.74 C ATOM 1023 O GLU A 64 8.732 -8.435 6.036 1.00 9.42 O ATOM 1024 CB GLU A 64 10.311 -9.875 4.242 1.00 18.31 C ATOM 1025 CG GLU A 64 10.768 -10.744 3.010 1.00 24.16 C ATOM 1026 CD GLU A 64 11.673 -11.936 3.339 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.197 -12.858 4.062 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.840 -11.956 2.940 1.00 32.61 O ATOM 0 H GLU A 64 9.829 -7.686 1.952 1.00 10.04 H new ATOM 0 HA GLU A 64 8.674 -8.922 3.214 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.184 -9.588 4.828 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.674 -10.474 4.893 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.879 -11.116 2.501 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.291 -10.097 2.306 1.00 24.16 H new ATOM 1035 N SER A 65 8.664 -6.524 4.774 1.00 6.85 N ATOM 1036 CA SER A 65 8.128 -5.649 5.790 1.00 6.90 C ATOM 1037 C SER A 65 6.661 -5.354 5.557 1.00 4.72 C ATOM 1038 O SER A 65 6.047 -5.694 4.524 1.00 3.91 O ATOM 1039 CB SER A 65 9.026 -4.350 5.905 1.00 7.28 C ATOM 1040 OG SER A 65 8.819 -3.577 7.101 1.00 10.56 O ATOM 0 H SER A 65 8.815 -6.054 3.881 1.00 6.85 H new ATOM 0 HA SER A 65 8.165 -6.153 6.756 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.074 -4.645 5.857 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.833 -3.715 5.041 1.00 7.28 H new ATOM 0 HG SER A 65 8.258 -2.800 6.895 1.00 10.56 H new ATOM 1046 N THR A 66 6.101 -4.847 6.644 1.00 4.48 N ATOM 1047 CA THR A 66 4.656 -4.997 6.849 1.00 3.80 C ATOM 1048 C THR A 66 3.952 -3.625 6.704 1.00 4.60 C ATOM 1049 O THR A 66 3.888 -2.705 7.559 1.00 5.33 O ATOM 1050 CB THR A 66 4.209 -5.541 8.175 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.964 -6.685 8.519 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.754 -6.037 8.103 1.00 3.40 C ATOM 0 H THR A 66 6.598 -4.344 7.379 1.00 4.48 H new ATOM 0 HA THR A 66 4.384 -5.729 6.089 1.00 3.80 H new ATOM 0 HB THR A 66 4.328 -4.733 8.896 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.662 -7.027 9.386 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.454 -6.426 9.076 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.101 -5.210 7.826 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.675 -6.827 7.356 1.00 3.40 H new ATOM 1060 N LEU A 67 3.280 -3.472 5.612 1.00 4.17 N ATOM 1061 CA LEU A 67 2.440 -2.425 5.233 1.00 3.85 C ATOM 1062 C LEU A 67 1.098 -2.684 5.897 1.00 3.80 C ATOM 1063 O LEU A 67 0.667 -3.758 6.213 1.00 5.54 O ATOM 1064 CB LEU A 67 2.366 -2.299 3.634 1.00 7.18 C ATOM 1065 CG LEU A 67 3.514 -1.592 2.814 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.573 -0.133 3.212 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.895 -2.171 3.170 1.00 11.66 C ATOM 0 H LEU A 67 3.326 -4.182 4.881 1.00 4.17 H new ATOM 0 HA LEU A 67 2.816 -1.457 5.563 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.270 -3.311 3.240 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.439 -1.776 3.399 1.00 7.18 H new ATOM 0 HG LEU A 67 3.296 -1.738 1.756 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.363 0.365 2.651 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.617 0.343 2.993 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.781 -0.055 4.279 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.664 -1.663 2.588 1.00 11.66 H new ATOM 0 HD22 LEU A 67 5.088 -2.024 4.233 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.913 -3.237 2.942 1.00 11.66 H new ATOM 1079 N HIS A 68 0.362 -1.615 6.101 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.981 -1.637 6.670 1.00 4.17 C ATOM 1081 C HIS A 68 -1.949 -1.012 5.579 1.00 5.32 C ATOM 1082 O HIS A 68 -1.625 0.041 5.008 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.195 -0.975 8.037 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.883 -1.960 9.109 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.709 -2.949 9.596 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.332 -2.164 9.721 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.013 -3.701 10.463 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.245 -3.237 10.551 1.00 16.30 N ATOM 0 H HIS A 68 0.684 -0.675 5.871 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.193 -2.681 6.901 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.555 -0.098 8.134 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.225 -0.630 8.131 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.217 -1.565 9.566 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.404 -4.549 11.006 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.993 -3.618 11.131 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.163 -1.632 5.392 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.227 -1.207 4.499 1.00 3.97 C ATOM 1098 C LEU A 69 -5.371 -0.849 5.404 1.00 5.07 C ATOM 1099 O LEU A 69 -5.769 -1.656 6.276 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.632 -2.391 3.493 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.867 -2.245 2.534 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.675 -1.005 1.644 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.918 -3.462 1.607 1.00 9.96 C ATOM 0 H LEU A 69 -3.408 -2.482 5.900 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.928 -0.367 3.872 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.762 -2.591 2.867 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.800 -3.282 4.098 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.777 -2.160 3.128 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.530 -0.900 0.977 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.592 -0.117 2.270 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.766 -1.118 1.053 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.772 -3.372 0.936 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.000 -3.512 1.022 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.018 -4.369 2.203 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.890 0.321 5.149 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.214 0.682 5.624 1.00 6.26 C ATOM 1117 C VAL A 70 -7.961 1.252 4.502 1.00 9.22 C ATOM 1118 O VAL A 70 -7.432 1.833 3.575 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.150 1.688 6.780 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.243 1.214 7.898 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.630 3.028 6.349 1.00 8.54 C ATOM 0 H VAL A 70 -5.420 1.050 4.613 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.710 -0.211 6.005 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.180 1.774 7.126 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.228 1.958 8.695 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.615 0.268 8.292 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.233 1.075 7.513 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.605 3.701 7.206 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.623 2.915 5.947 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.283 3.442 5.581 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.270 0.968 4.444 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.223 1.374 3.391 1.00 16.06 C ATOM 1133 C LEU A 71 -10.979 2.686 3.718 1.00 18.09 C ATOM 1134 O LEU A 71 -11.304 2.997 4.878 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.252 0.285 3.029 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.602 -1.047 2.565 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.690 -2.100 2.188 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.843 -0.805 1.261 1.00 19.57 C ATOM 0 H LEU A 71 -9.723 0.416 5.173 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.582 1.543 2.526 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.884 0.090 3.896 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.902 0.658 2.238 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.968 -1.396 3.380 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.207 -3.023 1.867 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.317 -2.302 3.056 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.307 -1.712 1.377 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.384 -1.736 0.929 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.535 -0.449 0.498 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.068 -0.056 1.425 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.201 3.455 2.657 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.884 4.710 2.666 1.00 25.83 C ATOM 1152 C ARG A 72 -13.287 4.503 3.041 1.00 27.74 C ATOM 1153 O ARG A 72 -14.064 3.953 2.307 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.799 5.495 1.343 1.00 28.49 C ATOM 1155 CG ARG A 72 -12.080 7.013 1.338 1.00 31.79 C ATOM 1156 CD ARG A 72 -12.202 7.588 -0.072 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.811 9.003 0.025 1.00 35.08 N ATOM 1158 CZ ARG A 72 -11.171 9.678 -0.897 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -11.033 9.234 -2.111 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.556 10.789 -0.566 1.00 35.02 N ATOM 0 H ARG A 72 -10.885 3.190 1.724 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.372 5.327 3.404 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.797 5.347 0.940 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.495 5.032 0.644 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -13.001 7.209 1.886 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.278 7.528 1.867 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -11.556 7.053 -0.768 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -13.222 7.491 -0.445 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.059 9.499 0.881 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -11.430 8.331 -2.372 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -10.528 9.788 -2.802 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.580 11.117 0.399 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.054 11.324 -1.274 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.681 5.031 4.226 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.096 5.249 4.560 1.00 30.76 C ATOM 1176 C LEU A 73 -15.721 6.342 3.672 1.00 32.18 C ATOM 1177 O LEU A 73 -15.109 7.392 3.387 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.214 5.665 6.000 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.518 4.802 7.072 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -14.840 5.255 8.498 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.881 3.330 7.033 1.00 29.11 C ATOM 0 H LEU A 73 -13.032 5.311 4.962 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.630 4.314 4.388 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.824 6.679 6.086 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.275 5.710 6.247 1.00 30.53 H new ATOM 0 HG LEU A 73 -13.465 4.936 6.825 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -14.323 4.611 9.210 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -14.512 6.285 8.635 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -15.915 5.191 8.666 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.345 2.802 7.822 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.954 3.216 7.185 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.605 2.913 6.065 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.974 6.163 3.221 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.749 7.230 2.551 1.00 35.33 C ATOM 1195 C ARG A 74 -18.215 8.237 3.590 1.00 36.22 C ATOM 1196 O ARG A 74 -18.071 9.448 3.399 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.936 6.527 1.854 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.689 5.549 0.742 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.156 6.098 -0.515 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.856 5.049 -1.458 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.522 5.198 -2.765 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.283 6.364 -3.284 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.504 4.079 -3.499 1.00 41.93 N ATOM 0 H ARG A 74 -17.479 5.281 3.308 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.160 7.780 1.817 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.499 6.003 2.626 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.587 7.307 1.459 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.994 4.791 1.104 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.628 5.041 0.521 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.881 6.785 -0.951 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.254 6.674 -0.309 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.899 4.093 -1.105 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.344 7.202 -2.706 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.034 6.442 -4.270 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.733 3.183 -3.069 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -17.261 4.122 -4.489 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.678 7.663 4.733 1.00 36.31 N ATOM 1218 CA GLY A 75 -19.183 8.419 5.897 1.00 36.07 C ATOM 1219 C GLY A 75 -18.067 8.949 6.751 1.00 36.16 C ATOM 1220 O GLY A 75 -18.354 9.805 7.604 1.00 36.26 O ATOM 0 H GLY A 75 -18.709 6.652 4.867 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.800 9.248 5.551 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.824 7.774 6.498 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.746 8.608 6.520 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.659 9.164 7.343 1.00 36.19 C ATOM 1226 C GLY A 76 -14.392 9.254 6.592 1.00 36.20 C ATOM 1227 O GLY A 76 -14.353 10.086 5.674 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.378 8.571 6.883 1.00 0.00 O ATOM 0 H GLY A 76 -16.439 7.968 5.787 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.942 10.155 7.697 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.515 8.539 8.225 1.00 36.19 H new TER 1232 GLY A 76