USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 22 THR OG1 : rot -40:sc= 0.139 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.8 K(o=0.94,f=-5.2!) USER MOD Set 2.1: A 7 THR OG1 : rot 114:sc= 0.15 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0327 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.077 (180deg=-0.132) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.21 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -128:sc= 1.21 (180deg=-0.223) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -92:sc= 0.00253 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.807) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= -0.0227 (180deg=-0.0702) USER MOD Single : A 31 GLN : amide:sc= -0.754 K(o=-0.75,f=-4.4!) 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=-0.2) USER MOD Single : A 41 GLN : amide:sc= 0.0675 K(o=0.067,f=-2.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.948 K(o=0.95,f=-5.3!) USER MOD Single : A 55 THR OG1 : rot -170:sc= 0.514 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 1.04 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.0392 X(o=0.039,f=-0.17) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -99:sc= 0.0156 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.594 1.932 -5.789 1.00 9.67 N ATOM 2 CA MET A 1 -12.558 2.488 -4.418 1.00 10.38 C ATOM 3 C MET A 1 -11.352 3.262 -4.010 1.00 9.62 C ATOM 4 O MET A 1 -10.211 2.803 -4.039 1.00 9.62 O ATOM 5 CB MET A 1 -13.013 1.386 -3.446 1.00 13.77 C ATOM 6 CG MET A 1 -12.025 0.272 -3.095 1.00 16.29 C ATOM 7 SD MET A 1 -12.378 -0.839 -1.700 1.00 17.17 S ATOM 8 CE MET A 1 -10.670 -1.439 -1.558 1.00 16.11 C ATOM 0 H1 MET A 1 -13.457 1.364 -5.911 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.592 2.710 -6.479 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.759 1.331 -5.942 1.00 9.67 H new ATOM 0 HA MET A 1 -13.266 3.316 -4.388 1.00 10.38 H new ATOM 0 HB2 MET A 1 -13.314 1.868 -2.516 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.904 0.919 -3.867 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.905 -0.349 -3.983 1.00 16.29 H new ATOM 0 HG3 MET A 1 -11.060 0.741 -2.901 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.635 -2.274 -0.858 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.318 -1.770 -2.535 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.031 -0.634 -1.196 1.00 16.11 H new ATOM 20 N GLN A 2 -11.494 4.562 -3.697 1.00 9.27 N ATOM 21 CA GLN A 2 -10.479 5.491 -3.306 1.00 9.07 C ATOM 22 C GLN A 2 -9.975 5.224 -1.930 1.00 8.72 C ATOM 23 O GLN A 2 -10.769 5.117 -0.997 1.00 8.22 O ATOM 24 CB GLN A 2 -10.757 7.003 -3.363 1.00 14.46 C ATOM 25 CG GLN A 2 -11.016 7.500 -4.787 1.00 17.01 C ATOM 26 CD GLN A 2 -11.224 9.002 -4.919 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.592 9.688 -5.720 1.00 21.89 O ATOM 28 NE2 GLN A 2 -12.114 9.565 -4.059 1.00 19.49 N ATOM 0 H GLN A 2 -12.413 5.005 -3.721 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.762 5.291 -4.103 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -11.620 7.234 -2.739 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.907 7.541 -2.943 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.174 7.209 -5.415 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.897 6.991 -5.178 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -12.629 8.979 -3.402 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -12.267 10.573 -4.071 1.00 19.49 H new ATOM 37 N ILE A 3 -8.647 5.168 -1.722 1.00 5.87 N ATOM 38 CA ILE A 3 -7.979 4.729 -0.536 1.00 5.07 C ATOM 39 C ILE A 3 -6.930 5.777 -0.386 1.00 4.01 C ATOM 40 O ILE A 3 -6.600 6.471 -1.347 1.00 4.61 O ATOM 41 CB ILE A 3 -7.301 3.395 -0.635 1.00 6.55 C ATOM 42 CG1 ILE A 3 -6.510 3.287 -1.950 1.00 4.72 C ATOM 43 CG2 ILE A 3 -8.372 2.296 -0.526 1.00 5.58 C ATOM 44 CD1 ILE A 3 -5.468 2.169 -1.940 1.00 10.83 C ATOM 0 H ILE A 3 -7.987 5.454 -2.445 1.00 5.87 H new ATOM 0 HA ILE A 3 -8.688 4.605 0.282 1.00 5.07 H new ATOM 0 HB ILE A 3 -6.584 3.276 0.177 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -7.206 3.118 -2.772 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -6.012 4.237 -2.145 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.897 1.317 -0.596 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.886 2.382 0.431 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -9.093 2.409 -1.336 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.947 2.149 -2.897 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.750 2.348 -1.140 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.963 1.212 -1.776 1.00 10.83 H new ATOM 56 N PHE A 4 -6.417 6.031 0.831 1.00 4.55 N ATOM 57 CA PHE A 4 -5.352 6.934 1.141 1.00 4.68 C ATOM 58 C PHE A 4 -4.067 6.273 1.503 1.00 5.30 C ATOM 59 O PHE A 4 -4.072 5.609 2.538 1.00 5.58 O ATOM 60 CB PHE A 4 -5.679 7.858 2.326 1.00 4.83 C ATOM 61 CG PHE A 4 -6.856 8.674 1.914 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.693 9.762 1.090 1.00 6.69 C ATOM 63 CD2 PHE A 4 -8.133 8.428 2.363 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.736 10.632 0.878 1.00 9.10 C ATOM 65 CE2 PHE A 4 -9.229 9.209 2.080 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.991 10.363 1.372 1.00 8.90 C ATOM 0 H PHE A 4 -6.777 5.567 1.665 1.00 4.55 H new ATOM 0 HA PHE A 4 -5.241 7.489 0.209 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.904 7.277 3.220 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.829 8.497 2.566 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.742 9.934 0.607 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -8.286 7.557 2.983 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.568 11.539 0.316 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -10.223 8.931 2.397 1.00 10.61 H new ATOM 0 HZ PHE A 4 -9.795 11.063 1.202 1.00 8.90 H new ATOM 76 N VAL A 5 -2.945 6.454 0.783 1.00 4.44 N ATOM 77 CA VAL A 5 -1.750 5.750 1.131 1.00 3.87 C ATOM 78 C VAL A 5 -0.795 6.811 1.558 1.00 4.93 C ATOM 79 O VAL A 5 -0.255 7.610 0.794 1.00 6.84 O ATOM 80 CB VAL A 5 -1.193 4.843 0.075 1.00 2.99 C ATOM 81 CG1 VAL A 5 -0.020 4.018 0.630 1.00 5.28 C ATOM 82 CG2 VAL A 5 -2.277 3.915 -0.498 1.00 9.13 C ATOM 0 H VAL A 5 -2.864 7.074 -0.023 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.962 5.032 1.923 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.825 5.470 -0.737 1.00 2.99 H new ATOM 0 HG11 VAL A 5 0.369 3.367 -0.153 1.00 5.28 H new ATOM 0 HG12 VAL A 5 0.769 4.689 0.969 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.365 3.412 1.468 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.839 3.271 -1.261 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.690 3.301 0.302 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -3.072 4.515 -0.942 1.00 9.13 H new ATOM 92 N LYS A 6 -0.632 6.874 2.891 1.00 6.04 N ATOM 93 CA LYS A 6 0.134 7.807 3.657 1.00 6.12 C ATOM 94 C LYS A 6 1.540 7.360 3.867 1.00 6.57 C ATOM 95 O LYS A 6 1.838 6.285 4.386 1.00 5.76 O ATOM 96 CB LYS A 6 -0.601 8.202 4.949 1.00 7.45 C ATOM 97 CG LYS A 6 0.160 9.164 5.865 1.00 11.12 C ATOM 98 CD LYS A 6 -0.665 9.540 7.097 1.00 14.54 C ATOM 99 CE LYS A 6 0.046 10.509 8.043 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.951 11.075 8.978 1.00 20.55 N ATOM 0 H LYS A 6 -1.090 6.193 3.497 1.00 6.04 H new ATOM 0 HA LYS A 6 0.226 8.722 3.072 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.554 8.659 4.681 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.829 7.296 5.510 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.096 8.703 6.180 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.419 10.066 5.311 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.604 9.988 6.771 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.918 8.632 7.644 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.831 9.991 8.595 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.528 11.306 7.476 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.481 11.737 9.628 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.684 11.580 8.440 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.390 10.307 9.524 1.00 20.55 H new ATOM 114 N THR A 7 2.489 8.213 3.443 1.00 7.41 N ATOM 115 CA THR A 7 3.880 7.884 3.418 1.00 7.48 C ATOM 116 C THR A 7 4.537 7.966 4.753 1.00 8.75 C ATOM 117 O THR A 7 3.964 8.394 5.754 1.00 8.58 O ATOM 118 CB THR A 7 4.679 8.577 2.354 1.00 9.61 C ATOM 119 OG1 THR A 7 4.707 9.985 2.532 1.00 11.78 O ATOM 120 CG2 THR A 7 4.028 8.214 1.009 1.00 9.17 C ATOM 0 H THR A 7 2.284 9.155 3.109 1.00 7.41 H new ATOM 0 HA THR A 7 3.879 6.833 3.131 1.00 7.48 H new ATOM 0 HB THR A 7 5.718 8.251 2.398 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.620 10.269 2.748 1.00 11.78 H new ATOM 0 HG21 THR A 7 4.575 8.696 0.198 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.054 7.133 0.872 1.00 9.17 H new ATOM 0 HG23 THR A 7 2.993 8.556 1.002 1.00 9.17 H new ATOM 128 N LEU A 8 5.758 7.434 4.944 1.00 9.84 N ATOM 129 CA LEU A 8 6.534 7.531 6.141 1.00 14.15 C ATOM 130 C LEU A 8 6.845 8.921 6.580 1.00 17.37 C ATOM 131 O LEU A 8 6.806 9.227 7.770 1.00 17.01 O ATOM 132 CB LEU A 8 7.812 6.707 5.910 1.00 16.63 C ATOM 133 CG LEU A 8 8.692 6.673 7.171 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.017 6.206 8.471 1.00 18.59 C ATOM 135 CD2 LEU A 8 9.896 5.762 6.879 1.00 19.31 C ATOM 0 H LEU A 8 6.233 6.902 4.215 1.00 9.84 H new ATOM 0 HA LEU A 8 5.941 7.139 6.967 1.00 14.15 H new ATOM 0 HB2 LEU A 8 7.544 5.690 5.623 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.377 7.133 5.081 1.00 16.63 H new ATOM 0 HG LEU A 8 8.963 7.711 7.366 1.00 18.88 H new ATOM 0 HD11 LEU A 8 8.742 6.227 9.285 1.00 18.59 H new ATOM 0 HD12 LEU A 8 7.186 6.870 8.708 1.00 18.59 H new ATOM 0 HD13 LEU A 8 7.644 5.190 8.343 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.540 5.718 7.757 1.00 19.31 H new ATOM 0 HD22 LEU A 8 9.543 4.759 6.637 1.00 19.31 H new ATOM 0 HD23 LEU A 8 10.459 6.162 6.036 1.00 19.31 H new ATOM 147 N THR A 9 7.312 9.779 5.655 1.00 18.33 N ATOM 148 CA THR A 9 7.636 11.170 5.717 1.00 19.24 C ATOM 149 C THR A 9 6.398 11.938 6.028 1.00 19.48 C ATOM 150 O THR A 9 6.438 12.403 7.166 1.00 23.14 O ATOM 151 CB THR A 9 8.136 11.802 4.452 1.00 18.97 C ATOM 152 OG1 THR A 9 7.581 11.378 3.216 1.00 20.24 O ATOM 153 CG2 THR A 9 9.642 11.489 4.414 1.00 19.70 C ATOM 0 H THR A 9 7.488 9.431 4.712 1.00 18.33 H new ATOM 0 HA THR A 9 8.431 11.210 6.461 1.00 19.24 H new ATOM 0 HB THR A 9 7.847 12.851 4.511 1.00 18.97 H new ATOM 0 HG1 THR A 9 7.999 11.875 2.482 1.00 20.24 H new ATOM 0 HG21 THR A 9 10.081 11.920 3.514 1.00 19.70 H new ATOM 0 HG22 THR A 9 10.125 11.916 5.293 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.789 10.409 4.408 1.00 19.70 H new ATOM 161 N GLY A 10 5.394 12.066 5.142 1.00 19.43 N ATOM 162 CA GLY A 10 4.212 12.800 5.474 1.00 18.74 C ATOM 163 C GLY A 10 3.369 13.240 4.327 1.00 17.62 C ATOM 164 O GLY A 10 2.984 14.405 4.244 1.00 19.74 O ATOM 0 H GLY A 10 5.399 11.665 4.204 1.00 19.43 H new ATOM 0 HA2 GLY A 10 3.600 12.184 6.133 1.00 18.74 H new ATOM 0 HA3 GLY A 10 4.505 13.682 6.043 1.00 18.74 H new ATOM 168 N LYS A 11 3.106 12.358 3.346 1.00 13.56 N ATOM 169 CA LYS A 11 2.439 12.702 2.129 1.00 11.91 C ATOM 170 C LYS A 11 1.301 11.754 1.970 1.00 10.18 C ATOM 171 O LYS A 11 1.424 10.584 2.330 1.00 9.10 O ATOM 172 CB LYS A 11 3.371 12.477 0.926 1.00 13.43 C ATOM 173 CG LYS A 11 2.722 12.913 -0.389 1.00 16.69 C ATOM 174 CD LYS A 11 3.783 12.903 -1.491 1.00 17.92 C ATOM 175 CE LYS A 11 3.212 13.132 -2.892 1.00 20.81 C ATOM 176 NZ LYS A 11 4.315 13.016 -3.872 1.00 21.93 N ATOM 0 H LYS A 11 3.366 11.373 3.402 1.00 13.56 H new ATOM 0 HA LYS A 11 2.125 13.745 2.167 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.297 13.033 1.075 1.00 13.43 H new ATOM 0 HB3 LYS A 11 3.638 11.422 0.866 1.00 13.43 H new ATOM 0 HG2 LYS A 11 1.904 12.241 -0.647 1.00 16.69 H new ATOM 0 HG3 LYS A 11 2.294 13.910 -0.286 1.00 16.69 H new ATOM 0 HD2 LYS A 11 4.523 13.675 -1.279 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.305 11.947 -1.472 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.434 12.400 -3.109 1.00 20.81 H new ATOM 0 HE3 LYS A 11 2.750 14.117 -2.957 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 4.325 13.857 -4.484 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.222 12.944 -3.367 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.174 12.166 -4.454 1.00 21.93 H new ATOM 190 N THR A 12 0.147 12.223 1.464 1.00 9.63 N ATOM 191 CA THR A 12 -0.943 11.336 1.195 1.00 9.85 C ATOM 192 C THR A 12 -1.128 11.283 -0.282 1.00 11.66 C ATOM 193 O THR A 12 -1.165 12.284 -0.996 1.00 12.33 O ATOM 194 CB THR A 12 -2.189 11.684 1.954 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.984 12.002 3.323 1.00 10.91 O ATOM 196 CG2 THR A 12 -3.076 10.428 1.997 1.00 9.63 C ATOM 0 H THR A 12 -0.031 13.203 1.243 1.00 9.63 H new ATOM 0 HA THR A 12 -0.707 10.336 1.559 1.00 9.85 H new ATOM 0 HB THR A 12 -2.608 12.551 1.443 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.844 12.217 3.741 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.993 10.649 2.544 1.00 9.63 H new ATOM 0 HG22 THR A 12 -3.324 10.123 0.980 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.540 9.621 2.497 1.00 9.63 H new ATOM 204 N ILE A 13 -1.242 10.074 -0.860 1.00 10.42 N ATOM 205 CA ILE A 13 -1.610 10.001 -2.240 1.00 11.84 C ATOM 206 C ILE A 13 -2.846 9.169 -2.276 1.00 10.55 C ATOM 207 O ILE A 13 -3.111 8.306 -1.440 1.00 11.92 O ATOM 208 CB ILE A 13 -0.646 9.346 -3.184 1.00 14.86 C ATOM 209 CG1 ILE A 13 -0.437 7.830 -3.030 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.604 10.241 -3.116 1.00 17.08 C ATOM 211 CD1 ILE A 13 0.572 7.124 -3.935 1.00 16.46 C ATOM 0 H ILE A 13 -1.087 9.180 -0.395 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.687 11.034 -2.581 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.046 9.303 -4.197 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -0.141 7.642 -1.998 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.404 7.348 -3.177 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.373 9.842 -3.777 1.00 17.08 H new ATOM 0 HG22 ILE A 13 0.345 11.252 -3.429 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.981 10.263 -2.093 1.00 17.08 H new ATOM 0 HD11 ILE A 13 0.595 6.061 -3.695 1.00 16.46 H new ATOM 0 HD12 ILE A 13 0.280 7.254 -4.977 1.00 16.46 H new ATOM 0 HD13 ILE A 13 1.562 7.553 -3.780 1.00 16.46 H new ATOM 223 N THR A 14 -3.800 9.448 -3.182 1.00 9.39 N ATOM 224 CA THR A 14 -5.138 8.944 -3.204 1.00 9.63 C ATOM 225 C THR A 14 -5.271 8.067 -4.401 1.00 11.20 C ATOM 226 O THR A 14 -5.284 8.586 -5.516 1.00 11.63 O ATOM 227 CB THR A 14 -6.117 10.078 -3.283 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.865 11.058 -2.287 1.00 16.30 O ATOM 229 CG2 THR A 14 -7.476 9.471 -2.896 1.00 11.66 C ATOM 0 H THR A 14 -3.619 10.078 -3.963 1.00 9.39 H new ATOM 0 HA THR A 14 -5.348 8.382 -2.294 1.00 9.63 H new ATOM 0 HB THR A 14 -6.064 10.531 -4.273 1.00 10.38 H new ATOM 0 HG1 THR A 14 -6.392 10.853 -1.486 1.00 16.30 H new ATOM 0 HG21 THR A 14 -8.243 10.244 -2.932 1.00 11.66 H new ATOM 0 HG22 THR A 14 -7.731 8.674 -3.595 1.00 11.66 H new ATOM 0 HG23 THR A 14 -7.418 9.063 -1.887 1.00 11.66 H new ATOM 237 N LEU A 15 -5.402 6.745 -4.189 1.00 8.29 N ATOM 238 CA LEU A 15 -5.336 5.802 -5.262 1.00 9.03 C ATOM 239 C LEU A 15 -6.626 5.082 -5.461 1.00 8.59 C ATOM 240 O LEU A 15 -7.347 4.906 -4.480 1.00 7.79 O ATOM 241 CB LEU A 15 -4.227 4.770 -5.001 1.00 11.08 C ATOM 242 CG LEU A 15 -2.800 5.342 -4.951 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.844 4.311 -4.329 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.385 5.822 -6.352 1.00 15.88 C ATOM 0 H LEU A 15 -5.554 6.328 -3.271 1.00 8.29 H new ATOM 0 HA LEU A 15 -5.118 6.371 -6.166 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.434 4.269 -4.055 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.269 4.009 -5.781 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.757 6.218 -4.304 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.835 4.723 -4.297 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.172 4.075 -3.317 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.846 3.403 -4.932 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -1.374 6.227 -6.313 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.414 4.983 -7.047 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -3.073 6.597 -6.690 1.00 15.88 H new ATOM 256 N GLU A 16 -6.867 4.652 -6.712 1.00 11.04 N ATOM 257 CA GLU A 16 -7.861 3.657 -6.969 1.00 11.50 C ATOM 258 C GLU A 16 -7.405 2.246 -7.121 1.00 10.13 C ATOM 259 O GLU A 16 -6.597 1.812 -7.940 1.00 9.83 O ATOM 260 CB GLU A 16 -8.543 4.118 -8.268 1.00 17.22 C ATOM 261 CG GLU A 16 -9.111 5.533 -8.141 1.00 23.33 C ATOM 262 CD GLU A 16 -9.888 5.916 -9.392 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.982 5.312 -9.559 1.00 28.90 O ATOM 264 OE2 GLU A 16 -9.430 6.689 -10.275 1.00 28.86 O ATOM 0 H GLU A 16 -6.378 4.990 -7.540 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.501 3.601 -6.089 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.824 4.087 -9.087 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.346 3.426 -8.522 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.763 5.591 -7.270 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.300 6.243 -7.980 1.00 23.33 H new ATOM 271 N VAL A 17 -8.060 1.427 -6.278 1.00 8.99 N ATOM 272 CA VAL A 17 -8.058 -0.002 -6.330 1.00 8.85 C ATOM 273 C VAL A 17 -9.443 -0.549 -6.373 1.00 8.04 C ATOM 274 O VAL A 17 -10.381 0.244 -6.307 1.00 8.99 O ATOM 275 CB VAL A 17 -7.326 -0.523 -5.128 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.815 -0.253 -5.022 1.00 12.05 C ATOM 277 CG2 VAL A 17 -7.983 -0.011 -3.835 1.00 10.54 C ATOM 0 H VAL A 17 -8.627 1.788 -5.511 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.557 -0.324 -7.243 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.411 -1.601 -5.265 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.431 -0.691 -4.101 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.305 -0.699 -5.876 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.637 0.822 -5.014 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.440 -0.398 -2.973 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.957 1.079 -3.821 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.018 -0.350 -3.794 1.00 10.54 H new ATOM 287 N GLU A 18 -9.593 -1.878 -6.520 1.00 7.29 N ATOM 288 CA GLU A 18 -10.798 -2.629 -6.349 1.00 7.08 C ATOM 289 C GLU A 18 -10.728 -3.298 -5.019 1.00 6.45 C ATOM 290 O GLU A 18 -9.646 -3.218 -4.439 1.00 5.28 O ATOM 291 CB GLU A 18 -10.872 -3.569 -7.564 1.00 10.28 C ATOM 292 CG GLU A 18 -11.109 -2.839 -8.887 1.00 12.65 C ATOM 293 CD GLU A 18 -11.071 -3.805 -10.063 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.083 -4.539 -10.222 1.00 18.17 O ATOM 295 OE2 GLU A 18 -10.032 -3.777 -10.775 1.00 14.33 O ATOM 0 H GLU A 18 -8.807 -2.474 -6.779 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.718 -2.044 -6.330 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -9.943 -4.135 -7.632 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.674 -4.290 -7.407 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.075 -2.334 -8.859 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -10.350 -2.068 -9.021 1.00 12.65 H new ATOM 302 N PRO A 19 -11.725 -4.024 -4.607 1.00 7.24 N ATOM 303 CA PRO A 19 -11.600 -4.951 -3.521 1.00 7.07 C ATOM 304 C PRO A 19 -10.810 -6.178 -3.821 1.00 6.65 C ATOM 305 O PRO A 19 -10.195 -6.769 -2.935 1.00 6.37 O ATOM 306 CB PRO A 19 -13.047 -5.262 -3.145 1.00 7.61 C ATOM 307 CG PRO A 19 -13.855 -4.032 -3.590 1.00 8.16 C ATOM 308 CD PRO A 19 -13.087 -3.570 -4.838 1.00 7.49 C ATOM 0 HA PRO A 19 -11.023 -4.516 -2.705 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.398 -6.165 -3.645 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -13.147 -5.432 -2.073 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.890 -4.287 -3.820 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.880 -3.261 -2.820 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.504 -4.006 -5.746 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.131 -2.487 -4.955 1.00 7.49 H new ATOM 316 N SER A 20 -10.819 -6.510 -5.124 1.00 6.80 N ATOM 317 CA SER A 20 -10.100 -7.603 -5.701 1.00 6.28 C ATOM 318 C SER A 20 -8.666 -7.411 -6.055 1.00 8.45 C ATOM 319 O SER A 20 -7.966 -8.373 -6.365 1.00 7.26 O ATOM 320 CB SER A 20 -10.806 -7.960 -7.021 1.00 8.57 C ATOM 321 OG SER A 20 -12.219 -7.982 -6.887 1.00 11.13 O ATOM 0 H SER A 20 -11.358 -5.986 -5.813 1.00 6.80 H new ATOM 0 HA SER A 20 -10.101 -8.356 -4.913 1.00 6.28 H new ATOM 0 HB2 SER A 20 -10.527 -7.236 -7.787 1.00 8.57 H new ATOM 0 HB3 SER A 20 -10.460 -8.936 -7.363 1.00 8.57 H new ATOM 0 HG SER A 20 -12.626 -8.211 -7.749 1.00 11.13 H new ATOM 327 N ASP A 21 -8.158 -6.167 -5.988 1.00 7.50 N ATOM 328 CA ASP A 21 -6.748 -5.993 -6.152 1.00 7.70 C ATOM 329 C ASP A 21 -5.873 -6.509 -5.062 1.00 7.08 C ATOM 330 O ASP A 21 -6.291 -6.635 -3.912 1.00 8.11 O ATOM 331 CB ASP A 21 -6.463 -4.495 -6.357 1.00 11.00 C ATOM 332 CG ASP A 21 -6.791 -4.004 -7.760 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.271 -4.569 -8.759 1.00 18.03 O ATOM 334 OD2 ASP A 21 -7.650 -3.083 -7.778 1.00 14.36 O ATOM 0 H ASP A 21 -8.696 -5.315 -5.827 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.489 -6.606 -7.016 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -7.042 -3.920 -5.634 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.411 -4.301 -6.149 1.00 11.00 H new ATOM 339 N THR A 22 -4.603 -6.829 -5.369 1.00 5.37 N ATOM 340 CA THR A 22 -3.749 -7.403 -4.376 1.00 6.01 C ATOM 341 C THR A 22 -2.776 -6.356 -3.954 1.00 8.01 C ATOM 342 O THR A 22 -2.830 -5.236 -4.459 1.00 8.11 O ATOM 343 CB THR A 22 -3.023 -8.665 -4.738 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.170 -8.525 -5.864 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.942 -9.836 -5.124 1.00 9.65 C ATOM 0 H THR A 22 -4.174 -6.694 -6.285 1.00 5.37 H new ATOM 0 HA THR A 22 -4.412 -7.726 -3.574 1.00 6.01 H new ATOM 0 HB THR A 22 -2.473 -8.869 -3.819 1.00 8.92 H new ATOM 0 HG1 THR A 22 -2.608 -7.965 -6.539 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.336 -10.708 -5.371 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.598 -10.075 -4.287 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.544 -9.556 -5.988 1.00 9.65 H new ATOM 353 N ILE A 23 -1.769 -6.695 -3.129 1.00 8.32 N ATOM 354 CA ILE A 23 -0.799 -5.762 -2.645 1.00 9.92 C ATOM 355 C ILE A 23 0.280 -5.514 -3.643 1.00 10.01 C ATOM 356 O ILE A 23 0.904 -4.461 -3.764 1.00 8.71 O ATOM 357 CB ILE A 23 -0.226 -6.288 -1.363 1.00 10.78 C ATOM 358 CG1 ILE A 23 -1.321 -6.609 -0.331 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.915 -5.517 -0.679 1.00 10.90 C ATOM 360 CD1 ILE A 23 -2.264 -5.461 0.023 1.00 12.30 C ATOM 0 H ILE A 23 -1.625 -7.646 -2.789 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.289 -4.804 -2.470 1.00 9.92 H new ATOM 0 HB ILE A 23 0.267 -7.189 -1.728 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -1.917 -7.439 -0.710 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -0.840 -6.953 0.585 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.209 -6.036 0.234 1.00 10.90 H new ATOM 0 HG22 ILE A 23 1.769 -5.458 -1.353 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.577 -4.511 -0.432 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -2.993 -5.802 0.758 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -1.690 -4.633 0.439 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -2.783 -5.127 -0.875 1.00 12.30 H new ATOM 372 N GLU A 24 0.536 -6.486 -4.536 1.00 9.54 N ATOM 373 CA GLU A 24 1.273 -6.396 -5.758 1.00 11.81 C ATOM 374 C GLU A 24 0.779 -5.308 -6.649 1.00 11.14 C ATOM 375 O GLU A 24 1.514 -4.524 -7.247 1.00 10.62 O ATOM 376 CB GLU A 24 1.167 -7.745 -6.488 1.00 19.24 C ATOM 377 CG GLU A 24 1.994 -7.796 -7.774 1.00 27.76 C ATOM 378 CD GLU A 24 1.991 -9.184 -8.399 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.929 -9.632 -8.908 1.00 36.51 O ATOM 380 OE2 GLU A 24 3.070 -9.831 -8.468 1.00 34.80 O ATOM 0 H GLU A 24 0.189 -7.433 -4.383 1.00 9.54 H new ATOM 0 HA GLU A 24 2.308 -6.158 -5.512 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.496 -8.540 -5.819 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.122 -7.941 -6.727 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.597 -7.075 -8.489 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.020 -7.498 -7.557 1.00 27.76 H new ATOM 387 N ASN A 25 -0.553 -5.176 -6.783 1.00 9.43 N ATOM 388 CA ASN A 25 -1.191 -4.208 -7.621 1.00 10.96 C ATOM 389 C ASN A 25 -1.140 -2.842 -7.026 1.00 9.68 C ATOM 390 O ASN A 25 -0.798 -1.932 -7.780 1.00 9.33 O ATOM 391 CB ASN A 25 -2.659 -4.531 -7.943 1.00 16.78 C ATOM 392 CG ASN A 25 -2.828 -5.865 -8.658 1.00 22.31 C ATOM 393 OD1 ASN A 25 -3.496 -6.730 -8.095 1.00 25.66 O ATOM 394 ND2 ASN A 25 -2.406 -6.042 -9.939 1.00 24.70 N ATOM 0 H ASN A 25 -1.215 -5.771 -6.285 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.622 -4.243 -8.550 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.234 -4.545 -7.017 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -3.073 -3.736 -8.564 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -2.643 -6.898 -10.441 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -1.852 -5.319 -10.398 1.00 24.70 H new ATOM 401 N VAL A 26 -1.431 -2.666 -5.725 1.00 6.52 N ATOM 402 CA VAL A 26 -1.159 -1.476 -4.980 1.00 5.53 C ATOM 403 C VAL A 26 0.255 -1.038 -5.152 1.00 4.42 C ATOM 404 O VAL A 26 0.484 0.101 -5.557 1.00 3.40 O ATOM 405 CB VAL A 26 -1.395 -1.594 -3.503 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.134 -0.259 -2.785 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.861 -2.022 -3.325 1.00 8.12 C ATOM 0 H VAL A 26 -1.879 -3.391 -5.164 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.864 -0.752 -5.388 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.712 -2.322 -3.065 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.314 -0.379 -1.717 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.100 0.045 -2.947 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.803 0.505 -3.182 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.084 -2.122 -2.263 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.516 -1.269 -3.764 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.024 -2.978 -3.822 1.00 8.12 H new ATOM 417 N LYS A 27 1.283 -1.852 -4.854 1.00 2.64 N ATOM 418 CA LYS A 27 2.648 -1.463 -5.024 1.00 4.14 C ATOM 419 C LYS A 27 3.141 -1.057 -6.370 1.00 5.58 C ATOM 420 O LYS A 27 3.996 -0.200 -6.592 1.00 4.11 O ATOM 421 CB LYS A 27 3.610 -2.544 -4.502 1.00 3.97 C ATOM 422 CG LYS A 27 3.404 -2.848 -3.017 1.00 7.45 C ATOM 423 CD LYS A 27 4.363 -3.987 -2.667 1.00 9.02 C ATOM 424 CE LYS A 27 4.470 -4.288 -1.171 1.00 12.90 C ATOM 425 NZ LYS A 27 5.068 -5.634 -1.024 1.00 15.47 N ATOM 0 H LYS A 27 1.164 -2.797 -4.489 1.00 2.64 H new ATOM 0 HA LYS A 27 2.646 -0.542 -4.440 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.471 -3.458 -5.079 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.638 -2.219 -4.663 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.610 -1.967 -2.409 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.371 -3.137 -2.820 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.039 -4.890 -3.184 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.354 -3.740 -3.047 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.086 -3.539 -0.673 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.486 -4.253 -0.703 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.767 -6.051 -0.120 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.753 -6.241 -1.807 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 6.105 -5.557 -1.041 1.00 15.47 H new ATOM 439 N ALA A 28 2.571 -1.665 -7.426 1.00 6.61 N ATOM 440 CA ALA A 28 2.817 -1.299 -8.786 1.00 7.74 C ATOM 441 C ALA A 28 2.216 0.036 -9.064 1.00 9.17 C ATOM 442 O ALA A 28 2.885 0.923 -9.591 1.00 11.45 O ATOM 443 CB ALA A 28 2.163 -2.328 -9.722 1.00 7.68 C ATOM 0 H ALA A 28 1.915 -2.440 -7.329 1.00 6.61 H new ATOM 0 HA ALA A 28 3.894 -1.267 -8.954 1.00 7.74 H new ATOM 0 HB1 ALA A 28 2.351 -2.048 -10.759 1.00 7.68 H new ATOM 0 HB2 ALA A 28 2.585 -3.314 -9.530 1.00 7.68 H new ATOM 0 HB3 ALA A 28 1.088 -2.352 -9.542 1.00 7.68 H new ATOM 449 N LYS A 29 0.945 0.317 -8.722 1.00 8.96 N ATOM 450 CA LYS A 29 0.355 1.616 -8.811 1.00 7.90 C ATOM 451 C LYS A 29 1.152 2.752 -8.268 1.00 6.92 C ATOM 452 O LYS A 29 1.319 3.839 -8.819 1.00 6.87 O ATOM 453 CB LYS A 29 -1.045 1.625 -8.174 1.00 10.28 C ATOM 454 CG LYS A 29 -2.059 0.851 -9.019 1.00 14.94 C ATOM 455 CD LYS A 29 -3.223 0.296 -8.197 1.00 19.69 C ATOM 456 CE LYS A 29 -4.285 -0.498 -8.961 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.675 0.188 -10.213 1.00 24.98 N ATOM 0 H LYS A 29 0.302 -0.392 -8.369 1.00 8.96 H new ATOM 0 HA LYS A 29 0.307 1.796 -9.885 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.993 1.187 -7.177 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -1.383 2.654 -8.053 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.451 1.506 -9.797 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -1.551 0.028 -9.522 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.814 -0.346 -7.417 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -3.715 1.130 -7.697 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.902 -1.492 -9.193 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.163 -0.634 -8.330 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.466 -0.321 -10.656 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.967 1.163 -9.998 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.866 0.205 -10.866 1.00 24.98 H new ATOM 471 N ILE A 30 1.661 2.509 -7.047 1.00 4.57 N ATOM 472 CA ILE A 30 2.593 3.297 -6.301 1.00 5.58 C ATOM 473 C ILE A 30 3.853 3.584 -7.043 1.00 7.26 C ATOM 474 O ILE A 30 4.296 4.729 -7.114 1.00 9.46 O ATOM 475 CB ILE A 30 2.794 2.780 -4.907 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.570 2.910 -3.986 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.894 3.600 -4.211 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.593 2.261 -2.603 1.00 2.00 C ATOM 0 H ILE A 30 1.389 1.672 -6.531 1.00 4.57 H new ATOM 0 HA ILE A 30 2.135 4.278 -6.175 1.00 5.58 H new ATOM 0 HB ILE A 30 3.030 1.724 -5.041 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.381 3.974 -3.844 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.713 2.503 -4.523 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.041 3.225 -3.198 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.825 3.509 -4.770 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.596 4.648 -4.171 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.649 2.455 -2.094 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.735 1.185 -2.708 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.412 2.679 -2.018 1.00 2.00 H new ATOM 490 N GLN A 31 4.456 2.593 -7.723 1.00 7.06 N ATOM 491 CA GLN A 31 5.588 2.690 -8.591 1.00 8.67 C ATOM 492 C GLN A 31 5.274 3.466 -9.823 1.00 10.90 C ATOM 493 O GLN A 31 6.006 4.365 -10.234 1.00 9.63 O ATOM 494 CB GLN A 31 6.095 1.267 -8.880 1.00 9.12 C ATOM 495 CG GLN A 31 7.408 1.328 -9.662 1.00 10.76 C ATOM 496 CD GLN A 31 8.001 -0.011 -10.078 1.00 13.78 C ATOM 497 OE1 GLN A 31 9.080 -0.349 -9.595 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.328 -0.722 -11.022 1.00 14.76 N ATOM 0 H GLN A 31 4.117 1.633 -7.657 1.00 7.06 H new ATOM 0 HA GLN A 31 6.387 3.251 -8.106 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.244 0.728 -7.944 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.348 0.715 -9.450 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.246 1.925 -10.559 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.144 1.856 -9.056 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.435 -0.380 -11.378 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.716 -1.597 -11.374 1.00 14.76 H new ATOM 507 N ASP A 32 4.186 3.150 -10.548 1.00 10.93 N ATOM 508 CA ASP A 32 3.803 3.981 -11.647 1.00 14.01 C ATOM 509 C ASP A 32 3.531 5.396 -11.268 1.00 14.04 C ATOM 510 O ASP A 32 4.049 6.325 -11.886 1.00 13.39 O ATOM 511 CB ASP A 32 2.572 3.367 -12.334 1.00 18.01 C ATOM 512 CG ASP A 32 2.337 3.904 -13.738 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.257 3.683 -14.571 1.00 25.17 O ATOM 514 OD2 ASP A 32 1.308 4.531 -14.105 1.00 26.29 O ATOM 0 H ASP A 32 3.586 2.342 -10.381 1.00 10.93 H new ATOM 0 HA ASP A 32 4.651 4.017 -12.330 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.693 2.285 -12.382 1.00 18.01 H new ATOM 0 HB3 ASP A 32 1.689 3.562 -11.725 1.00 18.01 H new ATOM 519 N LYS A 33 2.596 5.612 -10.325 1.00 14.22 N ATOM 520 CA LYS A 33 2.286 6.887 -9.756 1.00 14.00 C ATOM 521 C LYS A 33 3.415 7.601 -9.097 1.00 12.37 C ATOM 522 O LYS A 33 4.029 8.542 -9.600 1.00 12.17 O ATOM 523 CB LYS A 33 0.999 6.852 -8.915 1.00 18.62 C ATOM 524 CG LYS A 33 0.380 8.186 -8.493 1.00 24.00 C ATOM 525 CD LYS A 33 -0.137 8.826 -9.783 1.00 27.61 C ATOM 526 CE LYS A 33 -0.447 10.314 -9.607 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.631 11.080 -10.860 1.00 30.06 N ATOM 0 H LYS A 33 2.027 4.858 -9.940 1.00 14.22 H new ATOM 0 HA LYS A 33 2.085 7.522 -10.619 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.247 6.298 -9.478 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.206 6.279 -8.011 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.429 8.034 -7.779 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.118 8.824 -8.007 1.00 24.00 H new ATOM 0 HD2 LYS A 33 0.606 8.702 -10.571 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.037 8.305 -10.109 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.352 10.410 -9.007 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.363 10.771 -9.038 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.836 12.074 -10.632 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.237 11.027 -11.430 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.424 10.678 -11.400 1.00 30.06 H new ATOM 541 N GLU A 34 3.718 7.210 -7.847 1.00 10.11 N ATOM 542 CA GLU A 34 4.639 7.925 -7.018 1.00 10.07 C ATOM 543 C GLU A 34 6.043 7.843 -7.511 1.00 9.32 C ATOM 544 O GLU A 34 6.777 8.785 -7.803 1.00 11.61 O ATOM 545 CB GLU A 34 4.459 7.585 -5.529 1.00 14.77 C ATOM 546 CG GLU A 34 5.249 8.344 -4.461 1.00 18.75 C ATOM 547 CD GLU A 34 5.233 9.865 -4.520 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.084 10.383 -4.531 1.00 25.19 O ATOM 549 OE2 GLU A 34 6.303 10.527 -4.579 1.00 21.95 O ATOM 0 H GLU A 34 3.317 6.383 -7.404 1.00 10.11 H new ATOM 0 HA GLU A 34 4.392 8.984 -7.097 1.00 10.07 H new ATOM 0 HB2 GLU A 34 3.401 7.708 -5.296 1.00 14.77 H new ATOM 0 HB3 GLU A 34 4.691 6.527 -5.410 1.00 14.77 H new ATOM 0 HG2 GLU A 34 4.870 8.042 -3.485 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.287 8.017 -4.515 1.00 18.75 H new ATOM 556 N GLY A 35 6.582 6.622 -7.671 1.00 7.22 N ATOM 557 CA GLY A 35 7.828 6.386 -8.334 1.00 6.29 C ATOM 558 C GLY A 35 8.636 5.396 -7.568 1.00 6.93 C ATOM 559 O GLY A 35 9.836 5.315 -7.824 1.00 7.41 O ATOM 0 H GLY A 35 6.137 5.771 -7.328 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.647 6.017 -9.343 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.380 7.321 -8.431 1.00 6.29 H new ATOM 563 N ILE A 36 7.999 4.700 -6.610 1.00 5.86 N ATOM 564 CA ILE A 36 8.794 3.926 -5.708 1.00 6.07 C ATOM 565 C ILE A 36 8.949 2.511 -6.147 1.00 6.36 C ATOM 566 O ILE A 36 7.910 1.890 -6.363 1.00 6.18 O ATOM 567 CB ILE A 36 8.178 4.122 -4.354 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.124 5.615 -3.988 1.00 8.52 C ATOM 569 CG2 ILE A 36 8.967 3.260 -3.354 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.543 5.807 -2.588 1.00 9.49 C ATOM 0 H ILE A 36 6.990 4.670 -6.462 1.00 5.86 H new ATOM 0 HA ILE A 36 9.831 4.260 -5.680 1.00 6.07 H new ATOM 0 HB ILE A 36 7.138 3.795 -4.337 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.126 6.042 -4.033 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.516 6.151 -4.716 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.543 3.380 -2.357 1.00 7.36 H new ATOM 0 HG22 ILE A 36 8.907 2.213 -3.650 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.010 3.576 -3.345 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.514 6.870 -2.349 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.533 5.399 -2.554 1.00 9.49 H new ATOM 0 HD13 ILE A 36 8.168 5.289 -1.861 1.00 9.49 H new ATOM 582 N PRO A 37 10.105 1.916 -6.133 1.00 8.65 N ATOM 583 CA PRO A 37 10.196 0.534 -6.504 1.00 9.18 C ATOM 584 C PRO A 37 9.695 -0.315 -5.386 1.00 9.85 C ATOM 585 O PRO A 37 9.883 0.059 -4.230 1.00 8.51 O ATOM 586 CB PRO A 37 11.686 0.266 -6.706 1.00 11.42 C ATOM 587 CG PRO A 37 12.365 1.418 -5.948 1.00 9.27 C ATOM 588 CD PRO A 37 11.396 2.586 -6.188 1.00 8.33 C ATOM 0 HA PRO A 37 9.610 0.311 -7.396 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.977 -0.705 -6.305 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.954 0.268 -7.762 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.478 1.195 -4.887 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.361 1.630 -6.337 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.489 3.358 -5.424 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.566 3.068 -7.151 1.00 8.33 H new ATOM 596 N PRO A 38 9.141 -1.471 -5.602 1.00 8.71 N ATOM 597 CA PRO A 38 8.468 -2.234 -4.592 1.00 9.08 C ATOM 598 C PRO A 38 9.432 -2.944 -3.704 1.00 9.28 C ATOM 599 O PRO A 38 8.957 -3.328 -2.637 1.00 6.50 O ATOM 600 CB PRO A 38 7.416 -3.086 -5.299 1.00 10.31 C ATOM 601 CG PRO A 38 8.091 -3.352 -6.654 1.00 10.81 C ATOM 602 CD PRO A 38 8.932 -2.090 -6.902 1.00 12.00 C ATOM 0 HA PRO A 38 7.934 -1.607 -3.878 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.205 -4.009 -4.758 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.469 -2.558 -5.410 1.00 10.31 H new ATOM 0 HG2 PRO A 38 8.713 -4.247 -6.622 1.00 10.81 H new ATOM 0 HG3 PRO A 38 7.355 -3.504 -7.444 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.884 -2.344 -7.368 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.417 -1.408 -7.578 1.00 12.00 H new ATOM 610 N ASP A 39 10.738 -2.974 -4.025 1.00 11.20 N ATOM 611 CA ASP A 39 11.797 -3.350 -3.142 1.00 14.96 C ATOM 612 C ASP A 39 11.929 -2.387 -2.012 1.00 13.99 C ATOM 613 O ASP A 39 12.289 -2.632 -0.862 1.00 13.75 O ATOM 614 CB ASP A 39 13.070 -3.478 -3.995 1.00 24.16 C ATOM 615 CG ASP A 39 13.028 -4.432 -5.180 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.835 -5.641 -4.880 1.00 35.55 O ATOM 617 OD2 ASP A 39 13.214 -3.991 -6.346 1.00 34.22 O ATOM 0 H ASP A 39 11.073 -2.721 -4.955 1.00 11.20 H new ATOM 0 HA ASP A 39 11.594 -4.307 -2.662 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.325 -2.487 -4.370 1.00 24.16 H new ATOM 0 HB3 ASP A 39 13.884 -3.790 -3.340 1.00 24.16 H new ATOM 622 N GLN A 40 11.433 -1.155 -2.218 1.00 11.60 N ATOM 623 CA GLN A 40 11.576 -0.065 -1.303 1.00 10.76 C ATOM 624 C GLN A 40 10.461 0.031 -0.319 1.00 8.01 C ATOM 625 O GLN A 40 10.525 0.551 0.794 1.00 8.96 O ATOM 626 CB GLN A 40 11.782 1.267 -2.044 1.00 11.14 C ATOM 627 CG GLN A 40 12.149 2.511 -1.232 1.00 14.85 C ATOM 628 CD GLN A 40 12.603 3.746 -1.997 1.00 16.11 C ATOM 629 OE1 GLN A 40 11.884 4.744 -2.031 1.00 20.52 O ATOM 630 NE2 GLN A 40 13.896 3.798 -2.417 1.00 18.16 N ATOM 0 H GLN A 40 10.910 -0.907 -3.058 1.00 11.60 H new ATOM 0 HA GLN A 40 12.474 -0.277 -0.723 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.565 1.114 -2.787 1.00 11.14 H new ATOM 0 HB3 GLN A 40 10.864 1.487 -2.589 1.00 11.14 H new ATOM 0 HG2 GLN A 40 11.282 2.788 -0.632 1.00 14.85 H new ATOM 0 HG3 GLN A 40 12.943 2.236 -0.537 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.478 2.961 -2.382 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.284 4.674 -2.767 1.00 18.16 H new ATOM 639 N GLN A 41 9.298 -0.538 -0.685 1.00 6.52 N ATOM 640 CA GLN A 41 8.021 -0.354 -0.069 1.00 3.87 C ATOM 641 C GLN A 41 7.736 -1.308 1.040 1.00 4.79 C ATOM 642 O GLN A 41 7.922 -2.517 0.910 1.00 6.34 O ATOM 643 CB GLN A 41 6.820 -0.380 -1.029 1.00 4.20 C ATOM 644 CG GLN A 41 6.949 0.560 -2.229 1.00 3.20 C ATOM 645 CD GLN A 41 5.734 0.331 -3.116 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.592 0.146 -2.698 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.891 0.593 -4.442 1.00 7.13 N ATOM 0 H GLN A 41 9.249 -1.179 -1.477 1.00 6.52 H new ATOM 0 HA GLN A 41 8.123 0.655 0.330 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.684 -1.398 -1.394 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.920 -0.118 -0.473 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.995 1.598 -1.901 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.869 0.358 -2.778 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.824 0.752 -4.824 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.076 0.631 -5.054 1.00 7.13 H new ATOM 656 N ARG A 42 7.279 -0.801 2.199 1.00 5.73 N ATOM 657 CA ARG A 42 6.546 -1.683 3.053 1.00 6.97 C ATOM 658 C ARG A 42 5.211 -1.051 3.248 1.00 7.15 C ATOM 659 O ARG A 42 5.127 0.149 3.504 1.00 7.33 O ATOM 660 CB ARG A 42 7.302 -1.886 4.377 1.00 13.23 C ATOM 661 CG ARG A 42 8.552 -2.756 4.224 1.00 21.27 C ATOM 662 CD ARG A 42 9.362 -2.766 5.521 1.00 26.14 C ATOM 663 NE ARG A 42 10.623 -3.534 5.316 1.00 32.26 N ATOM 664 CZ ARG A 42 10.666 -4.898 5.286 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.681 -5.763 5.666 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.720 -5.483 4.646 1.00 36.39 N ATOM 0 H ARG A 42 7.404 0.155 2.531 1.00 5.73 H new ATOM 0 HA ARG A 42 6.428 -2.677 2.622 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.589 -0.914 4.778 1.00 13.23 H new ATOM 0 HB3 ARG A 42 6.633 -2.346 5.104 1.00 13.23 H new ATOM 0 HG2 ARG A 42 8.264 -3.774 3.961 1.00 21.27 H new ATOM 0 HG3 ARG A 42 9.167 -2.378 3.407 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.591 -1.745 5.826 1.00 26.14 H new ATOM 0 HD3 ARG A 42 8.777 -3.215 6.324 1.00 26.14 H new ATOM 0 HE ARG A 42 11.493 -3.017 5.193 1.00 32.26 H new ATOM 0 HH11 ARG A 42 8.794 -5.403 6.019 1.00 35.30 H new ATOM 0 HH12 ARG A 42 9.832 -6.769 5.597 1.00 35.30 H new ATOM 0 HH21 ARG A 42 12.439 -4.904 4.212 1.00 36.39 H new ATOM 0 HH22 ARG A 42 11.789 -6.500 4.601 1.00 36.39 H new ATOM 680 N LEU A 43 4.142 -1.820 2.975 1.00 4.65 N ATOM 681 CA LEU A 43 2.778 -1.413 3.116 1.00 3.51 C ATOM 682 C LEU A 43 2.105 -2.046 4.285 1.00 5.56 C ATOM 683 O LEU A 43 2.161 -3.260 4.476 1.00 4.19 O ATOM 684 CB LEU A 43 2.080 -1.695 1.775 1.00 3.74 C ATOM 685 CG LEU A 43 0.696 -1.025 1.770 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.864 0.500 1.880 1.00 6.41 C ATOM 687 CD2 LEU A 43 -0.094 -1.407 0.507 1.00 9.55 C ATOM 0 H LEU A 43 4.235 -2.778 2.637 1.00 4.65 H new ATOM 0 HA LEU A 43 2.721 -0.347 3.338 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.684 -1.315 0.951 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.977 -2.770 1.625 1.00 3.74 H new ATOM 0 HG LEU A 43 0.126 -1.379 2.629 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.117 0.975 1.876 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.382 0.743 2.808 1.00 6.41 H new ATOM 0 HD13 LEU A 43 1.447 0.864 1.034 1.00 6.41 H new ATOM 0 HD21 LEU A 43 -1.069 -0.921 0.527 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.455 -1.083 -0.377 1.00 9.55 H new ATOM 0 HD23 LEU A 43 -0.228 -2.488 0.475 1.00 9.55 H new ATOM 699 N ILE A 44 1.492 -1.232 5.162 1.00 4.58 N ATOM 700 CA ILE A 44 1.033 -1.572 6.473 1.00 5.55 C ATOM 701 C ILE A 44 -0.384 -1.166 6.691 1.00 5.46 C ATOM 702 O ILE A 44 -0.791 -0.115 6.198 1.00 6.04 O ATOM 703 CB ILE A 44 2.005 -1.031 7.479 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.428 -1.480 7.109 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.561 -1.548 8.858 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.534 -1.266 8.142 1.00 13.90 C ATOM 0 H ILE A 44 1.302 -0.256 4.934 1.00 4.58 H new ATOM 0 HA ILE A 44 1.011 -2.655 6.597 1.00 5.55 H new ATOM 0 HB ILE A 44 2.017 0.059 7.495 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.393 -2.543 6.872 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.717 -0.959 6.196 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.243 -1.177 9.623 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.552 -1.196 9.071 1.00 7.39 H new ATOM 0 HG23 ILE A 44 1.573 -2.638 8.859 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.480 -1.630 7.742 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.620 -0.203 8.368 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.291 -1.812 9.054 1.00 13.90 H new ATOM 718 N PHE A 45 -1.322 -1.899 7.316 1.00 6.75 N ATOM 719 CA PHE A 45 -2.558 -1.297 7.710 1.00 4.70 C ATOM 720 C PHE A 45 -2.560 -1.507 9.185 1.00 6.34 C ATOM 721 O PHE A 45 -2.485 -2.666 9.592 1.00 5.45 O ATOM 722 CB PHE A 45 -3.806 -1.916 7.057 1.00 5.51 C ATOM 723 CG PHE A 45 -5.054 -1.285 7.571 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.206 0.082 7.549 1.00 6.86 C ATOM 725 CD2 PHE A 45 -6.024 -2.070 8.147 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.318 0.738 8.023 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.184 -1.446 8.543 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.360 -0.096 8.350 1.00 6.84 C ATOM 0 H PHE A 45 -1.229 -2.889 7.545 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.614 -0.255 7.396 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.752 -1.793 5.975 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.829 -2.988 7.255 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.404 0.675 7.135 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.881 -3.132 8.283 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.368 1.812 8.129 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -7.967 -2.024 9.012 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.350 0.323 8.459 1.00 6.84 H new ATOM 738 N ALA A 46 -2.649 -0.417 9.967 1.00 6.53 N ATOM 739 CA ALA A 46 -2.568 -0.371 11.394 1.00 7.15 C ATOM 740 C ALA A 46 -1.213 -0.748 11.884 1.00 9.00 C ATOM 741 O ALA A 46 -0.344 0.072 12.178 1.00 11.15 O ATOM 742 CB ALA A 46 -3.702 -1.120 12.115 1.00 8.99 C ATOM 0 H ALA A 46 -2.790 0.510 9.565 1.00 6.53 H new ATOM 0 HA ALA A 46 -2.725 0.673 11.665 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.566 -1.036 13.193 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -4.661 -0.684 11.835 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -3.684 -2.171 11.828 1.00 8.99 H new ATOM 748 N GLY A 47 -0.957 -2.058 12.056 1.00 9.35 N ATOM 749 CA GLY A 47 0.359 -2.531 12.351 1.00 11.68 C ATOM 750 C GLY A 47 0.547 -3.889 11.767 1.00 11.14 C ATOM 751 O GLY A 47 1.513 -4.573 12.102 1.00 13.93 O ATOM 0 H GLY A 47 -1.664 -2.790 11.990 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.102 -1.844 11.946 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.511 -2.564 13.430 1.00 11.68 H new ATOM 755 N LYS A 48 -0.250 -4.216 10.734 1.00 10.47 N ATOM 756 CA LYS A 48 -0.114 -5.342 9.863 1.00 8.82 C ATOM 757 C LYS A 48 0.620 -5.050 8.600 1.00 7.68 C ATOM 758 O LYS A 48 0.005 -4.420 7.742 1.00 6.47 O ATOM 759 CB LYS A 48 -1.502 -5.941 9.579 1.00 9.74 C ATOM 760 CG LYS A 48 -1.593 -7.145 8.640 1.00 14.14 C ATOM 761 CD LYS A 48 -1.013 -8.517 8.990 1.00 16.32 C ATOM 762 CE LYS A 48 -1.581 -9.093 10.289 1.00 20.04 C ATOM 763 NZ LYS A 48 -1.254 -10.524 10.482 1.00 23.92 N ATOM 0 H LYS A 48 -1.057 -3.643 10.489 1.00 10.47 H new ATOM 0 HA LYS A 48 0.506 -6.072 10.383 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.941 -6.230 10.534 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -2.128 -5.150 9.167 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -2.652 -7.299 8.436 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.128 -6.842 7.702 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -1.215 -9.210 8.173 1.00 16.32 H new ATOM 0 HD3 LYS A 48 0.070 -8.435 9.078 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.194 -8.521 11.133 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.664 -8.971 10.291 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -1.665 -10.856 11.377 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -1.645 -11.079 9.694 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -0.221 -10.643 10.510 1.00 23.92 H new ATOM 777 N GLN A 49 1.784 -5.685 8.369 1.00 8.89 N ATOM 778 CA GLN A 49 2.410 -5.610 7.086 1.00 7.18 C ATOM 779 C GLN A 49 1.780 -6.319 5.937 1.00 8.23 C ATOM 780 O GLN A 49 1.557 -7.528 5.938 1.00 9.70 O ATOM 781 CB GLN A 49 3.870 -6.028 7.327 1.00 11.67 C ATOM 782 CG GLN A 49 4.833 -5.665 6.194 1.00 15.82 C ATOM 783 CD GLN A 49 6.282 -6.038 6.470 1.00 20.21 C ATOM 784 OE1 GLN A 49 7.117 -5.157 6.669 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.574 -7.366 6.427 1.00 20.67 N ATOM 0 H GLN A 49 2.285 -6.243 9.060 1.00 8.89 H new ATOM 0 HA GLN A 49 2.297 -4.588 6.725 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.220 -5.561 8.247 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.904 -7.106 7.484 1.00 11.67 H new ATOM 0 HG2 GLN A 49 4.508 -6.164 5.281 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.773 -4.592 6.010 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.833 -8.046 6.257 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.534 -7.682 6.564 1.00 20.67 H new ATOM 794 N LEU A 50 1.373 -5.615 4.866 1.00 6.51 N ATOM 795 CA LEU A 50 0.546 -6.308 3.927 1.00 7.41 C ATOM 796 C LEU A 50 1.240 -7.064 2.847 1.00 8.27 C ATOM 797 O LEU A 50 2.159 -6.480 2.276 1.00 8.34 O ATOM 798 CB LEU A 50 -0.404 -5.302 3.255 1.00 7.13 C ATOM 799 CG LEU A 50 -1.261 -4.449 4.204 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.944 -3.479 3.226 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.229 -5.227 5.112 1.00 8.14 C ATOM 0 H LEU A 50 1.594 -4.641 4.657 1.00 6.51 H new ATOM 0 HA LEU A 50 0.037 -7.061 4.530 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.189 -4.633 2.632 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.070 -5.850 2.589 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.665 -3.953 4.970 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.595 -2.803 3.780 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -1.186 -2.901 2.698 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.536 -4.045 2.506 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.782 -4.527 5.739 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.928 -5.794 4.497 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.664 -5.912 5.744 1.00 8.14 H new ATOM 813 N GLU A 51 0.869 -8.313 2.514 1.00 9.43 N ATOM 814 CA GLU A 51 1.547 -9.186 1.606 1.00 11.90 C ATOM 815 C GLU A 51 0.919 -9.324 0.262 1.00 11.49 C ATOM 816 O GLU A 51 -0.297 -9.441 0.122 1.00 9.88 O ATOM 817 CB GLU A 51 1.785 -10.547 2.282 1.00 16.56 C ATOM 818 CG GLU A 51 2.558 -10.485 3.600 1.00 26.06 C ATOM 819 CD GLU A 51 2.628 -11.879 4.208 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.196 -12.760 3.509 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.151 -12.110 5.351 1.00 32.13 O ATOM 0 H GLU A 51 0.033 -8.744 2.909 1.00 9.43 H new ATOM 0 HA GLU A 51 2.503 -8.712 1.384 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.820 -11.019 2.466 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.328 -11.190 1.589 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.563 -10.100 3.428 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.068 -9.799 4.291 1.00 26.06 H new ATOM 828 N ASP A 52 1.833 -9.428 -0.719 1.00 12.71 N ATOM 829 CA ASP A 52 1.688 -9.228 -2.128 1.00 16.56 C ATOM 830 C ASP A 52 0.582 -9.915 -2.851 1.00 15.83 C ATOM 831 O ASP A 52 -0.100 -9.250 -3.629 1.00 17.21 O ATOM 832 CB ASP A 52 3.057 -9.542 -2.756 1.00 21.05 C ATOM 833 CG ASP A 52 4.133 -8.643 -2.163 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.764 -8.987 -1.129 1.00 25.82 O ATOM 835 OD2 ASP A 52 4.340 -7.557 -2.767 1.00 28.37 O ATOM 0 H ASP A 52 2.793 -9.685 -0.491 1.00 12.71 H new ATOM 0 HA ASP A 52 1.368 -8.193 -2.245 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.312 -10.588 -2.583 1.00 21.05 H new ATOM 0 HB3 ASP A 52 3.010 -9.400 -3.836 1.00 21.05 H new ATOM 840 N GLY A 53 0.240 -11.169 -2.504 1.00 15.00 N ATOM 841 CA GLY A 53 -0.795 -11.866 -3.202 1.00 11.77 C ATOM 842 C GLY A 53 -1.972 -12.116 -2.324 1.00 11.10 C ATOM 843 O GLY A 53 -2.548 -13.186 -2.512 1.00 11.25 O ATOM 0 H GLY A 53 0.676 -11.696 -1.747 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.105 -11.285 -4.071 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.409 -12.815 -3.574 1.00 11.77 H new ATOM 847 N ARG A 54 -2.372 -11.242 -1.383 1.00 8.53 N ATOM 848 CA ARG A 54 -3.637 -11.306 -0.718 1.00 9.05 C ATOM 849 C ARG A 54 -4.421 -10.136 -1.205 1.00 8.96 C ATOM 850 O ARG A 54 -3.836 -9.123 -1.584 1.00 11.60 O ATOM 851 CB ARG A 54 -3.392 -11.248 0.799 1.00 7.97 C ATOM 852 CG ARG A 54 -2.485 -12.309 1.426 1.00 9.62 C ATOM 853 CD ARG A 54 -2.786 -13.777 1.118 1.00 12.20 C ATOM 854 NE ARG A 54 -4.260 -13.903 1.296 1.00 18.23 N ATOM 855 CZ ARG A 54 -4.800 -15.111 0.958 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.123 -16.047 0.230 1.00 23.38 N ATOM 857 NH2 ARG A 54 -6.052 -15.400 1.418 1.00 25.50 N ATOM 0 H ARG A 54 -1.793 -10.461 -1.074 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.185 -12.225 -0.924 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -2.970 -10.270 1.031 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.361 -11.303 1.295 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -1.462 -12.104 1.111 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.517 -12.180 2.508 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.485 -14.039 0.104 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.247 -14.442 1.792 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.830 -13.134 1.649 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.172 -15.857 -0.086 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.568 -16.936 0.002 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -6.552 -14.723 1.994 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -6.487 -16.293 1.186 1.00 25.50 H new ATOM 871 N THR A 55 -5.765 -10.180 -1.202 1.00 9.05 N ATOM 872 CA THR A 55 -6.682 -9.198 -1.691 1.00 9.03 C ATOM 873 C THR A 55 -6.909 -8.223 -0.588 1.00 8.15 C ATOM 874 O THR A 55 -6.578 -8.439 0.577 1.00 5.91 O ATOM 875 CB THR A 55 -7.950 -9.622 -2.373 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.965 -10.065 -1.484 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.657 -10.652 -3.477 1.00 11.71 C ATOM 0 H THR A 55 -6.257 -10.987 -0.817 1.00 9.05 H new ATOM 0 HA THR A 55 -6.189 -8.762 -2.560 1.00 9.03 H new ATOM 0 HB THR A 55 -8.361 -8.726 -2.838 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.695 -10.470 -1.997 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.590 -10.945 -3.958 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.990 -10.211 -4.218 1.00 11.71 H new ATOM 0 HG23 THR A 55 -7.183 -11.530 -3.039 1.00 11.71 H new ATOM 885 N LEU A 56 -7.430 -7.026 -0.913 1.00 6.91 N ATOM 886 CA LEU A 56 -7.895 -6.124 0.094 1.00 8.29 C ATOM 887 C LEU A 56 -9.111 -6.565 0.834 1.00 8.05 C ATOM 888 O LEU A 56 -9.313 -6.286 2.015 1.00 10.17 O ATOM 889 CB LEU A 56 -8.051 -4.736 -0.550 1.00 6.60 C ATOM 890 CG LEU A 56 -6.738 -4.257 -1.191 1.00 7.73 C ATOM 891 CD1 LEU A 56 -7.073 -3.005 -2.018 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.680 -3.931 -0.122 1.00 9.85 C ATOM 0 H LEU A 56 -7.529 -6.684 -1.869 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.147 -6.093 0.886 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.834 -4.772 -1.307 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.371 -4.018 0.205 1.00 6.60 H new ATOM 0 HG LEU A 56 -6.316 -5.041 -1.820 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -6.167 -2.629 -2.493 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.805 -3.260 -2.784 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.485 -2.237 -1.364 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.764 -3.595 -0.607 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.054 -3.143 0.532 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.472 -4.824 0.468 1.00 9.85 H new ATOM 904 N SER A 57 -9.994 -7.295 0.129 1.00 8.92 N ATOM 905 CA SER A 57 -11.099 -8.052 0.629 1.00 9.00 C ATOM 906 C SER A 57 -10.682 -9.123 1.578 1.00 9.44 C ATOM 907 O SER A 57 -11.307 -9.264 2.627 1.00 10.91 O ATOM 908 CB SER A 57 -11.934 -8.552 -0.562 1.00 10.32 C ATOM 909 OG SER A 57 -13.030 -9.276 -0.022 1.00 13.59 O ATOM 0 H SER A 57 -9.925 -7.360 -0.887 1.00 8.92 H new ATOM 0 HA SER A 57 -11.736 -7.410 1.238 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.284 -7.715 -1.167 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.335 -9.188 -1.214 1.00 10.32 H new ATOM 0 HG SER A 57 -13.591 -9.612 -0.752 1.00 13.59 H new ATOM 915 N ASP A 58 -9.584 -9.873 1.374 1.00 9.11 N ATOM 916 CA ASP A 58 -8.984 -10.764 2.317 1.00 7.91 C ATOM 917 C ASP A 58 -8.531 -10.141 3.593 1.00 9.12 C ATOM 918 O ASP A 58 -8.983 -10.643 4.620 1.00 8.61 O ATOM 919 CB ASP A 58 -7.818 -11.389 1.535 1.00 8.41 C ATOM 920 CG ASP A 58 -7.401 -12.702 2.183 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.154 -13.711 2.228 1.00 10.05 O ATOM 922 OD2 ASP A 58 -6.219 -12.744 2.619 1.00 11.70 O ATOM 0 H ASP A 58 -9.081 -9.854 0.487 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.717 -11.488 2.673 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.115 -11.563 0.501 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.973 -10.700 1.513 1.00 8.41 H new ATOM 927 N TYR A 59 -7.789 -9.020 3.552 1.00 7.97 N ATOM 928 CA TYR A 59 -7.295 -8.330 4.702 1.00 8.45 C ATOM 929 C TYR A 59 -8.274 -7.408 5.345 1.00 10.98 C ATOM 930 O TYR A 59 -7.900 -6.666 6.252 1.00 12.95 O ATOM 931 CB TYR A 59 -6.185 -7.437 4.122 1.00 7.94 C ATOM 932 CG TYR A 59 -4.841 -8.068 4.001 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.328 -8.588 5.166 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.081 -8.055 2.855 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.045 -9.082 5.158 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.778 -8.493 2.873 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.281 -9.078 4.014 1.00 6.76 C ATOM 938 OH TYR A 59 -0.960 -9.567 4.100 1.00 7.63 O ATOM 0 H TYR A 59 -7.521 -8.574 2.675 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.010 -9.057 5.463 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.497 -7.098 3.134 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.094 -6.550 4.749 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -4.921 -8.608 6.069 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.512 -7.697 1.932 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -2.628 -9.482 6.070 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.152 -8.379 2.001 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.929 -10.487 3.764 1.00 7.63 H new ATOM 948 N ASN A 60 -9.528 -7.387 4.861 1.00 12.38 N ATOM 949 CA ASN A 60 -10.526 -6.490 5.356 1.00 13.94 C ATOM 950 C ASN A 60 -10.187 -5.045 5.226 1.00 14.16 C ATOM 951 O ASN A 60 -10.715 -4.314 6.062 1.00 14.26 O ATOM 952 CB ASN A 60 -10.934 -6.798 6.807 1.00 19.23 C ATOM 953 CG ASN A 60 -11.390 -8.248 6.886 1.00 22.65 C ATOM 954 OD1 ASN A 60 -10.734 -9.242 7.193 1.00 25.45 O ATOM 955 ND2 ASN A 60 -12.695 -8.445 6.559 1.00 24.09 N ATOM 0 H ASN A 60 -9.855 -8.001 4.115 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.376 -6.674 4.699 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -10.094 -6.629 7.480 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -11.736 -6.131 7.124 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.088 -9.386 6.575 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.281 -7.652 6.297 1.00 24.09 H new ATOM 962 N ILE A 61 -9.386 -4.539 4.271 1.00 11.08 N ATOM 963 CA ILE A 61 -9.266 -3.149 3.957 1.00 11.78 C ATOM 964 C ILE A 61 -10.433 -2.652 3.175 1.00 13.74 C ATOM 965 O ILE A 61 -10.820 -3.267 2.183 1.00 14.60 O ATOM 966 CB ILE A 61 -7.929 -2.935 3.309 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.816 -3.042 4.365 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.724 -1.637 2.510 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.595 -3.734 3.761 1.00 11.42 C ATOM 0 H ILE A 61 -8.792 -5.130 3.689 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.295 -2.541 4.861 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.887 -3.726 2.560 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.543 -2.049 4.721 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.174 -3.603 5.228 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.714 -1.618 2.100 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.448 -1.593 1.696 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.865 -0.779 3.167 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.809 -3.807 4.513 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.872 -4.734 3.427 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.232 -3.155 2.912 1.00 11.42 H new ATOM 981 N GLN A 62 -11.066 -1.571 3.666 1.00 13.97 N ATOM 982 CA GLN A 62 -12.187 -0.937 3.046 1.00 15.52 C ATOM 983 C GLN A 62 -11.907 0.329 2.311 1.00 13.94 C ATOM 984 O GLN A 62 -10.795 0.836 2.169 1.00 12.15 O ATOM 985 CB GLN A 62 -13.204 -0.774 4.189 1.00 19.53 C ATOM 986 CG GLN A 62 -13.561 -2.060 4.937 1.00 26.38 C ATOM 987 CD GLN A 62 -13.895 -3.214 4.003 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.512 -3.092 2.945 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.346 -4.385 4.422 1.00 32.71 N ATOM 0 H GLN A 62 -10.783 -1.119 4.535 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.560 -1.551 2.226 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.808 -0.055 4.906 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.119 -0.345 3.780 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -12.726 -2.346 5.576 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -14.412 -1.870 5.591 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.845 -4.425 5.310 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -13.435 -5.224 3.849 1.00 32.71 H new ATOM 998 N LYS A 63 -13.011 0.873 1.769 1.00 11.73 N ATOM 999 CA LYS A 63 -13.002 2.092 1.021 1.00 11.97 C ATOM 1000 C LYS A 63 -12.936 3.262 1.942 1.00 10.41 C ATOM 1001 O LYS A 63 -13.708 3.365 2.894 1.00 9.59 O ATOM 1002 CB LYS A 63 -14.190 2.133 0.044 1.00 13.73 C ATOM 1003 CG LYS A 63 -15.568 2.005 0.696 1.00 16.98 C ATOM 1004 CD LYS A 63 -16.583 2.117 -0.444 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.933 2.260 0.261 1.00 23.42 C ATOM 1006 NZ LYS A 63 -19.019 2.363 -0.740 1.00 25.97 N ATOM 0 H LYS A 63 -13.937 0.453 1.853 1.00 11.73 H new ATOM 0 HA LYS A 63 -12.105 2.142 0.403 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -14.153 3.071 -0.511 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -14.072 1.328 -0.682 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.667 1.052 1.215 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -15.724 2.789 1.437 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -16.373 2.977 -1.079 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.560 1.235 -1.084 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -18.106 1.402 0.910 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.928 3.145 0.897 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -19.933 2.460 -0.252 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -18.858 3.195 -1.342 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -19.030 1.506 -1.329 1.00 25.97 H new ATOM 1020 N GLU A 64 -12.093 4.259 1.617 1.00 10.04 N ATOM 1021 CA GLU A 64 -11.827 5.440 2.378 1.00 10.94 C ATOM 1022 C GLU A 64 -10.969 5.298 3.588 1.00 9.74 C ATOM 1023 O GLU A 64 -11.125 5.937 4.627 1.00 9.42 O ATOM 1024 CB GLU A 64 -13.075 6.283 2.690 1.00 18.31 C ATOM 1025 CG GLU A 64 -12.934 7.801 2.821 1.00 24.16 C ATOM 1026 CD GLU A 64 -14.320 8.421 2.925 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -14.799 8.520 4.086 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -14.897 8.784 1.865 1.00 32.61 O ATOM 0 H GLU A 64 -11.555 4.235 0.751 1.00 10.04 H new ATOM 0 HA GLU A 64 -11.207 5.988 1.669 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -13.808 6.087 1.907 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -13.498 5.911 3.623 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -12.343 8.049 3.703 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.404 8.206 1.958 1.00 24.16 H new ATOM 1035 N SER A 65 -10.036 4.331 3.540 1.00 6.85 N ATOM 1036 CA SER A 65 -9.179 3.992 4.633 1.00 6.90 C ATOM 1037 C SER A 65 -7.765 4.327 4.305 1.00 4.72 C ATOM 1038 O SER A 65 -7.423 4.599 3.155 1.00 3.91 O ATOM 1039 CB SER A 65 -9.256 2.471 4.849 1.00 7.28 C ATOM 1040 OG SER A 65 -8.991 2.064 6.184 1.00 10.56 O ATOM 0 H SER A 65 -9.872 3.764 2.708 1.00 6.85 H new ATOM 0 HA SER A 65 -9.493 4.545 5.518 1.00 6.90 H new ATOM 0 HB2 SER A 65 -10.249 2.124 4.564 1.00 7.28 H new ATOM 0 HB3 SER A 65 -8.544 1.983 4.183 1.00 7.28 H new ATOM 0 HG SER A 65 -8.063 1.756 6.254 1.00 10.56 H new ATOM 1046 N THR A 66 -6.916 4.460 5.339 1.00 4.48 N ATOM 1047 CA THR A 66 -5.557 4.905 5.316 1.00 3.80 C ATOM 1048 C THR A 66 -4.565 3.827 5.587 1.00 4.60 C ATOM 1049 O THR A 66 -4.552 3.196 6.643 1.00 5.33 O ATOM 1050 CB THR A 66 -5.350 6.055 6.257 1.00 2.85 C ATOM 1051 OG1 THR A 66 -6.257 7.102 5.944 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.891 6.536 6.191 1.00 3.40 C ATOM 0 H THR A 66 -7.214 4.232 6.287 1.00 4.48 H new ATOM 0 HA THR A 66 -5.376 5.237 4.294 1.00 3.80 H new ATOM 0 HB THR A 66 -5.548 5.730 7.278 1.00 2.85 H new ATOM 0 HG1 THR A 66 -6.119 7.850 6.562 1.00 2.15 H new ATOM 0 HG21 THR A 66 -3.752 7.371 6.878 1.00 3.40 H new ATOM 0 HG22 THR A 66 -3.226 5.720 6.472 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.660 6.859 5.176 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.782 3.593 4.519 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.627 2.751 4.550 1.00 3.85 C ATOM 1062 C LEU A 67 -1.372 3.472 4.906 1.00 3.80 C ATOM 1063 O LEU A 67 -1.173 4.670 4.715 1.00 5.54 O ATOM 1064 CB LEU A 67 -2.435 2.057 3.192 1.00 7.18 C ATOM 1065 CG LEU A 67 -3.621 1.139 2.849 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.463 0.599 1.418 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.749 0.028 3.905 1.00 8.12 C ATOM 0 H LEU A 67 -3.959 4.004 3.602 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.814 2.019 5.335 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -2.320 2.810 2.412 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -1.515 1.472 3.209 1.00 7.18 H new ATOM 0 HG LEU A 67 -4.554 1.702 2.874 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.305 -0.051 1.179 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.437 1.432 0.716 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -2.535 0.032 1.343 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.591 -0.617 3.654 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.833 -0.562 3.925 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -3.914 0.475 4.885 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.433 2.650 5.408 1.00 2.94 N ATOM 1080 CA HIS A 68 0.780 3.253 5.864 1.00 4.17 C ATOM 1081 C HIS A 68 1.891 2.745 5.011 1.00 5.32 C ATOM 1082 O HIS A 68 2.281 1.578 5.017 1.00 7.70 O ATOM 1083 CB HIS A 68 0.962 2.948 7.361 1.00 5.57 C ATOM 1084 CG HIS A 68 0.284 3.883 8.318 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.145 3.603 9.663 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.382 5.034 8.034 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.616 4.605 10.179 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.970 5.435 9.216 1.00 16.30 N ATOM 0 H HIS A 68 -0.501 1.636 5.496 1.00 2.94 H new ATOM 0 HA HIS A 68 0.763 4.339 5.772 1.00 4.17 H new ATOM 0 HB2 HIS A 68 0.596 1.939 7.551 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.029 2.947 7.582 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.439 5.533 7.078 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.889 4.706 11.219 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.581 6.244 9.328 1.00 16.30 H new ATOM 1096 N LEU A 69 2.471 3.591 4.141 1.00 5.29 N ATOM 1097 CA LEU A 69 3.555 3.267 3.267 1.00 3.97 C ATOM 1098 C LEU A 69 4.766 3.574 4.079 1.00 5.07 C ATOM 1099 O LEU A 69 4.984 4.724 4.457 1.00 4.34 O ATOM 1100 CB LEU A 69 3.546 3.988 1.908 1.00 6.08 C ATOM 1101 CG LEU A 69 4.502 3.369 0.875 1.00 7.37 C ATOM 1102 CD1 LEU A 69 3.806 2.146 0.254 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.819 4.438 -0.184 1.00 6.87 C ATOM 0 H LEU A 69 2.164 4.559 4.043 1.00 5.29 H new ATOM 0 HA LEU A 69 3.499 2.225 2.952 1.00 3.97 H new ATOM 0 HB2 LEU A 69 2.533 3.975 1.506 1.00 6.08 H new ATOM 0 HB3 LEU A 69 3.816 5.033 2.059 1.00 6.08 H new ATOM 0 HG LEU A 69 5.438 3.043 1.328 1.00 7.37 H new ATOM 0 HD11 LEU A 69 4.465 1.688 -0.484 1.00 9.96 H new ATOM 0 HD12 LEU A 69 3.577 1.422 1.036 1.00 9.96 H new ATOM 0 HD13 LEU A 69 2.882 2.461 -0.231 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.497 4.022 -0.929 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.896 4.754 -0.670 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.289 5.297 0.295 1.00 6.87 H new ATOM 1115 N VAL A 70 5.616 2.608 4.469 1.00 4.29 N ATOM 1116 CA VAL A 70 6.791 2.769 5.267 1.00 6.26 C ATOM 1117 C VAL A 70 7.973 2.428 4.426 1.00 9.22 C ATOM 1118 O VAL A 70 7.869 1.526 3.596 1.00 9.36 O ATOM 1119 CB VAL A 70 6.680 1.845 6.443 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.967 1.823 7.284 1.00 9.76 C ATOM 1121 CG2 VAL A 70 5.627 2.385 7.425 1.00 8.54 C ATOM 0 H VAL A 70 5.467 1.634 4.203 1.00 4.29 H new ATOM 0 HA VAL A 70 6.901 3.791 5.628 1.00 6.26 H new ATOM 0 HB VAL A 70 6.447 0.864 6.030 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.841 1.141 8.125 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.800 1.487 6.666 1.00 9.76 H new ATOM 0 HG13 VAL A 70 8.174 2.825 7.658 1.00 9.76 H new ATOM 0 HG21 VAL A 70 5.547 1.713 8.279 1.00 8.54 H new ATOM 0 HG22 VAL A 70 5.925 3.375 7.769 1.00 8.54 H new ATOM 0 HG23 VAL A 70 4.661 2.450 6.923 1.00 8.54 H new ATOM 1131 N LEU A 71 8.994 3.303 4.459 1.00 12.71 N ATOM 1132 CA LEU A 71 10.047 3.279 3.492 1.00 16.06 C ATOM 1133 C LEU A 71 11.276 2.881 4.233 1.00 18.09 C ATOM 1134 O LEU A 71 11.419 2.987 5.450 1.00 19.26 O ATOM 1135 CB LEU A 71 10.458 4.604 2.828 1.00 17.10 C ATOM 1136 CG LEU A 71 9.358 5.227 1.952 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.053 6.216 1.001 1.00 19.57 C ATOM 1138 CD2 LEU A 71 8.595 4.175 1.129 1.00 17.51 C ATOM 0 H LEU A 71 9.090 4.034 5.163 1.00 12.71 H new ATOM 0 HA LEU A 71 9.668 2.629 2.703 1.00 16.06 H new ATOM 0 HB2 LEU A 71 10.739 5.316 3.604 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.344 4.433 2.216 1.00 17.10 H new ATOM 0 HG LEU A 71 8.623 5.716 2.592 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.309 6.685 0.357 1.00 19.57 H new ATOM 0 HD12 LEU A 71 10.564 6.983 1.583 1.00 19.57 H new ATOM 0 HD13 LEU A 71 10.779 5.682 0.388 1.00 19.57 H new ATOM 0 HD21 LEU A 71 7.830 4.667 0.529 1.00 17.51 H new ATOM 0 HD22 LEU A 71 9.291 3.652 0.473 1.00 17.51 H new ATOM 0 HD23 LEU A 71 8.123 3.459 1.802 1.00 17.51 H new