USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 60 ASN : amide:sc= -0.0718 K(o=-0.072,f=-1.2!) USER MOD Set 1.2: A 62 GLN : amide:sc= 0 X(o=-0.072,f=-0.072) USER MOD Set 2.1: A 55 THR OG1 : rot 122:sc= 0.00402 USER MOD Set 2.2: A 57 SER OG : rot -75:sc= 1.1 USER MOD Set 3.1: A 22 THR OG1 : rot -57:sc= 0.378 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.12 K(o=1.5,f=-5!) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -136:sc= 0.943 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 171:sc= 0.842 USER MOD Single : A 1 MET CE :methyl 170:sc= -0.213 (180deg=-0.586) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.03 (180deg=0.996) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= 0.58 (180deg=-0.00517) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -40:sc= 0.128 USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 31 GLN : amide:sc= -0.235 K(o=-0.23,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= 0.136 K(o=0.14,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc=-0.00832 (180deg=-0.374) USER MOD Single : A 49 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.63) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.0342 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 60:sc= 1.2 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) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.587 -6.998 -5.567 1.00 9.67 N ATOM 2 CA MET A 1 11.245 -6.889 -4.074 1.00 10.38 C ATOM 3 C MET A 1 9.890 -7.447 -3.604 1.00 9.62 C ATOM 4 O MET A 1 8.944 -7.482 -4.412 1.00 9.62 O ATOM 5 CB MET A 1 11.299 -5.458 -3.616 1.00 13.77 C ATOM 6 CG MET A 1 11.251 -5.173 -2.136 1.00 16.29 C ATOM 7 SD MET A 1 11.704 -3.493 -1.889 1.00 17.17 S ATOM 8 CE MET A 1 10.036 -2.764 -1.987 1.00 16.11 C ATOM 0 H1 MET A 1 12.564 -6.678 -5.724 1.00 9.67 H new ATOM 0 H2 MET A 1 11.494 -7.988 -5.873 1.00 9.67 H new ATOM 0 H3 MET A 1 10.935 -6.403 -6.117 1.00 9.67 H new ATOM 0 HA MET A 1 12.009 -7.526 -3.629 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.216 -5.019 -4.008 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.468 -4.929 -4.082 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.251 -5.359 -1.745 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.931 -5.834 -1.599 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.077 -1.719 -1.679 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.671 -2.826 -3.012 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.361 -3.310 -1.328 1.00 16.11 H new ATOM 20 N GLN A 2 9.778 -7.935 -2.319 1.00 9.27 N ATOM 21 CA GLN A 2 8.561 -8.578 -1.843 1.00 9.07 C ATOM 22 C GLN A 2 8.191 -7.915 -0.519 1.00 8.72 C ATOM 23 O GLN A 2 8.996 -7.825 0.410 1.00 8.22 O ATOM 24 CB GLN A 2 8.694 -10.093 -1.602 1.00 14.46 C ATOM 25 CG GLN A 2 7.402 -10.809 -1.127 1.00 17.01 C ATOM 26 CD GLN A 2 7.264 -12.153 -1.803 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.550 -12.257 -2.820 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.842 -13.234 -1.287 1.00 19.49 N ATOM 0 H GLN A 2 10.523 -7.882 -1.625 1.00 9.27 H new ATOM 0 HA GLN A 2 7.805 -8.458 -2.619 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.030 -10.562 -2.527 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.474 -10.258 -0.859 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.428 -10.940 -0.045 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.533 -10.191 -1.352 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.427 -13.152 -0.455 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.701 -14.145 -1.723 1.00 19.49 H new ATOM 37 N ILE A 3 6.947 -7.368 -0.424 1.00 5.87 N ATOM 38 CA ILE A 3 6.386 -6.771 0.809 1.00 5.07 C ATOM 39 C ILE A 3 5.015 -7.330 1.170 1.00 4.01 C ATOM 40 O ILE A 3 4.284 -7.905 0.378 1.00 4.61 O ATOM 41 CB ILE A 3 6.290 -5.238 0.677 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.442 -4.827 -0.514 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.706 -4.640 0.831 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.199 -3.290 -0.490 1.00 10.83 C ATOM 0 H ILE A 3 6.303 -7.332 -1.214 1.00 5.87 H new ATOM 0 HA ILE A 3 7.073 -7.035 1.613 1.00 5.07 H new ATOM 0 HB ILE A 3 5.721 -4.782 1.487 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.941 -5.110 -1.441 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.488 -5.355 -0.491 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.655 -3.555 0.740 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.108 -4.903 1.809 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.356 -5.039 0.052 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.590 -3.004 -1.348 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.681 -3.018 0.430 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.156 -2.770 -0.535 1.00 10.83 H new ATOM 56 N PHE A 4 4.579 -7.104 2.444 1.00 4.55 N ATOM 57 CA PHE A 4 3.339 -7.717 2.962 1.00 4.68 C ATOM 58 C PHE A 4 2.383 -6.649 3.557 1.00 5.30 C ATOM 59 O PHE A 4 2.760 -5.931 4.441 1.00 5.58 O ATOM 60 CB PHE A 4 3.699 -8.718 4.096 1.00 4.83 C ATOM 61 CG PHE A 4 4.835 -9.619 3.668 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.550 -10.650 2.729 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.078 -9.501 4.284 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.575 -11.555 2.381 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.037 -10.436 3.950 1.00 10.61 C ATOM 66 CZ PHE A 4 6.835 -11.416 3.020 1.00 8.90 C ATOM 0 H PHE A 4 5.066 -6.510 3.115 1.00 4.55 H new ATOM 0 HA PHE A 4 2.843 -8.218 2.131 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.980 -8.171 4.996 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.826 -9.319 4.349 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.567 -10.738 2.291 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.283 -8.712 4.992 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.406 -12.331 1.649 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.994 -10.391 4.448 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.640 -12.090 2.769 1.00 8.90 H new ATOM 76 N VAL A 5 1.085 -6.571 3.132 1.00 4.44 N ATOM 77 CA VAL A 5 0.090 -5.552 3.460 1.00 3.87 C ATOM 78 C VAL A 5 -1.096 -6.079 4.258 1.00 4.93 C ATOM 79 O VAL A 5 -1.992 -6.822 3.766 1.00 6.84 O ATOM 80 CB VAL A 5 -0.321 -4.723 2.204 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.414 -3.678 2.595 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.895 -4.165 1.380 1.00 9.13 C ATOM 0 H VAL A 5 0.699 -7.279 2.507 1.00 4.44 H new ATOM 0 HA VAL A 5 0.579 -4.859 4.145 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.781 -5.395 1.480 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.698 -3.102 1.715 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.289 -4.196 2.987 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.019 -3.006 3.357 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.526 -3.601 0.524 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.495 -3.512 2.014 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.509 -4.995 1.030 1.00 9.13 H new ATOM 92 N LYS A 6 -1.229 -5.629 5.552 1.00 6.04 N ATOM 93 CA LYS A 6 -2.249 -6.119 6.405 1.00 6.12 C ATOM 94 C LYS A 6 -3.547 -5.288 6.346 1.00 6.57 C ATOM 95 O LYS A 6 -3.510 -4.046 6.551 1.00 5.76 O ATOM 96 CB LYS A 6 -1.864 -6.150 7.892 1.00 7.45 C ATOM 97 CG LYS A 6 -0.539 -6.850 8.225 1.00 11.12 C ATOM 98 CD LYS A 6 -0.583 -8.371 7.914 1.00 14.54 C ATOM 99 CE LYS A 6 0.405 -9.195 8.737 1.00 18.84 C ATOM 100 NZ LYS A 6 0.629 -10.539 8.221 1.00 20.55 N ATOM 0 H LYS A 6 -0.621 -4.930 5.979 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.399 -7.128 6.022 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.812 -5.124 8.256 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.663 -6.644 8.444 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.267 -6.388 7.655 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.308 -6.703 9.280 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.592 -8.741 8.097 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.375 -8.522 6.855 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.358 -8.668 8.776 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.039 -9.266 9.761 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.620 -11.219 9.008 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.124 -10.782 7.546 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.551 -10.577 7.740 1.00 20.55 H new ATOM 114 N THR A 7 -4.686 -5.968 6.066 1.00 7.41 N ATOM 115 CA THR A 7 -6.023 -5.414 5.909 1.00 7.48 C ATOM 116 C THR A 7 -6.803 -5.447 7.263 1.00 8.75 C ATOM 117 O THR A 7 -6.296 -5.815 8.292 1.00 8.58 O ATOM 118 CB THR A 7 -6.904 -6.021 4.764 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.509 -7.247 5.100 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.046 -6.336 3.523 1.00 9.17 C ATOM 0 H THR A 7 -4.678 -6.980 5.939 1.00 7.41 H new ATOM 0 HA THR A 7 -5.837 -4.388 5.592 1.00 7.48 H new ATOM 0 HB THR A 7 -7.665 -5.262 4.583 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.043 -7.566 4.343 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.678 -6.756 2.741 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.581 -5.419 3.160 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.271 -7.055 3.789 1.00 9.17 H new ATOM 128 N LEU A 8 -8.039 -4.900 7.272 1.00 9.84 N ATOM 129 CA LEU A 8 -8.946 -4.657 8.418 1.00 14.15 C ATOM 130 C LEU A 8 -8.932 -5.864 9.438 1.00 17.37 C ATOM 131 O LEU A 8 -8.718 -5.668 10.618 1.00 17.01 O ATOM 132 CB LEU A 8 -10.409 -4.369 7.923 1.00 16.63 C ATOM 133 CG LEU A 8 -11.415 -4.100 8.902 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.278 -2.775 9.669 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.848 -4.236 8.399 1.00 18.59 C ATOM 0 H LEU A 8 -8.466 -4.589 6.400 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.579 -3.775 8.943 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.369 -3.517 7.245 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.737 -5.228 7.337 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.213 -4.903 9.611 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.097 -2.681 10.383 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.328 -2.760 10.203 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.312 -1.943 8.966 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.541 -4.013 9.210 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -13.013 -3.538 7.578 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -13.015 -5.254 8.048 1.00 18.59 H new ATOM 147 N THR A 9 -8.967 -7.118 8.939 1.00 18.33 N ATOM 148 CA THR A 9 -9.208 -8.274 9.777 1.00 19.24 C ATOM 149 C THR A 9 -7.919 -8.998 10.069 1.00 19.48 C ATOM 150 O THR A 9 -8.001 -10.124 10.565 1.00 23.14 O ATOM 151 CB THR A 9 -10.181 -9.243 9.038 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.822 -9.362 7.690 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.628 -8.780 9.079 1.00 19.70 C ATOM 0 H THR A 9 -8.829 -7.339 7.953 1.00 18.33 H new ATOM 0 HA THR A 9 -9.644 -7.941 10.719 1.00 19.24 H new ATOM 0 HB THR A 9 -10.100 -10.196 9.561 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.440 -9.974 7.240 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.254 -9.497 8.548 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.958 -8.708 10.115 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.711 -7.803 8.603 1.00 19.70 H new ATOM 161 N GLY A 10 -6.714 -8.454 9.703 1.00 19.43 N ATOM 162 CA GLY A 10 -5.420 -9.065 9.898 1.00 18.74 C ATOM 163 C GLY A 10 -4.983 -9.882 8.714 1.00 17.62 C ATOM 164 O GLY A 10 -3.877 -10.368 8.609 1.00 19.74 O ATOM 0 H GLY A 10 -6.650 -7.543 9.249 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.681 -8.288 10.091 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.452 -9.702 10.782 1.00 18.74 H new ATOM 168 N LYS A 11 -5.944 -10.015 7.804 1.00 13.56 N ATOM 169 CA LYS A 11 -5.840 -10.517 6.510 1.00 11.91 C ATOM 170 C LYS A 11 -4.636 -9.983 5.652 1.00 10.18 C ATOM 171 O LYS A 11 -4.349 -8.834 5.662 1.00 9.10 O ATOM 172 CB LYS A 11 -7.204 -10.539 5.780 1.00 13.43 C ATOM 173 CG LYS A 11 -7.231 -11.039 4.349 1.00 16.69 C ATOM 174 CD LYS A 11 -8.674 -10.928 3.875 1.00 17.92 C ATOM 175 CE LYS A 11 -9.052 -11.667 2.556 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.316 -11.172 1.346 1.00 21.93 N ATOM 0 H LYS A 11 -6.901 -9.733 8.016 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.551 -11.559 6.644 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.887 -11.157 6.364 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.605 -9.525 5.788 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.570 -10.445 3.719 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.883 -12.070 4.293 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.320 -11.303 4.669 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.907 -9.871 3.748 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.854 -12.732 2.679 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -10.123 -11.560 2.386 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.970 -11.120 0.539 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.928 -10.227 1.538 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.539 -11.826 1.121 1.00 21.93 H new ATOM 190 N THR A 12 -3.826 -10.887 5.047 1.00 9.63 N ATOM 191 CA THR A 12 -2.590 -10.439 4.441 1.00 9.85 C ATOM 192 C THR A 12 -2.550 -10.462 2.927 1.00 11.66 C ATOM 193 O THR A 12 -2.921 -11.456 2.308 1.00 12.33 O ATOM 194 CB THR A 12 -1.426 -11.329 4.787 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.235 -11.445 6.218 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.135 -10.946 4.106 1.00 9.63 C ATOM 0 H THR A 12 -4.012 -11.887 4.976 1.00 9.63 H new ATOM 0 HA THR A 12 -2.530 -9.423 4.831 1.00 9.85 H new ATOM 0 HB THR A 12 -1.700 -12.308 4.394 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.569 -12.139 6.404 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.654 -11.635 4.407 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.266 -10.994 3.025 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.141 -9.931 4.393 1.00 9.63 H new ATOM 204 N ILE A 13 -2.240 -9.340 2.293 1.00 10.42 N ATOM 205 CA ILE A 13 -1.947 -9.218 0.875 1.00 11.84 C ATOM 206 C ILE A 13 -0.396 -9.299 0.749 1.00 10.55 C ATOM 207 O ILE A 13 0.349 -8.544 1.403 1.00 11.92 O ATOM 208 CB ILE A 13 -2.576 -7.939 0.273 1.00 14.86 C ATOM 209 CG1 ILE A 13 -4.102 -7.922 0.624 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.242 -7.974 -1.232 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.758 -6.645 0.024 1.00 16.46 C ATOM 0 H ILE A 13 -2.184 -8.446 2.780 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.396 -10.019 0.288 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.185 -7.005 0.677 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.587 -8.814 0.227 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -4.238 -7.940 1.705 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.661 -7.093 -1.718 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.160 -7.982 -1.365 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.669 -8.872 -1.679 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.820 -6.633 0.268 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.279 -5.759 0.442 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.635 -6.647 -1.059 1.00 16.46 H new ATOM 223 N THR A 14 0.204 -10.162 -0.086 1.00 9.39 N ATOM 224 CA THR A 14 1.622 -10.368 -0.388 1.00 9.63 C ATOM 225 C THR A 14 1.872 -9.848 -1.782 1.00 11.20 C ATOM 226 O THR A 14 1.183 -10.219 -2.741 1.00 11.63 O ATOM 227 CB THR A 14 2.108 -11.797 -0.273 1.00 10.38 C ATOM 228 OG1 THR A 14 1.807 -12.297 1.050 1.00 16.30 O ATOM 229 CG2 THR A 14 3.544 -11.917 -0.570 1.00 11.66 C ATOM 0 H THR A 14 -0.367 -10.809 -0.630 1.00 9.39 H new ATOM 0 HA THR A 14 2.190 -9.827 0.369 1.00 9.63 H new ATOM 0 HB THR A 14 1.587 -12.400 -1.016 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.119 -13.223 1.129 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.849 -12.959 -0.475 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.735 -11.574 -1.587 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.113 -11.307 0.132 1.00 11.66 H new ATOM 237 N LEU A 15 2.863 -8.932 -1.959 1.00 8.29 N ATOM 238 CA LEU A 15 3.094 -8.218 -3.169 1.00 9.03 C ATOM 239 C LEU A 15 4.543 -8.370 -3.670 1.00 8.59 C ATOM 240 O LEU A 15 5.512 -8.440 -2.939 1.00 7.79 O ATOM 241 CB LEU A 15 2.911 -6.697 -3.046 1.00 11.08 C ATOM 242 CG LEU A 15 1.520 -6.272 -2.519 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.639 -4.818 -2.162 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.432 -6.584 -3.545 1.00 15.27 C ATOM 0 H LEU A 15 3.523 -8.689 -1.220 1.00 8.29 H new ATOM 0 HA LEU A 15 2.358 -8.653 -3.845 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.677 -6.302 -2.379 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.073 -6.242 -4.023 1.00 11.08 H new ATOM 0 HG LEU A 15 1.216 -6.831 -1.634 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.683 -4.457 -1.781 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.405 -4.693 -1.397 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.915 -4.247 -3.049 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.537 -6.277 -3.152 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.637 -6.043 -4.469 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.419 -7.655 -3.747 1.00 15.27 H new ATOM 256 N GLU A 16 4.755 -8.422 -5.004 1.00 11.04 N ATOM 257 CA GLU A 16 5.980 -8.264 -5.745 1.00 11.50 C ATOM 258 C GLU A 16 6.083 -6.891 -6.481 1.00 10.13 C ATOM 259 O GLU A 16 5.122 -6.401 -7.093 1.00 9.83 O ATOM 260 CB GLU A 16 6.249 -9.418 -6.734 1.00 17.22 C ATOM 261 CG GLU A 16 7.591 -9.511 -7.426 1.00 23.33 C ATOM 262 CD GLU A 16 7.835 -10.878 -8.004 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.006 -11.900 -7.333 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.933 -10.935 -9.300 1.00 28.86 O ATOM 0 H GLU A 16 3.973 -8.596 -5.636 1.00 11.04 H new ATOM 0 HA GLU A 16 6.758 -8.292 -4.983 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.095 -10.353 -6.195 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.485 -9.368 -7.510 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.641 -8.767 -8.221 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.382 -9.272 -6.716 1.00 23.33 H new ATOM 271 N VAL A 17 7.231 -6.181 -6.313 1.00 8.99 N ATOM 272 CA VAL A 17 7.286 -4.717 -6.516 1.00 8.85 C ATOM 273 C VAL A 17 8.753 -4.356 -6.748 1.00 8.04 C ATOM 274 O VAL A 17 9.580 -5.200 -6.439 1.00 8.99 O ATOM 275 CB VAL A 17 6.732 -3.838 -5.339 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.202 -3.568 -5.382 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.145 -4.277 -3.942 1.00 10.54 C ATOM 0 H VAL A 17 8.120 -6.599 -6.040 1.00 8.99 H new ATOM 0 HA VAL A 17 6.632 -4.495 -7.359 1.00 8.85 H new ATOM 0 HB VAL A 17 7.237 -2.892 -5.536 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.917 -2.953 -4.528 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.950 -3.046 -6.305 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.664 -4.515 -5.343 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.709 -3.603 -3.205 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.791 -5.292 -3.760 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.232 -4.251 -3.859 1.00 10.54 H new ATOM 287 N GLU A 18 9.087 -3.152 -7.266 1.00 7.29 N ATOM 288 CA GLU A 18 10.427 -2.664 -7.400 1.00 7.08 C ATOM 289 C GLU A 18 10.573 -1.476 -6.454 1.00 6.45 C ATOM 290 O GLU A 18 9.554 -0.938 -6.007 1.00 5.28 O ATOM 291 CB GLU A 18 10.731 -2.272 -8.834 1.00 10.28 C ATOM 292 CG GLU A 18 10.643 -3.462 -9.788 1.00 12.65 C ATOM 293 CD GLU A 18 11.226 -3.236 -11.160 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.217 -2.113 -11.704 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.663 -4.297 -11.705 1.00 14.33 O ATOM 0 H GLU A 18 8.388 -2.491 -7.606 1.00 7.29 H new ATOM 0 HA GLU A 18 11.143 -3.444 -7.141 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.032 -1.499 -9.154 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.730 -1.839 -8.887 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.152 -4.311 -9.331 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.595 -3.741 -9.899 1.00 12.65 H new ATOM 302 N PRO A 19 11.766 -1.011 -6.120 1.00 7.24 N ATOM 303 CA PRO A 19 11.823 0.066 -5.102 1.00 7.07 C ATOM 304 C PRO A 19 11.423 1.405 -5.583 1.00 6.65 C ATOM 305 O PRO A 19 11.192 2.349 -4.827 1.00 6.37 O ATOM 306 CB PRO A 19 13.351 0.042 -4.702 1.00 7.61 C ATOM 307 CG PRO A 19 13.784 -1.388 -4.999 1.00 8.16 C ATOM 308 CD PRO A 19 13.038 -1.724 -6.240 1.00 7.49 C ATOM 0 HA PRO A 19 11.118 -0.110 -4.290 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.927 0.763 -5.282 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.493 0.292 -3.651 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.862 -1.459 -5.147 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.529 -2.063 -4.182 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.586 -1.408 -7.128 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.881 -2.799 -6.328 1.00 7.49 H new ATOM 316 N SER A 20 11.386 1.612 -6.894 1.00 6.80 N ATOM 317 CA SER A 20 10.940 2.865 -7.424 1.00 6.28 C ATOM 318 C SER A 20 9.520 2.820 -7.842 1.00 8.45 C ATOM 319 O SER A 20 8.970 3.772 -8.406 1.00 7.26 O ATOM 320 CB SER A 20 11.825 3.227 -8.632 1.00 8.57 C ATOM 321 OG SER A 20 11.720 4.547 -9.104 1.00 11.13 O ATOM 0 H SER A 20 11.661 0.924 -7.595 1.00 6.80 H new ATOM 0 HA SER A 20 11.022 3.619 -6.641 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.865 3.041 -8.363 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.581 2.550 -9.451 1.00 8.57 H new ATOM 0 HG SER A 20 10.781 4.827 -9.086 1.00 11.13 H new ATOM 327 N ASP A 21 8.773 1.728 -7.555 1.00 7.50 N ATOM 328 CA ASP A 21 7.281 1.694 -7.649 1.00 7.70 C ATOM 329 C ASP A 21 6.644 2.708 -6.728 1.00 7.08 C ATOM 330 O ASP A 21 7.160 2.883 -5.596 1.00 8.11 O ATOM 331 CB ASP A 21 6.822 0.248 -7.259 1.00 11.00 C ATOM 332 CG ASP A 21 7.158 -0.790 -8.397 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.864 -0.471 -9.386 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.523 -1.882 -8.333 1.00 14.36 O ATOM 0 H ASP A 21 9.180 0.843 -7.252 1.00 7.50 H new ATOM 0 HA ASP A 21 6.970 1.946 -8.663 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.312 -0.054 -6.333 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.749 0.245 -7.067 1.00 11.00 H new ATOM 339 N THR A 22 5.594 3.439 -7.215 1.00 5.37 N ATOM 340 CA THR A 22 4.879 4.416 -6.440 1.00 6.01 C ATOM 341 C THR A 22 3.833 3.728 -5.561 1.00 8.01 C ATOM 342 O THR A 22 3.402 2.639 -5.812 1.00 8.11 O ATOM 343 CB THR A 22 4.278 5.550 -7.266 1.00 8.92 C ATOM 344 OG1 THR A 22 3.306 5.044 -8.156 1.00 10.22 O ATOM 345 CG2 THR A 22 5.363 6.218 -8.068 1.00 9.65 C ATOM 0 H THR A 22 5.244 3.340 -8.168 1.00 5.37 H new ATOM 0 HA THR A 22 5.613 4.905 -5.800 1.00 6.01 H new ATOM 0 HB THR A 22 3.814 6.267 -6.588 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.712 4.361 -8.730 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.933 7.028 -8.658 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.118 6.621 -7.393 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.824 5.489 -8.734 1.00 9.65 H new ATOM 353 N ILE A 23 3.378 4.488 -4.532 1.00 8.32 N ATOM 354 CA ILE A 23 2.364 4.019 -3.655 1.00 9.92 C ATOM 355 C ILE A 23 1.035 3.739 -4.436 1.00 10.01 C ATOM 356 O ILE A 23 0.268 2.777 -4.189 1.00 8.71 O ATOM 357 CB ILE A 23 2.198 5.061 -2.592 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.513 5.256 -1.724 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.035 4.879 -1.671 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.949 4.032 -0.899 1.00 12.30 C ATOM 0 H ILE A 23 3.721 5.425 -4.319 1.00 8.32 H new ATOM 0 HA ILE A 23 2.639 3.068 -3.199 1.00 9.92 H new ATOM 0 HB ILE A 23 1.990 5.957 -3.177 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.330 5.533 -2.391 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.358 6.094 -1.044 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.016 5.691 -0.944 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.110 4.886 -2.247 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.130 3.927 -1.149 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.856 4.272 -0.344 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.157 3.763 -0.200 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.143 3.193 -1.567 1.00 12.30 H new ATOM 372 N GLU A 24 0.823 4.642 -5.419 1.00 9.54 N ATOM 373 CA GLU A 24 -0.250 4.444 -6.420 1.00 11.81 C ATOM 374 C GLU A 24 -0.122 3.159 -7.243 1.00 11.14 C ATOM 375 O GLU A 24 -1.184 2.525 -7.463 1.00 10.62 O ATOM 376 CB GLU A 24 -0.188 5.664 -7.375 1.00 19.24 C ATOM 377 CG GLU A 24 -1.293 5.768 -8.420 1.00 27.76 C ATOM 378 CD GLU A 24 -1.326 7.120 -9.051 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.550 8.199 -8.429 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.279 7.197 -10.274 1.00 36.51 O ATOM 0 H GLU A 24 1.367 5.497 -5.541 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.197 4.353 -5.887 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.204 6.571 -6.771 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.771 5.643 -7.893 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.140 5.011 -9.189 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.256 5.560 -7.954 1.00 27.76 H new ATOM 387 N ASN A 25 1.132 2.714 -7.594 1.00 9.43 N ATOM 388 CA ASN A 25 1.329 1.366 -8.213 1.00 10.96 C ATOM 389 C ASN A 25 1.007 0.225 -7.255 1.00 9.68 C ATOM 390 O ASN A 25 0.426 -0.760 -7.646 1.00 9.33 O ATOM 391 CB ASN A 25 2.761 1.092 -8.728 1.00 16.78 C ATOM 392 CG ASN A 25 3.220 2.096 -9.739 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.281 2.689 -9.642 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.436 2.266 -10.818 1.00 24.70 N ATOM 0 H ASN A 25 1.989 3.251 -7.463 1.00 9.43 H new ATOM 0 HA ASN A 25 0.637 1.396 -9.055 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.451 1.092 -7.884 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.798 0.096 -9.170 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.727 2.896 -11.566 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.550 1.765 -10.889 1.00 24.70 H new ATOM 401 N VAL A 26 1.368 0.320 -5.948 1.00 6.52 N ATOM 402 CA VAL A 26 1.040 -0.615 -4.893 1.00 5.53 C ATOM 403 C VAL A 26 -0.471 -0.737 -4.743 1.00 4.42 C ATOM 404 O VAL A 26 -0.961 -1.797 -4.623 1.00 3.40 O ATOM 405 CB VAL A 26 1.605 -0.169 -3.526 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.160 -1.119 -2.390 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.120 -0.231 -3.533 1.00 8.12 C ATOM 0 H VAL A 26 1.926 1.102 -5.606 1.00 6.52 H new ATOM 0 HA VAL A 26 1.486 -1.568 -5.177 1.00 5.53 H new ATOM 0 HB VAL A 26 1.235 0.843 -3.360 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.576 -0.774 -1.443 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.072 -1.126 -2.327 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.518 -2.127 -2.598 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.502 0.086 -2.563 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.441 -1.253 -3.733 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.508 0.429 -4.309 1.00 8.12 H new ATOM 417 N LYS A 27 -1.292 0.398 -4.845 1.00 2.64 N ATOM 418 CA LYS A 27 -2.789 0.296 -4.893 1.00 4.14 C ATOM 419 C LYS A 27 -3.323 -0.428 -6.128 1.00 5.58 C ATOM 420 O LYS A 27 -4.333 -1.149 -6.078 1.00 4.11 O ATOM 421 CB LYS A 27 -3.406 1.740 -4.867 1.00 3.97 C ATOM 422 CG LYS A 27 -3.066 2.633 -3.594 1.00 7.45 C ATOM 423 CD LYS A 27 -3.590 4.105 -3.810 1.00 9.02 C ATOM 424 CE LYS A 27 -3.534 4.709 -2.463 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.096 6.031 -2.472 1.00 15.47 N ATOM 0 H LYS A 27 -0.936 1.353 -4.893 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.081 -0.292 -4.023 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.069 2.272 -5.757 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.490 1.650 -4.941 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.525 2.202 -2.704 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.989 2.643 -3.424 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.966 4.650 -4.518 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.605 4.112 -4.208 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -4.078 4.083 -1.756 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.500 4.751 -2.121 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.186 6.376 -1.495 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.474 6.669 -3.009 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.035 6.006 -2.919 1.00 15.47 H new ATOM 439 N ALA A 28 -2.613 -0.345 -7.268 1.00 6.61 N ATOM 440 CA ALA A 28 -2.971 -1.116 -8.418 1.00 7.74 C ATOM 441 C ALA A 28 -2.712 -2.577 -8.305 1.00 9.17 C ATOM 442 O ALA A 28 -3.522 -3.453 -8.673 1.00 11.45 O ATOM 443 CB ALA A 28 -2.290 -0.436 -9.664 1.00 7.68 C ATOM 0 H ALA A 28 -1.796 0.252 -7.393 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.055 -1.102 -8.530 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.539 -0.996 -10.565 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.650 0.588 -9.762 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.208 -0.429 -9.529 1.00 7.68 H new ATOM 449 N LYS A 29 -1.489 -2.874 -7.803 1.00 8.96 N ATOM 450 CA LYS A 29 -1.123 -4.276 -7.445 1.00 7.90 C ATOM 451 C LYS A 29 -2.057 -4.955 -6.427 1.00 6.92 C ATOM 452 O LYS A 29 -2.344 -6.161 -6.527 1.00 6.87 O ATOM 453 CB LYS A 29 0.311 -4.418 -6.899 1.00 10.28 C ATOM 454 CG LYS A 29 1.345 -3.909 -7.808 1.00 14.94 C ATOM 455 CD LYS A 29 2.471 -4.869 -8.048 1.00 19.69 C ATOM 456 CE LYS A 29 3.536 -4.297 -9.070 1.00 22.63 C ATOM 457 NZ LYS A 29 4.566 -5.290 -9.500 1.00 24.98 N ATOM 0 H LYS A 29 -0.754 -2.187 -7.638 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.220 -4.779 -8.407 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.382 -3.887 -5.949 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.508 -5.470 -6.692 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.884 -3.660 -8.764 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.751 -2.984 -7.399 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.962 -5.094 -7.101 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.071 -5.808 -8.430 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.014 -3.926 -9.952 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.038 -3.443 -8.615 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.225 -4.840 -10.167 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.092 -5.627 -8.668 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.099 -6.095 -9.964 1.00 24.98 H new ATOM 471 N ILE A 30 -2.522 -4.242 -5.379 1.00 4.57 N ATOM 472 CA ILE A 30 -3.473 -4.650 -4.445 1.00 5.58 C ATOM 473 C ILE A 30 -4.810 -4.888 -5.083 1.00 7.26 C ATOM 474 O ILE A 30 -5.462 -5.907 -4.900 1.00 9.46 O ATOM 475 CB ILE A 30 -3.681 -3.615 -3.337 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.411 -3.718 -2.416 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.059 -3.770 -2.605 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.308 -2.596 -1.356 1.00 2.00 C ATOM 0 H ILE A 30 -2.185 -3.298 -5.191 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.080 -5.574 -4.022 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.759 -2.602 -3.733 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.420 -4.683 -1.909 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.519 -3.695 -3.042 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.147 -3.008 -1.831 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.869 -3.651 -3.325 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.120 -4.759 -2.150 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.405 -2.739 -0.762 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.265 -1.628 -1.854 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.181 -2.630 -0.704 1.00 2.00 H new ATOM 490 N GLN A 31 -5.267 -4.018 -6.078 1.00 7.06 N ATOM 491 CA GLN A 31 -6.354 -4.396 -6.983 1.00 8.67 C ATOM 492 C GLN A 31 -6.171 -5.722 -7.720 1.00 10.90 C ATOM 493 O GLN A 31 -6.935 -6.651 -7.674 1.00 9.63 O ATOM 494 CB GLN A 31 -6.778 -3.342 -7.948 1.00 9.12 C ATOM 495 CG GLN A 31 -8.208 -3.595 -8.653 1.00 10.76 C ATOM 496 CD GLN A 31 -8.622 -2.464 -9.622 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.639 -1.785 -9.387 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.852 -2.231 -10.675 1.00 14.76 N ATOM 0 H GLN A 31 -4.887 -3.085 -6.240 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.164 -4.533 -6.266 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.812 -2.386 -7.426 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.018 -3.255 -8.724 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.174 -4.538 -9.199 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.971 -3.701 -7.882 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.025 -2.806 -10.839 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.086 -1.477 -11.321 1.00 14.76 H new ATOM 507 N ASP A 32 -5.012 -5.863 -8.342 1.00 10.93 N ATOM 508 CA ASP A 32 -4.623 -7.113 -9.050 1.00 14.01 C ATOM 509 C ASP A 32 -4.764 -8.371 -8.097 1.00 14.04 C ATOM 510 O ASP A 32 -5.408 -9.340 -8.477 1.00 13.39 O ATOM 511 CB ASP A 32 -3.195 -6.936 -9.579 1.00 18.01 C ATOM 512 CG ASP A 32 -2.749 -8.151 -10.382 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.125 -8.241 -11.550 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.045 -9.007 -9.763 1.00 25.17 O ATOM 0 H ASP A 32 -4.304 -5.130 -8.382 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.291 -7.298 -9.891 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.144 -6.045 -10.205 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.512 -6.778 -8.744 1.00 18.01 H new ATOM 519 N LYS A 33 -4.245 -8.327 -6.858 1.00 14.22 N ATOM 520 CA LYS A 33 -4.522 -9.392 -5.884 1.00 14.00 C ATOM 521 C LYS A 33 -5.967 -9.652 -5.435 1.00 12.37 C ATOM 522 O LYS A 33 -6.370 -10.797 -5.363 1.00 12.17 O ATOM 523 CB LYS A 33 -3.698 -9.166 -4.620 1.00 18.62 C ATOM 524 CG LYS A 33 -2.183 -9.066 -4.857 1.00 24.00 C ATOM 525 CD LYS A 33 -1.484 -10.413 -5.147 1.00 27.61 C ATOM 526 CE LYS A 33 -0.158 -10.344 -5.917 1.00 27.64 C ATOM 527 NZ LYS A 33 0.327 -11.689 -6.242 1.00 30.06 N ATOM 0 H LYS A 33 -3.643 -7.580 -6.513 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.254 -10.277 -6.461 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.039 -8.250 -4.138 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.891 -9.983 -3.925 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.004 -8.392 -5.694 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.721 -8.614 -3.979 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.301 -10.914 -4.196 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.174 -11.041 -5.711 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.294 -9.770 -6.834 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.587 -9.818 -5.320 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.225 -11.618 -6.762 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.477 -12.225 -5.364 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.377 -12.179 -6.831 1.00 30.06 H new ATOM 541 N GLU A 34 -6.777 -8.605 -5.148 1.00 10.11 N ATOM 542 CA GLU A 34 -7.933 -8.758 -4.245 1.00 10.07 C ATOM 543 C GLU A 34 -9.224 -7.996 -4.681 1.00 9.32 C ATOM 544 O GLU A 34 -10.203 -7.890 -3.936 1.00 11.61 O ATOM 545 CB GLU A 34 -7.577 -8.263 -2.849 1.00 14.77 C ATOM 546 CG GLU A 34 -6.873 -9.345 -1.974 1.00 18.75 C ATOM 547 CD GLU A 34 -7.709 -10.653 -1.924 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.838 -10.605 -1.361 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.161 -11.714 -2.238 1.00 25.19 O ATOM 0 H GLU A 34 -6.652 -7.664 -5.522 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.155 -9.825 -4.274 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.925 -7.394 -2.934 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.485 -7.932 -2.345 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.883 -9.557 -2.379 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.729 -8.963 -0.963 1.00 18.75 H new ATOM 556 N GLY A 35 -9.206 -7.377 -5.867 1.00 7.22 N ATOM 557 CA GLY A 35 -10.368 -6.682 -6.489 1.00 6.29 C ATOM 558 C GLY A 35 -10.711 -5.343 -5.839 1.00 6.93 C ATOM 559 O GLY A 35 -11.787 -4.839 -6.094 1.00 7.41 O ATOM 0 H GLY A 35 -8.367 -7.337 -6.446 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.157 -6.518 -7.546 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.240 -7.334 -6.435 1.00 6.29 H new ATOM 563 N ILE A 36 -9.845 -4.785 -4.951 1.00 5.86 N ATOM 564 CA ILE A 36 -10.154 -3.559 -4.245 1.00 6.07 C ATOM 565 C ILE A 36 -9.815 -2.340 -5.060 1.00 6.36 C ATOM 566 O ILE A 36 -8.655 -2.198 -5.493 1.00 6.18 O ATOM 567 CB ILE A 36 -9.453 -3.436 -2.944 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.720 -4.713 -2.148 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.876 -2.203 -2.170 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.963 -4.798 -0.809 1.00 9.49 C ATOM 0 H ILE A 36 -8.933 -5.182 -4.722 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.228 -3.614 -4.066 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.384 -3.315 -3.122 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.790 -4.788 -1.952 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.447 -5.572 -2.761 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.333 -2.162 -1.226 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.653 -1.311 -2.756 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.947 -2.248 -1.971 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.210 -5.735 -0.310 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.890 -4.758 -0.995 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.253 -3.961 -0.173 1.00 9.49 H new ATOM 582 N PRO A 37 -10.718 -1.380 -5.423 1.00 8.65 N ATOM 583 CA PRO A 37 -10.396 -0.319 -6.364 1.00 9.18 C ATOM 584 C PRO A 37 -9.450 0.635 -5.678 1.00 9.85 C ATOM 585 O PRO A 37 -9.754 0.979 -4.547 1.00 8.51 O ATOM 586 CB PRO A 37 -11.714 0.314 -6.742 1.00 11.42 C ATOM 587 CG PRO A 37 -12.703 -0.082 -5.731 1.00 9.27 C ATOM 588 CD PRO A 37 -12.151 -1.307 -5.047 1.00 8.33 C ATOM 0 HA PRO A 37 -9.898 -0.662 -7.271 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.620 1.399 -6.781 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.027 -0.015 -7.733 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.867 0.722 -5.013 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.666 -0.297 -6.194 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.267 -1.234 -3.966 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.683 -2.204 -5.365 1.00 8.33 H new ATOM 596 N PRO A 38 -8.367 1.147 -6.316 1.00 8.71 N ATOM 597 CA PRO A 38 -7.474 2.182 -5.782 1.00 9.08 C ATOM 598 C PRO A 38 -8.151 3.367 -5.183 1.00 9.28 C ATOM 599 O PRO A 38 -7.626 3.977 -4.251 1.00 6.50 O ATOM 600 CB PRO A 38 -6.458 2.519 -6.823 1.00 10.31 C ATOM 601 CG PRO A 38 -7.049 1.981 -8.157 1.00 10.81 C ATOM 602 CD PRO A 38 -7.923 0.784 -7.632 1.00 12.00 C ATOM 0 HA PRO A 38 -6.969 1.765 -4.911 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.287 3.594 -6.873 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.498 2.054 -6.601 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.645 2.731 -8.677 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.274 1.654 -8.850 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.772 0.605 -8.292 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.341 -0.138 -7.604 1.00 12.00 H new ATOM 610 N ASP A 39 -9.375 3.755 -5.678 1.00 11.20 N ATOM 611 CA ASP A 39 -10.103 4.897 -5.060 1.00 14.96 C ATOM 612 C ASP A 39 -10.359 4.744 -3.563 1.00 13.99 C ATOM 613 O ASP A 39 -10.513 5.784 -2.847 1.00 13.75 O ATOM 614 CB ASP A 39 -11.434 5.124 -5.869 1.00 24.16 C ATOM 615 CG ASP A 39 -11.098 5.311 -7.340 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.233 6.129 -7.749 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.679 4.537 -8.170 1.00 35.55 O ATOM 0 H ASP A 39 -9.851 3.313 -6.464 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.464 5.778 -5.123 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -12.101 4.272 -5.741 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.960 6.000 -5.489 1.00 24.16 H new ATOM 622 N GLN A 40 -10.569 3.529 -3.073 1.00 11.60 N ATOM 623 CA GLN A 40 -11.018 3.309 -1.700 1.00 10.76 C ATOM 624 C GLN A 40 -9.779 2.961 -0.820 1.00 8.01 C ATOM 625 O GLN A 40 -9.905 2.759 0.372 1.00 8.96 O ATOM 626 CB GLN A 40 -11.964 2.092 -1.558 1.00 11.14 C ATOM 627 CG GLN A 40 -13.352 2.414 -2.129 1.00 14.85 C ATOM 628 CD GLN A 40 -14.345 1.283 -1.914 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.352 0.492 -0.948 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.274 1.103 -2.907 1.00 18.16 N ATOM 0 H GLN A 40 -10.435 2.672 -3.610 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.538 4.219 -1.400 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.541 1.233 -2.080 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.053 1.815 -0.508 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.733 3.322 -1.661 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.264 2.619 -3.196 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.292 1.734 -3.709 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.946 0.339 -2.844 1.00 18.16 H new ATOM 639 N GLN A 41 -8.525 3.010 -1.359 1.00 6.52 N ATOM 640 CA GLN A 41 -7.351 2.581 -0.679 1.00 3.87 C ATOM 641 C GLN A 41 -6.624 3.746 -0.027 1.00 4.79 C ATOM 642 O GLN A 41 -6.077 4.617 -0.662 1.00 6.34 O ATOM 643 CB GLN A 41 -6.468 1.789 -1.637 1.00 4.20 C ATOM 644 CG GLN A 41 -7.041 0.423 -2.014 1.00 3.20 C ATOM 645 CD GLN A 41 -5.902 -0.355 -2.702 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.804 -0.480 -2.238 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.159 -0.962 -3.864 1.00 7.13 N ATOM 0 H GLN A 41 -8.341 3.362 -2.299 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.632 1.918 0.140 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.317 2.373 -2.545 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.488 1.649 -1.182 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.394 -0.107 -1.129 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.895 0.532 -2.682 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.082 -0.878 -4.290 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.432 -1.509 -4.325 1.00 7.13 H new ATOM 656 N ARG A 42 -6.597 3.724 1.379 1.00 5.73 N ATOM 657 CA ARG A 42 -5.715 4.552 2.123 1.00 6.97 C ATOM 658 C ARG A 42 -4.577 3.630 2.556 1.00 7.15 C ATOM 659 O ARG A 42 -4.840 2.409 2.627 1.00 7.33 O ATOM 660 CB ARG A 42 -6.448 5.101 3.350 1.00 13.23 C ATOM 661 CG ARG A 42 -7.508 6.206 3.050 1.00 21.27 C ATOM 662 CD ARG A 42 -8.152 6.827 4.296 1.00 26.14 C ATOM 663 NE ARG A 42 -8.970 8.104 3.981 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.664 8.787 4.900 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.987 8.269 6.065 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.752 10.109 4.728 1.00 36.39 N ATOM 0 H ARG A 42 -7.195 3.126 1.950 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.351 5.403 1.547 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.943 4.273 3.858 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.711 5.506 4.043 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -7.034 6.997 2.469 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.293 5.779 2.426 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.804 6.091 4.766 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.373 7.070 5.018 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.981 8.444 3.019 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.708 7.315 6.294 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.517 8.821 6.739 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.302 10.550 3.926 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.269 10.677 5.399 1.00 36.39 H new ATOM 680 N LEU A 43 -3.361 4.168 2.866 1.00 4.65 N ATOM 681 CA LEU A 43 -2.180 3.357 3.029 1.00 3.51 C ATOM 682 C LEU A 43 -1.329 3.865 4.162 1.00 5.56 C ATOM 683 O LEU A 43 -0.950 5.027 4.317 1.00 4.19 O ATOM 684 CB LEU A 43 -1.363 3.131 1.755 1.00 3.74 C ATOM 685 CG LEU A 43 -1.956 2.226 0.638 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.053 2.314 -0.578 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.103 0.741 1.101 1.00 6.41 C ATOM 0 H LEU A 43 -3.203 5.166 3.002 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.550 2.364 3.284 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.159 4.107 1.316 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.403 2.707 2.049 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.959 2.579 0.396 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.452 1.685 -1.374 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.005 3.347 -0.921 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.052 1.973 -0.313 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.521 0.146 0.289 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.124 0.346 1.373 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.767 0.693 1.964 1.00 6.41 H new ATOM 699 N ILE A 44 -0.812 2.951 4.981 1.00 4.58 N ATOM 700 CA ILE A 44 -0.075 3.242 6.270 1.00 5.55 C ATOM 701 C ILE A 44 1.151 2.286 6.232 1.00 5.46 C ATOM 702 O ILE A 44 0.983 1.077 6.027 1.00 6.04 O ATOM 703 CB ILE A 44 -0.830 3.236 7.608 1.00 6.80 C ATOM 704 CG1 ILE A 44 -1.993 4.219 7.569 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.110 3.381 8.802 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.104 3.899 8.527 1.00 13.90 C ATOM 0 H ILE A 44 -0.881 1.952 4.787 1.00 4.58 H new ATOM 0 HA ILE A 44 0.174 4.303 6.277 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.283 2.256 7.759 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.617 5.218 7.788 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.398 4.245 6.557 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.470 3.371 9.725 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.819 2.553 8.810 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.654 4.323 8.725 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.891 4.648 8.435 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.511 2.914 8.296 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.718 3.902 9.546 1.00 13.90 H new ATOM 718 N PHE A 45 2.368 2.811 6.561 1.00 6.75 N ATOM 719 CA PHE A 45 3.528 2.034 6.918 1.00 4.70 C ATOM 720 C PHE A 45 4.268 2.685 8.063 1.00 6.34 C ATOM 721 O PHE A 45 4.376 3.914 8.112 1.00 5.45 O ATOM 722 CB PHE A 45 4.477 1.767 5.787 1.00 5.51 C ATOM 723 CG PHE A 45 5.869 1.179 6.076 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.112 -0.143 6.439 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.008 2.027 5.978 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.367 -0.608 6.664 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.288 1.543 6.316 1.00 6.64 C ATOM 728 CZ PHE A 45 8.429 0.237 6.751 1.00 6.84 C ATOM 0 H PHE A 45 2.543 3.816 6.577 1.00 6.75 H new ATOM 0 HA PHE A 45 3.138 1.061 7.217 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.976 1.090 5.096 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.626 2.709 5.259 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.276 -0.819 6.545 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.891 3.047 5.643 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.525 -1.670 6.776 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.152 2.186 6.236 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.370 -0.107 7.154 1.00 6.84 H new ATOM 738 N ALA A 46 4.802 1.920 9.017 1.00 6.53 N ATOM 739 CA ALA A 46 5.648 2.421 10.097 1.00 7.15 C ATOM 740 C ALA A 46 5.135 3.692 10.716 1.00 9.00 C ATOM 741 O ALA A 46 5.809 4.707 10.885 1.00 11.15 O ATOM 742 CB ALA A 46 7.163 2.500 9.655 1.00 8.99 C ATOM 0 H ALA A 46 4.654 0.912 9.059 1.00 6.53 H new ATOM 0 HA ALA A 46 5.597 1.689 10.903 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.764 2.877 10.482 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.513 1.506 9.375 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.259 3.172 8.802 1.00 8.99 H new ATOM 748 N GLY A 47 3.896 3.692 11.136 1.00 9.35 N ATOM 749 CA GLY A 47 3.138 4.716 11.867 1.00 11.68 C ATOM 750 C GLY A 47 2.771 5.921 11.034 1.00 11.14 C ATOM 751 O GLY A 47 2.287 6.904 11.539 1.00 13.93 O ATOM 0 H GLY A 47 3.308 2.878 10.959 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.226 4.267 12.259 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.725 5.045 12.724 1.00 11.68 H new ATOM 755 N LYS A 48 2.991 5.889 9.691 1.00 10.47 N ATOM 756 CA LYS A 48 2.723 7.014 8.901 1.00 8.82 C ATOM 757 C LYS A 48 2.126 6.689 7.589 1.00 7.68 C ATOM 758 O LYS A 48 2.489 5.675 6.969 1.00 6.47 O ATOM 759 CB LYS A 48 4.036 7.771 8.648 1.00 9.74 C ATOM 760 CG LYS A 48 3.910 9.069 7.821 1.00 14.14 C ATOM 761 CD LYS A 48 5.238 9.748 7.643 1.00 16.32 C ATOM 762 CE LYS A 48 5.154 11.311 7.777 1.00 20.04 C ATOM 763 NZ LYS A 48 4.034 11.868 7.019 1.00 23.92 N ATOM 0 H LYS A 48 3.351 5.081 9.183 1.00 10.47 H new ATOM 0 HA LYS A 48 1.998 7.613 9.453 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.484 8.017 9.611 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.728 7.101 8.137 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.486 8.838 6.844 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.217 9.750 8.316 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.938 9.363 8.384 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.640 9.495 6.662 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.049 11.579 8.828 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.085 11.755 7.426 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.215 12.873 6.820 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.930 11.351 6.123 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 3.160 11.777 7.575 1.00 23.92 H new ATOM 777 N GLN A 49 1.157 7.504 7.151 1.00 8.89 N ATOM 778 CA GLN A 49 0.367 7.482 5.932 1.00 7.18 C ATOM 779 C GLN A 49 1.230 7.747 4.708 1.00 8.23 C ATOM 780 O GLN A 49 2.194 8.461 4.686 1.00 9.70 O ATOM 781 CB GLN A 49 -0.788 8.543 5.989 1.00 11.67 C ATOM 782 CG GLN A 49 -1.839 8.369 7.091 1.00 15.82 C ATOM 783 CD GLN A 49 -1.525 8.830 8.470 1.00 20.21 C ATOM 784 OE1 GLN A 49 -0.729 9.767 8.712 1.00 23.23 O ATOM 785 NE2 GLN A 49 -2.173 8.264 9.494 1.00 20.67 N ATOM 0 H GLN A 49 0.880 8.297 7.729 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.065 6.485 5.851 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.337 9.529 6.104 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.301 8.537 5.027 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.742 8.888 6.769 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.084 7.308 7.147 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.826 7.499 9.324 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -2.014 8.597 10.445 1.00 20.67 H new ATOM 794 N LEU A 50 0.889 6.995 3.616 1.00 6.51 N ATOM 795 CA LEU A 50 1.683 6.898 2.420 1.00 7.41 C ATOM 796 C LEU A 50 0.948 7.672 1.273 1.00 8.27 C ATOM 797 O LEU A 50 -0.250 7.513 1.048 1.00 8.34 O ATOM 798 CB LEU A 50 2.033 5.442 1.991 1.00 7.13 C ATOM 799 CG LEU A 50 2.656 4.522 3.040 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.726 3.063 2.454 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.125 4.908 3.459 1.00 9.11 C ATOM 0 H LEU A 50 0.033 6.442 3.575 1.00 6.51 H new ATOM 0 HA LEU A 50 2.651 7.352 2.634 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.119 4.970 1.631 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.718 5.497 1.145 1.00 7.13 H new ATOM 0 HG LEU A 50 2.023 4.611 3.923 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.169 2.395 3.193 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.720 2.720 2.211 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.337 3.062 1.552 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.487 4.202 4.206 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.774 4.875 2.584 1.00 9.11 H new ATOM 0 HD23 LEU A 50 4.131 5.915 3.877 1.00 9.11 H new ATOM 813 N GLU A 51 1.744 8.505 0.565 1.00 9.43 N ATOM 814 CA GLU A 51 1.181 9.255 -0.503 1.00 11.90 C ATOM 815 C GLU A 51 1.378 8.712 -1.917 1.00 11.49 C ATOM 816 O GLU A 51 2.442 8.387 -2.404 1.00 9.88 O ATOM 817 CB GLU A 51 1.572 10.764 -0.523 1.00 16.56 C ATOM 818 CG GLU A 51 1.515 11.310 0.870 1.00 26.06 C ATOM 819 CD GLU A 51 1.839 12.813 0.842 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.023 13.090 0.595 1.00 33.44 O ATOM 821 OE2 GLU A 51 0.946 13.615 1.232 1.00 32.13 O ATOM 0 H GLU A 51 2.740 8.650 0.730 1.00 9.43 H new ATOM 0 HA GLU A 51 0.127 9.140 -0.249 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.575 10.886 -0.933 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.893 11.319 -1.171 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.525 11.148 1.296 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.226 10.785 1.508 1.00 26.06 H new ATOM 828 N ASP A 52 0.314 8.737 -2.724 1.00 12.71 N ATOM 829 CA ASP A 52 0.167 8.170 -4.128 1.00 16.56 C ATOM 830 C ASP A 52 1.381 8.321 -4.981 1.00 15.83 C ATOM 831 O ASP A 52 1.835 7.388 -5.676 1.00 17.21 O ATOM 832 CB ASP A 52 -0.975 8.849 -4.869 1.00 21.05 C ATOM 833 CG ASP A 52 -2.317 8.497 -4.305 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.856 7.372 -4.464 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.905 9.431 -3.652 1.00 28.37 O ATOM 0 H ASP A 52 -0.551 9.182 -2.418 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.018 7.107 -3.971 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.839 9.930 -4.827 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.941 8.565 -5.921 1.00 21.05 H new ATOM 840 N GLY A 53 1.996 9.516 -5.132 1.00 15.00 N ATOM 841 CA GLY A 53 3.033 9.986 -6.051 1.00 11.77 C ATOM 842 C GLY A 53 4.418 9.956 -5.470 1.00 11.10 C ATOM 843 O GLY A 53 5.351 10.558 -5.876 1.00 11.25 O ATOM 0 H GLY A 53 1.726 10.280 -4.512 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.013 9.371 -6.951 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.799 11.006 -6.356 1.00 11.77 H new ATOM 847 N ARG A 54 4.634 9.115 -4.404 1.00 8.53 N ATOM 848 CA ARG A 54 5.916 9.002 -3.759 1.00 9.05 C ATOM 849 C ARG A 54 6.238 7.542 -3.825 1.00 8.96 C ATOM 850 O ARG A 54 5.401 6.701 -4.000 1.00 11.60 O ATOM 851 CB ARG A 54 5.909 9.484 -2.279 1.00 7.97 C ATOM 852 CG ARG A 54 5.668 10.974 -2.187 1.00 9.62 C ATOM 853 CD ARG A 54 5.808 11.565 -0.738 1.00 12.20 C ATOM 854 NE ARG A 54 5.423 13.014 -0.652 1.00 18.23 N ATOM 855 CZ ARG A 54 6.162 14.031 -1.216 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.388 13.914 -1.721 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.604 15.219 -1.393 1.00 23.38 N ATOM 0 H ARG A 54 3.911 8.519 -4.000 1.00 8.53 H new ATOM 0 HA ARG A 54 6.651 9.637 -4.255 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.134 8.953 -1.725 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.862 9.238 -1.810 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.372 11.485 -2.844 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.667 11.192 -2.560 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.184 10.988 -0.055 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.839 11.449 -0.403 1.00 12.20 H new ATOM 0 HE ARG A 54 4.570 13.258 -0.150 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.860 13.010 -1.710 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.856 14.729 -2.119 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.636 15.375 -1.113 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.143 15.978 -1.810 1.00 23.38 H new ATOM 871 N THR A 55 7.534 7.187 -3.714 1.00 9.05 N ATOM 872 CA THR A 55 7.936 5.825 -4.051 1.00 9.03 C ATOM 873 C THR A 55 8.188 4.970 -2.830 1.00 8.15 C ATOM 874 O THR A 55 8.313 5.539 -1.726 1.00 5.91 O ATOM 875 CB THR A 55 9.132 5.606 -4.987 1.00 11.15 C ATOM 876 OG1 THR A 55 10.371 5.982 -4.499 1.00 11.95 O ATOM 877 CG2 THR A 55 8.978 6.322 -6.321 1.00 11.71 C ATOM 0 H THR A 55 8.286 7.803 -3.406 1.00 9.05 H new ATOM 0 HA THR A 55 7.052 5.529 -4.616 1.00 9.03 H new ATOM 0 HB THR A 55 9.114 4.521 -5.093 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.973 5.209 -4.505 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.854 6.130 -6.940 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.087 5.955 -6.830 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.883 7.394 -6.150 1.00 11.71 H new ATOM 885 N LEU A 56 8.285 3.610 -2.965 1.00 6.91 N ATOM 886 CA LEU A 56 8.716 2.751 -1.845 1.00 8.29 C ATOM 887 C LEU A 56 10.088 3.059 -1.301 1.00 8.05 C ATOM 888 O LEU A 56 10.331 3.041 -0.116 1.00 10.17 O ATOM 889 CB LEU A 56 8.593 1.290 -2.274 1.00 6.60 C ATOM 890 CG LEU A 56 7.187 0.787 -2.713 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.197 -0.515 -3.462 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.226 0.602 -1.463 1.00 8.64 C ATOM 0 H LEU A 56 8.072 3.106 -3.826 1.00 6.91 H new ATOM 0 HA LEU A 56 8.052 2.961 -1.006 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.284 1.123 -3.101 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.930 0.667 -1.446 1.00 6.60 H new ATOM 0 HG LEU A 56 6.828 1.565 -3.386 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.176 -0.789 -3.728 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.793 -0.409 -4.369 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.629 -1.293 -2.833 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.252 0.250 -1.802 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.657 -0.128 -0.777 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.108 1.557 -0.950 1.00 8.64 H new ATOM 904 N SER A 57 11.031 3.387 -2.195 1.00 8.92 N ATOM 905 CA SER A 57 12.390 3.637 -1.733 1.00 9.00 C ATOM 906 C SER A 57 12.513 4.955 -1.036 1.00 9.44 C ATOM 907 O SER A 57 13.469 5.105 -0.281 1.00 10.91 O ATOM 908 CB SER A 57 13.482 3.552 -2.826 1.00 10.32 C ATOM 909 OG SER A 57 13.064 4.216 -4.005 1.00 13.59 O ATOM 0 H SER A 57 10.882 3.481 -3.200 1.00 8.92 H new ATOM 0 HA SER A 57 12.571 2.819 -1.036 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.406 3.999 -2.459 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.700 2.507 -3.049 1.00 10.32 H new ATOM 0 HG SER A 57 12.398 3.668 -4.470 1.00 13.59 H new ATOM 915 N ASP A 58 11.556 5.917 -1.227 1.00 9.11 N ATOM 916 CA ASP A 58 11.376 7.151 -0.576 1.00 7.91 C ATOM 917 C ASP A 58 10.994 6.986 0.855 1.00 9.12 C ATOM 918 O ASP A 58 11.578 7.565 1.752 1.00 8.61 O ATOM 919 CB ASP A 58 10.311 8.004 -1.175 1.00 8.41 C ATOM 920 CG ASP A 58 10.533 8.545 -2.595 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.654 8.370 -3.139 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.618 9.239 -3.132 1.00 11.70 O ATOM 0 H ASP A 58 10.835 5.778 -1.935 1.00 9.11 H new ATOM 0 HA ASP A 58 12.349 7.630 -0.686 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.385 7.429 -1.178 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.155 8.856 -0.514 1.00 8.41 H new ATOM 927 N TYR A 59 10.064 6.101 1.189 1.00 7.97 N ATOM 928 CA TYR A 59 9.648 5.944 2.522 1.00 8.45 C ATOM 929 C TYR A 59 10.574 4.878 3.206 1.00 10.98 C ATOM 930 O TYR A 59 10.434 4.610 4.357 1.00 12.95 O ATOM 931 CB TYR A 59 8.154 5.414 2.562 1.00 7.94 C ATOM 932 CG TYR A 59 7.142 6.493 2.275 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.898 7.473 3.230 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.372 6.416 1.130 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.953 8.457 3.012 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.404 7.408 0.837 1.00 6.52 C ATOM 937 CZ TYR A 59 5.259 8.464 1.781 1.00 6.76 C ATOM 938 OH TYR A 59 4.298 9.518 1.608 1.00 7.63 O ATOM 0 H TYR A 59 9.595 5.486 0.524 1.00 7.97 H new ATOM 0 HA TYR A 59 9.707 6.901 3.039 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.039 4.612 1.833 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.952 4.985 3.543 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.455 7.465 4.155 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.510 5.589 0.450 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.749 9.204 3.765 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.804 7.365 -0.060 1.00 6.52 H new ATOM 0 HH TYR A 59 4.583 10.307 2.114 1.00 7.63 H new ATOM 948 N ASN A 60 11.539 4.278 2.451 1.00 12.38 N ATOM 949 CA ASN A 60 12.487 3.276 2.823 1.00 13.94 C ATOM 950 C ASN A 60 11.883 1.962 3.125 1.00 14.16 C ATOM 951 O ASN A 60 12.052 1.354 4.162 1.00 14.26 O ATOM 952 CB ASN A 60 13.588 3.696 3.853 1.00 19.23 C ATOM 953 CG ASN A 60 14.878 2.966 3.749 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.226 2.407 2.718 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.577 2.772 4.907 1.00 24.09 N ATOM 0 H ASN A 60 11.653 4.537 1.471 1.00 12.38 H new ATOM 0 HA ASN A 60 13.053 3.153 1.900 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.784 4.762 3.734 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.192 3.555 4.859 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.392 2.159 4.914 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.283 3.240 5.764 1.00 24.09 H new ATOM 962 N ILE A 61 11.061 1.458 2.201 1.00 11.08 N ATOM 963 CA ILE A 61 10.320 0.226 2.375 1.00 11.78 C ATOM 964 C ILE A 61 11.013 -0.782 1.549 1.00 13.74 C ATOM 965 O ILE A 61 11.108 -0.653 0.338 1.00 14.60 O ATOM 966 CB ILE A 61 8.895 0.390 1.893 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.145 1.409 2.798 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.137 -0.988 1.887 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.860 1.935 2.075 1.00 11.42 C ATOM 0 H ILE A 61 10.896 1.908 1.301 1.00 11.08 H new ATOM 0 HA ILE A 61 10.278 -0.064 3.425 1.00 11.78 H new ATOM 0 HB ILE A 61 8.921 0.766 0.870 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.872 0.936 3.741 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.802 2.244 3.039 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.116 -0.840 1.536 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.651 -1.683 1.223 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.118 -1.397 2.897 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.345 2.647 2.720 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.142 2.427 1.144 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.197 1.098 1.857 1.00 11.42 H new ATOM 981 N GLN A 62 11.615 -1.757 2.238 1.00 13.97 N ATOM 982 CA GLN A 62 12.538 -2.689 1.599 1.00 15.52 C ATOM 983 C GLN A 62 12.022 -4.117 1.764 1.00 13.94 C ATOM 984 O GLN A 62 10.864 -4.276 2.147 1.00 12.15 O ATOM 985 CB GLN A 62 13.895 -2.624 2.306 1.00 19.53 C ATOM 986 CG GLN A 62 14.572 -1.242 2.280 1.00 26.38 C ATOM 987 CD GLN A 62 16.079 -1.226 2.747 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.982 -1.878 2.210 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.411 -0.434 3.826 1.00 32.71 N ATOM 0 H GLN A 62 11.477 -1.918 3.236 1.00 13.97 H new ATOM 0 HA GLN A 62 12.626 -2.424 0.545 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.763 -2.928 3.344 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.565 -3.349 1.844 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.518 -0.847 1.265 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.003 -0.564 2.916 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.692 0.118 4.294 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.376 -0.400 4.156 1.00 32.71 H new ATOM 998 N LYS A 63 12.870 -5.117 1.354 1.00 11.73 N ATOM 999 CA LYS A 63 12.561 -6.519 1.496 1.00 11.97 C ATOM 1000 C LYS A 63 11.837 -6.964 2.824 1.00 10.41 C ATOM 1001 O LYS A 63 12.327 -6.775 3.904 1.00 9.59 O ATOM 1002 CB LYS A 63 13.784 -7.411 1.210 1.00 13.73 C ATOM 1003 CG LYS A 63 15.017 -7.203 2.161 1.00 16.98 C ATOM 1004 CD LYS A 63 15.890 -8.459 2.047 1.00 20.19 C ATOM 1005 CE LYS A 63 15.561 -9.787 2.818 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.625 -10.829 2.678 1.00 25.97 N ATOM 0 H LYS A 63 13.776 -4.938 0.921 1.00 11.73 H new ATOM 0 HA LYS A 63 11.804 -6.671 0.726 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.472 -8.454 1.272 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.107 -7.235 0.184 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.580 -6.315 1.874 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.689 -7.053 3.190 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.932 -8.715 0.988 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.897 -8.167 2.344 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.420 -9.561 3.875 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.617 -10.189 2.450 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.349 -11.680 3.209 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.744 -11.071 1.674 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.522 -10.462 3.054 1.00 25.97 H new ATOM 1020 N GLU A 64 10.659 -7.619 2.650 1.00 10.04 N ATOM 1021 CA GLU A 64 9.857 -8.291 3.660 1.00 10.94 C ATOM 1022 C GLU A 64 9.310 -7.278 4.680 1.00 9.74 C ATOM 1023 O GLU A 64 9.036 -7.593 5.824 1.00 9.42 O ATOM 1024 CB GLU A 64 10.651 -9.521 4.234 1.00 18.31 C ATOM 1025 CG GLU A 64 11.045 -10.490 3.110 1.00 24.16 C ATOM 1026 CD GLU A 64 11.490 -11.792 3.754 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.511 -11.839 4.475 1.00 31.72 O ATOM 1028 OE2 GLU A 64 10.828 -12.800 3.390 1.00 32.61 O ATOM 0 H GLU A 64 10.230 -7.685 1.727 1.00 10.04 H new ATOM 0 HA GLU A 64 8.955 -8.727 3.230 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.546 -9.173 4.750 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.040 -10.042 4.971 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.201 -10.663 2.442 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.849 -10.068 2.506 1.00 24.16 H new ATOM 1035 N SER A 65 9.033 -6.052 4.243 1.00 6.85 N ATOM 1036 CA SER A 65 8.316 -5.044 5.024 1.00 6.90 C ATOM 1037 C SER A 65 6.843 -5.371 5.218 1.00 4.72 C ATOM 1038 O SER A 65 6.156 -5.959 4.364 1.00 3.91 O ATOM 1039 CB SER A 65 8.346 -3.620 4.366 1.00 7.28 C ATOM 1040 OG SER A 65 9.691 -3.141 4.281 1.00 10.56 O ATOM 0 H SER A 65 9.306 -5.723 3.317 1.00 6.85 H new ATOM 0 HA SER A 65 8.846 -5.048 5.977 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.904 -3.663 3.370 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.743 -2.928 4.953 1.00 7.28 H new ATOM 0 HG SER A 65 10.223 -3.756 3.734 1.00 10.56 H new ATOM 1046 N THR A 66 6.284 -4.934 6.405 1.00 4.48 N ATOM 1047 CA THR A 66 4.941 -5.196 6.821 1.00 3.80 C ATOM 1048 C THR A 66 4.209 -3.858 6.946 1.00 4.60 C ATOM 1049 O THR A 66 4.610 -2.987 7.717 1.00 5.33 O ATOM 1050 CB THR A 66 4.795 -6.076 8.049 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.641 -7.243 8.000 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.351 -6.630 8.184 1.00 3.40 C ATOM 0 H THR A 66 6.808 -4.380 7.082 1.00 4.48 H new ATOM 0 HA THR A 66 4.473 -5.809 6.051 1.00 3.80 H new ATOM 0 HB THR A 66 5.068 -5.429 8.883 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.512 -7.775 8.813 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.283 -7.256 9.074 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.649 -5.800 8.269 1.00 3.40 H new ATOM 0 HG23 THR A 66 3.105 -7.224 7.304 1.00 3.40 H new ATOM 1060 N LEU A 67 3.217 -3.655 6.114 1.00 4.17 N ATOM 1061 CA LEU A 67 2.436 -2.421 5.990 1.00 3.85 C ATOM 1062 C LEU A 67 0.957 -2.640 6.303 1.00 3.80 C ATOM 1063 O LEU A 67 0.587 -3.769 6.624 1.00 5.54 O ATOM 1064 CB LEU A 67 2.514 -1.934 4.533 1.00 7.18 C ATOM 1065 CG LEU A 67 3.903 -1.843 3.855 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.251 -3.163 3.170 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.033 -0.713 2.837 1.00 11.66 C ATOM 0 H LEU A 67 2.906 -4.377 5.465 1.00 4.17 H new ATOM 0 HA LEU A 67 2.850 -1.702 6.697 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.894 -2.596 3.929 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.059 -0.944 4.490 1.00 7.18 H new ATOM 0 HG LEU A 67 4.600 -1.625 4.664 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.230 -3.081 2.699 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.270 -3.963 3.910 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.501 -3.388 2.412 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.036 -0.721 2.410 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.300 -0.853 2.043 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.856 0.243 3.330 1.00 11.66 H new ATOM 1079 N HIS A 68 0.148 -1.598 6.387 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.277 -1.645 6.703 1.00 4.17 C ATOM 1081 C HIS A 68 -2.060 -1.059 5.513 1.00 5.32 C ATOM 1082 O HIS A 68 -1.694 -0.142 4.847 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.520 -0.912 7.993 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.505 -1.288 9.084 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.679 -0.715 9.453 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.575 -2.386 9.841 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.293 -1.502 10.323 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.571 -2.551 10.629 1.00 16.30 N ATOM 0 H HIS A 68 0.480 -0.646 6.229 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.624 -2.667 6.852 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.472 0.162 7.812 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.527 -1.131 8.347 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.415 -3.065 9.845 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.273 -1.303 10.732 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.790 -3.304 11.281 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.270 -1.630 5.275 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.162 -1.132 4.269 1.00 3.97 C ATOM 1098 C LEU A 69 -5.417 -0.665 4.966 1.00 5.07 C ATOM 1099 O LEU A 69 -5.959 -1.379 5.826 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.639 -2.353 3.430 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.539 -2.007 2.203 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.204 -0.808 1.339 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.728 -3.167 1.232 1.00 9.96 C ATOM 0 H LEU A 69 -3.625 -2.439 5.785 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.675 -0.355 3.679 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.762 -2.894 3.075 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.189 -3.030 4.084 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.438 -1.752 2.764 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.936 -0.722 0.536 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.225 0.096 1.947 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.209 -0.934 0.911 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.365 -2.850 0.406 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.758 -3.478 0.844 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.197 -4.003 1.751 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.923 0.580 4.622 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.124 1.016 5.222 1.00 6.26 C ATOM 1117 C VAL A 70 -8.124 1.304 4.137 1.00 9.22 C ATOM 1118 O VAL A 70 -7.846 2.019 3.172 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.844 2.242 6.047 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.193 2.850 6.538 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.843 1.929 7.127 1.00 8.54 C ATOM 0 H VAL A 70 -5.498 1.228 3.959 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.533 0.249 5.880 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.368 3.021 5.452 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.995 3.739 7.137 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.805 3.121 5.677 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.724 2.116 7.144 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.650 2.826 7.716 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.240 1.148 7.775 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.913 1.586 6.673 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.313 0.702 4.196 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.315 0.768 3.180 1.00 16.06 C ATOM 1133 C LEU A 71 -11.323 1.749 3.601 1.00 18.09 C ATOM 1134 O LEU A 71 -11.995 1.529 4.588 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.933 -0.631 3.022 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.938 -1.734 2.565 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.536 -3.152 2.336 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.070 -1.302 1.373 1.00 19.57 C ATOM 0 H LEU A 71 -9.597 0.136 4.995 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.900 1.077 2.220 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.372 -0.929 3.974 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.747 -0.574 2.300 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.298 -1.845 3.440 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.746 -3.833 2.020 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.978 -3.515 3.264 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.303 -3.103 1.563 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.396 -2.114 1.100 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.711 -1.062 0.524 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.487 -0.423 1.647 1.00 19.57 H new