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 55 THR OG1 : rot 127:sc= -0.0584 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.108 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.35 USER MOD Set 2.2: A 9 THR OG1 : rot -14:sc= 0.244 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 175:sc= 1.11 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 139:sc= 0.845 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.0597 (180deg=-0.98) USER MOD Single : A 1 MET N :NH3+ 179:sc= 1.34 (180deg=1.3) USER MOD Single : A 2 GLN : amide:sc=-0.00559 X(o=-0.0056,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 2.5 (180deg=1.7) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.18) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0942 X(o=-0.094,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.526 K(o=0.53,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.000411 X(o=-0.00041,f=-0.49) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.102 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0758 X(o=-0.076,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0339) USER MOD Single : A 65 SER OG : rot -180:sc= 0.0372 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.00276 X(o=0.0028,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.876 -6.784 -5.063 1.00 9.67 N ATOM 2 CA MET A 1 11.641 -7.245 -3.668 1.00 10.38 C ATOM 3 C MET A 1 10.299 -7.699 -3.372 1.00 9.62 C ATOM 4 O MET A 1 9.348 -7.404 -4.097 1.00 9.62 O ATOM 5 CB MET A 1 12.036 -6.172 -2.577 1.00 13.77 C ATOM 6 CG MET A 1 11.211 -4.820 -2.453 1.00 16.29 C ATOM 7 SD MET A 1 11.963 -3.714 -1.165 1.00 17.17 S ATOM 8 CE MET A 1 10.663 -2.514 -1.391 1.00 16.11 C ATOM 0 H1 MET A 1 12.861 -6.466 -5.162 1.00 9.67 H new ATOM 0 H2 MET A 1 11.697 -7.568 -5.722 1.00 9.67 H new ATOM 0 H3 MET A 1 11.234 -5.995 -5.281 1.00 9.67 H new ATOM 0 HA MET A 1 12.305 -8.108 -3.613 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.994 -6.667 -1.607 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.077 -5.901 -2.752 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.194 -4.308 -3.415 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.176 -5.041 -2.191 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.022 -1.528 -1.096 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.365 -2.493 -2.439 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.805 -2.786 -0.776 1.00 16.11 H new ATOM 20 N GLN A 2 10.062 -8.516 -2.316 1.00 9.27 N ATOM 21 CA GLN A 2 8.702 -8.837 -1.856 1.00 9.07 C ATOM 22 C GLN A 2 8.277 -8.214 -0.516 1.00 8.72 C ATOM 23 O GLN A 2 9.049 -8.247 0.463 1.00 8.22 O ATOM 24 CB GLN A 2 8.545 -10.424 -1.830 1.00 14.46 C ATOM 25 CG GLN A 2 8.465 -11.099 -3.200 1.00 17.01 C ATOM 26 CD GLN A 2 8.285 -12.630 -3.104 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.264 -13.230 -3.441 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.335 -13.220 -2.456 1.00 19.49 N ATOM 0 H GLN A 2 10.801 -8.961 -1.771 1.00 9.27 H new ATOM 0 HA GLN A 2 8.020 -8.376 -2.570 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.389 -10.846 -1.285 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.645 -10.674 -1.268 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.632 -10.674 -3.761 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.373 -10.879 -3.762 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.154 -12.667 -2.204 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.299 -14.213 -2.225 1.00 19.49 H new ATOM 37 N ILE A 3 7.067 -7.595 -0.421 1.00 5.87 N ATOM 38 CA ILE A 3 6.559 -6.958 0.775 1.00 5.07 C ATOM 39 C ILE A 3 5.232 -7.554 1.125 1.00 4.01 C ATOM 40 O ILE A 3 4.566 -8.323 0.368 1.00 4.61 O ATOM 41 CB ILE A 3 6.302 -5.472 0.593 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.388 -5.151 -0.611 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.637 -4.721 0.631 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.927 -3.655 -0.722 1.00 10.83 C ATOM 0 H ILE A 3 6.420 -7.537 -1.208 1.00 5.87 H new ATOM 0 HA ILE A 3 7.318 -7.109 1.542 1.00 5.07 H new ATOM 0 HB ILE A 3 5.710 -5.102 1.430 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.913 -5.421 -1.527 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.502 -5.784 -0.553 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.458 -3.654 0.501 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.124 -4.893 1.591 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.280 -5.082 -0.172 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.291 -3.534 -1.599 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.369 -3.379 0.172 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.801 -3.011 -0.817 1.00 10.83 H new ATOM 56 N PHE A 4 4.860 -7.337 2.389 1.00 4.55 N ATOM 57 CA PHE A 4 3.596 -7.811 2.916 1.00 4.68 C ATOM 58 C PHE A 4 2.620 -6.757 3.236 1.00 5.30 C ATOM 59 O PHE A 4 2.991 -5.660 3.609 1.00 5.58 O ATOM 60 CB PHE A 4 3.711 -8.698 4.141 1.00 4.83 C ATOM 61 CG PHE A 4 4.823 -9.719 4.032 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.962 -10.654 2.968 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.728 -9.823 5.127 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.020 -11.571 3.049 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.807 -10.679 5.109 1.00 10.61 C ATOM 66 CZ PHE A 4 7.011 -11.536 4.020 1.00 8.90 C ATOM 0 H PHE A 4 5.430 -6.829 3.066 1.00 4.55 H new ATOM 0 HA PHE A 4 3.232 -8.396 2.072 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.883 -8.075 5.019 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.765 -9.216 4.298 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.279 -10.657 2.131 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.563 -9.210 6.001 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.067 -12.355 2.308 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.499 -10.689 5.938 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.901 -12.143 3.939 1.00 8.90 H new ATOM 76 N VAL A 5 1.322 -6.948 3.135 1.00 4.44 N ATOM 77 CA VAL A 5 0.328 -5.982 3.431 1.00 3.87 C ATOM 78 C VAL A 5 -0.691 -6.762 4.306 1.00 4.93 C ATOM 79 O VAL A 5 -0.981 -7.930 4.014 1.00 6.84 O ATOM 80 CB VAL A 5 -0.404 -5.456 2.149 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.776 -4.718 2.460 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.535 -4.435 1.430 1.00 9.13 C ATOM 0 H VAL A 5 0.928 -7.836 2.826 1.00 4.44 H new ATOM 0 HA VAL A 5 0.764 -5.105 3.910 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.631 -6.326 1.533 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.227 -4.381 1.527 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.454 -5.408 2.963 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.589 -3.859 3.104 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.043 -4.057 0.534 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.753 -3.605 2.102 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.465 -4.930 1.152 1.00 9.13 H new ATOM 92 N LYS A 6 -1.251 -6.210 5.371 1.00 6.04 N ATOM 93 CA LYS A 6 -2.374 -6.709 6.090 1.00 6.12 C ATOM 94 C LYS A 6 -3.491 -5.707 6.046 1.00 6.57 C ATOM 95 O LYS A 6 -3.274 -4.515 6.175 1.00 5.76 O ATOM 96 CB LYS A 6 -2.054 -7.014 7.572 1.00 7.45 C ATOM 97 CG LYS A 6 -1.166 -8.262 7.840 1.00 11.12 C ATOM 98 CD LYS A 6 -0.720 -8.379 9.321 1.00 14.54 C ATOM 99 CE LYS A 6 0.337 -9.482 9.521 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.202 -10.859 9.379 1.00 20.55 N ATOM 0 H LYS A 6 -0.895 -5.341 5.770 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.660 -7.643 5.607 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.559 -6.143 8.002 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.995 -7.142 8.106 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.716 -9.160 7.560 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.283 -8.217 7.202 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.314 -7.424 9.654 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.588 -8.591 9.945 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.140 -9.339 8.797 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.778 -9.375 10.512 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.577 -11.545 9.442 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.888 -11.043 10.139 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.673 -10.954 8.457 1.00 20.55 H new ATOM 114 N THR A 7 -4.756 -6.186 5.798 1.00 7.41 N ATOM 115 CA THR A 7 -5.955 -5.421 5.555 1.00 7.48 C ATOM 116 C THR A 7 -6.739 -5.107 6.808 1.00 8.75 C ATOM 117 O THR A 7 -6.363 -5.553 7.866 1.00 8.58 O ATOM 118 CB THR A 7 -6.794 -6.074 4.476 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.509 -7.213 4.908 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.905 -6.525 3.286 1.00 9.17 C ATOM 0 H THR A 7 -4.939 -7.189 5.768 1.00 7.41 H new ATOM 0 HA THR A 7 -5.642 -4.445 5.185 1.00 7.48 H new ATOM 0 HB THR A 7 -7.510 -5.305 4.186 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.027 -7.577 4.160 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.528 -6.991 2.523 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.398 -5.658 2.861 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.163 -7.243 3.637 1.00 9.17 H new ATOM 128 N LEU A 8 -7.821 -4.326 6.669 1.00 9.84 N ATOM 129 CA LEU A 8 -8.815 -4.093 7.664 1.00 14.15 C ATOM 130 C LEU A 8 -9.327 -5.396 8.270 1.00 17.37 C ATOM 131 O LEU A 8 -9.536 -5.439 9.479 1.00 17.01 O ATOM 132 CB LEU A 8 -10.088 -3.423 6.982 1.00 16.63 C ATOM 133 CG LEU A 8 -9.895 -2.046 6.346 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.104 -1.530 5.672 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.412 -0.945 7.340 1.00 18.59 C ATOM 0 H LEU A 8 -8.013 -3.824 5.802 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.356 -3.467 8.429 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.456 -4.102 6.213 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.871 -3.341 7.736 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.113 -2.236 5.611 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.892 -0.550 5.245 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.399 -2.216 4.878 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.915 -1.443 6.395 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.300 0.000 6.809 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.145 -0.829 8.138 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.453 -1.237 7.768 1.00 18.59 H new ATOM 147 N THR A 9 -9.505 -6.414 7.471 1.00 18.33 N ATOM 148 CA THR A 9 -10.158 -7.708 7.871 1.00 19.24 C ATOM 149 C THR A 9 -9.172 -8.753 8.335 1.00 19.48 C ATOM 150 O THR A 9 -9.547 -9.863 8.682 1.00 23.14 O ATOM 151 CB THR A 9 -10.910 -8.233 6.656 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.123 -8.488 5.522 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.070 -7.268 6.231 1.00 19.70 C ATOM 0 H THR A 9 -9.206 -6.403 6.496 1.00 18.33 H new ATOM 0 HA THR A 9 -10.819 -7.511 8.715 1.00 19.24 H new ATOM 0 HB THR A 9 -11.297 -9.191 7.002 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.246 -8.065 5.631 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.583 -7.677 5.361 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.777 -7.165 7.054 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.657 -6.290 5.983 1.00 19.70 H new ATOM 161 N GLY A 10 -7.940 -8.322 8.305 1.00 19.43 N ATOM 162 CA GLY A 10 -6.818 -8.976 8.914 1.00 18.74 C ATOM 163 C GLY A 10 -6.178 -9.987 7.965 1.00 17.62 C ATOM 164 O GLY A 10 -5.220 -10.634 8.352 1.00 19.74 O ATOM 0 H GLY A 10 -7.680 -7.458 7.829 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.078 -8.232 9.208 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.140 -9.483 9.824 1.00 18.74 H new ATOM 168 N LYS A 11 -6.643 -10.017 6.698 1.00 13.56 N ATOM 169 CA LYS A 11 -6.039 -10.833 5.631 1.00 11.91 C ATOM 170 C LYS A 11 -4.593 -10.399 5.380 1.00 10.18 C ATOM 171 O LYS A 11 -4.293 -9.225 5.405 1.00 9.10 O ATOM 172 CB LYS A 11 -6.928 -10.627 4.366 1.00 13.43 C ATOM 173 CG LYS A 11 -6.588 -11.530 3.199 1.00 16.69 C ATOM 174 CD LYS A 11 -7.442 -11.285 1.961 1.00 17.92 C ATOM 175 CE LYS A 11 -7.574 -12.393 1.010 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.375 -12.580 0.248 1.00 21.93 N ATOM 0 H LYS A 11 -7.449 -9.474 6.389 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.001 -11.888 5.903 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.970 -10.789 4.641 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.841 -9.590 4.043 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.539 -11.391 2.938 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.705 -12.568 3.509 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.442 -11.001 2.290 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.027 -10.429 1.428 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.810 -13.310 1.550 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.408 -12.197 0.336 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.504 -13.372 -0.414 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.164 -11.713 -0.286 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -5.585 -12.792 0.890 1.00 21.93 H new ATOM 190 N THR A 12 -3.699 -11.409 5.075 1.00 9.63 N ATOM 191 CA THR A 12 -2.260 -11.119 4.817 1.00 9.85 C ATOM 192 C THR A 12 -1.941 -11.377 3.426 1.00 11.66 C ATOM 193 O THR A 12 -1.855 -12.533 3.004 1.00 12.33 O ATOM 194 CB THR A 12 -1.272 -11.811 5.669 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.589 -11.551 7.012 1.00 10.91 O ATOM 196 CG2 THR A 12 0.096 -11.178 5.403 1.00 9.63 C ATOM 0 H THR A 12 -3.952 -12.395 5.007 1.00 9.63 H new ATOM 0 HA THR A 12 -2.164 -10.065 5.079 1.00 9.85 H new ATOM 0 HB THR A 12 -1.271 -12.881 5.463 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.475 -12.369 7.539 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.850 -11.668 6.019 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.354 -11.297 4.351 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.060 -10.117 5.650 1.00 9.63 H new ATOM 204 N ILE A 13 -1.582 -10.388 2.632 1.00 10.42 N ATOM 205 CA ILE A 13 -1.248 -10.551 1.148 1.00 11.84 C ATOM 206 C ILE A 13 0.178 -10.070 0.849 1.00 10.55 C ATOM 207 O ILE A 13 0.677 -9.030 1.278 1.00 11.92 O ATOM 208 CB ILE A 13 -2.215 -9.882 0.222 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.251 -8.346 0.269 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.652 -10.419 0.548 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.205 -7.737 -0.761 1.00 16.46 C ATOM 0 H ILE A 13 -1.500 -9.425 2.958 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.328 -11.621 0.955 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.871 -10.128 -0.783 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.550 -8.026 1.267 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.246 -7.959 0.098 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.376 -9.946 -0.115 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.679 -11.499 0.402 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.901 -10.186 1.583 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.185 -6.650 -0.677 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.893 -8.029 -1.764 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.217 -8.097 -0.577 1.00 16.46 H new ATOM 223 N THR A 14 0.944 -10.955 0.187 1.00 9.39 N ATOM 224 CA THR A 14 2.296 -10.633 -0.364 1.00 9.63 C ATOM 225 C THR A 14 2.157 -9.877 -1.666 1.00 11.20 C ATOM 226 O THR A 14 1.316 -10.230 -2.475 1.00 11.63 O ATOM 227 CB THR A 14 3.216 -11.840 -0.773 1.00 10.38 C ATOM 228 OG1 THR A 14 3.159 -12.779 0.310 1.00 16.30 O ATOM 229 CG2 THR A 14 4.709 -11.553 -0.954 1.00 11.66 C ATOM 0 H THR A 14 0.654 -11.917 0.013 1.00 9.39 H new ATOM 0 HA THR A 14 2.751 -10.098 0.470 1.00 9.63 H new ATOM 0 HB THR A 14 2.838 -12.165 -1.742 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.719 -13.555 0.100 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.225 -12.471 -1.235 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.844 -10.807 -1.737 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.123 -11.176 -0.019 1.00 11.66 H new ATOM 237 N LEU A 15 2.990 -8.834 -1.844 1.00 8.29 N ATOM 238 CA LEU A 15 3.122 -7.999 -3.042 1.00 9.03 C ATOM 239 C LEU A 15 4.560 -7.938 -3.433 1.00 8.59 C ATOM 240 O LEU A 15 5.412 -7.634 -2.593 1.00 7.79 O ATOM 241 CB LEU A 15 2.554 -6.653 -2.813 1.00 11.08 C ATOM 242 CG LEU A 15 1.050 -6.558 -2.653 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.710 -5.078 -2.578 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.280 -7.315 -3.705 1.00 15.27 C ATOM 0 H LEU A 15 3.627 -8.537 -1.105 1.00 8.29 H new ATOM 0 HA LEU A 15 2.556 -8.440 -3.862 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.017 -6.238 -1.917 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.847 -6.016 -3.647 1.00 11.08 H new ATOM 0 HG LEU A 15 0.736 -7.055 -1.735 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.367 -4.958 -2.462 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.219 -4.631 -1.724 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.034 -4.583 -3.494 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.789 -7.201 -3.526 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.527 -6.921 -4.691 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.545 -8.371 -3.660 1.00 15.27 H new ATOM 256 N GLU A 16 4.831 -8.193 -4.787 1.00 11.04 N ATOM 257 CA GLU A 16 6.100 -8.176 -5.338 1.00 11.50 C ATOM 258 C GLU A 16 6.359 -6.821 -6.071 1.00 10.13 C ATOM 259 O GLU A 16 5.708 -6.423 -7.048 1.00 9.83 O ATOM 260 CB GLU A 16 6.093 -9.262 -6.430 1.00 17.22 C ATOM 261 CG GLU A 16 7.482 -9.435 -7.070 1.00 23.33 C ATOM 262 CD GLU A 16 7.519 -10.620 -8.058 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.950 -10.517 -9.162 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.087 -11.646 -7.663 1.00 28.86 O ATOM 0 H GLU A 16 4.100 -8.411 -5.464 1.00 11.04 H new ATOM 0 HA GLU A 16 6.851 -8.325 -4.563 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.771 -10.210 -5.999 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.368 -8.999 -7.200 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.757 -8.519 -7.592 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.225 -9.592 -6.288 1.00 23.33 H new ATOM 271 N VAL A 17 7.400 -6.138 -5.608 1.00 8.99 N ATOM 272 CA VAL A 17 7.554 -4.720 -5.852 1.00 8.85 C ATOM 273 C VAL A 17 9.002 -4.455 -6.130 1.00 8.04 C ATOM 274 O VAL A 17 9.846 -5.339 -6.085 1.00 8.99 O ATOM 275 CB VAL A 17 7.019 -3.861 -4.795 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.506 -4.201 -4.487 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.808 -4.019 -3.462 1.00 10.54 C ATOM 0 H VAL A 17 8.152 -6.553 -5.058 1.00 8.99 H new ATOM 0 HA VAL A 17 6.947 -4.455 -6.718 1.00 8.85 H new ATOM 0 HB VAL A 17 7.115 -2.841 -5.166 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.139 -3.545 -3.697 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.909 -4.054 -5.387 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.425 -5.239 -4.164 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.378 -3.364 -2.705 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.747 -5.053 -3.124 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.852 -3.751 -3.623 1.00 10.54 H new ATOM 287 N GLU A 18 9.327 -3.233 -6.553 1.00 7.29 N ATOM 288 CA GLU A 18 10.633 -2.675 -6.687 1.00 7.08 C ATOM 289 C GLU A 18 10.746 -1.485 -5.719 1.00 6.45 C ATOM 290 O GLU A 18 9.747 -0.789 -5.562 1.00 5.28 O ATOM 291 CB GLU A 18 10.908 -2.256 -8.133 1.00 10.28 C ATOM 292 CG GLU A 18 12.117 -1.374 -8.526 1.00 12.65 C ATOM 293 CD GLU A 18 12.417 -1.423 -10.017 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.524 -1.006 -10.788 1.00 14.33 O ATOM 295 OE2 GLU A 18 13.554 -1.849 -10.435 1.00 18.17 O ATOM 0 H GLU A 18 8.606 -2.567 -6.829 1.00 7.29 H new ATOM 0 HA GLU A 18 11.386 -3.421 -6.435 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.990 -3.175 -8.714 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.016 -1.736 -8.482 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.920 -0.343 -8.232 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.996 -1.701 -7.971 1.00 12.65 H new ATOM 302 N PRO A 19 11.847 -1.136 -5.045 1.00 7.24 N ATOM 303 CA PRO A 19 12.033 0.008 -4.152 1.00 7.07 C ATOM 304 C PRO A 19 11.695 1.288 -4.751 1.00 6.65 C ATOM 305 O PRO A 19 11.514 2.273 -4.028 1.00 6.37 O ATOM 306 CB PRO A 19 13.518 -0.090 -3.712 1.00 7.61 C ATOM 307 CG PRO A 19 13.826 -1.552 -3.812 1.00 8.16 C ATOM 308 CD PRO A 19 12.993 -2.042 -4.943 1.00 7.49 C ATOM 0 HA PRO A 19 11.348 -0.033 -3.305 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.167 0.500 -4.359 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.659 0.280 -2.696 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.886 -1.720 -4.000 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.580 -2.072 -2.886 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.565 -2.048 -5.871 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.663 -3.065 -4.765 1.00 7.49 H new ATOM 316 N SER A 20 11.674 1.404 -6.111 1.00 6.80 N ATOM 317 CA SER A 20 11.370 2.626 -6.747 1.00 6.28 C ATOM 318 C SER A 20 9.955 2.799 -7.138 1.00 8.45 C ATOM 319 O SER A 20 9.600 3.896 -7.550 1.00 7.26 O ATOM 320 CB SER A 20 12.148 2.694 -8.120 1.00 8.57 C ATOM 321 OG SER A 20 13.552 2.636 -7.896 1.00 11.13 O ATOM 0 H SER A 20 11.872 0.635 -6.751 1.00 6.80 H new ATOM 0 HA SER A 20 11.638 3.385 -6.013 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.841 1.868 -8.761 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.894 3.615 -8.644 1.00 8.57 H new ATOM 0 HG SER A 20 14.022 2.677 -8.755 1.00 11.13 H new ATOM 327 N ASP A 21 9.075 1.727 -6.934 1.00 7.50 N ATOM 328 CA ASP A 21 7.710 1.770 -7.218 1.00 7.70 C ATOM 329 C ASP A 21 7.013 2.817 -6.307 1.00 7.08 C ATOM 330 O ASP A 21 7.283 2.940 -5.126 1.00 8.11 O ATOM 331 CB ASP A 21 7.031 0.349 -7.054 1.00 11.00 C ATOM 332 CG ASP A 21 7.356 -0.694 -8.172 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.979 -0.293 -9.228 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.032 -1.863 -7.990 1.00 18.03 O ATOM 0 H ASP A 21 9.379 0.829 -6.558 1.00 7.50 H new ATOM 0 HA ASP A 21 7.592 2.066 -8.260 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.335 -0.069 -6.094 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.950 0.486 -7.014 1.00 11.00 H new ATOM 339 N THR A 22 6.016 3.505 -6.882 1.00 5.37 N ATOM 340 CA THR A 22 5.195 4.405 -6.153 1.00 6.01 C ATOM 341 C THR A 22 4.044 3.802 -5.477 1.00 8.01 C ATOM 342 O THR A 22 3.610 2.692 -5.832 1.00 8.11 O ATOM 343 CB THR A 22 4.572 5.408 -7.154 1.00 8.92 C ATOM 344 OG1 THR A 22 4.089 4.837 -8.327 1.00 10.22 O ATOM 345 CG2 THR A 22 5.604 6.499 -7.559 1.00 9.65 C ATOM 0 H THR A 22 5.778 3.433 -7.871 1.00 5.37 H new ATOM 0 HA THR A 22 5.854 4.835 -5.398 1.00 6.01 H new ATOM 0 HB THR A 22 3.724 5.829 -6.615 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.712 5.537 -8.901 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.143 7.192 -8.263 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.925 7.043 -6.671 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.468 6.027 -8.027 1.00 9.65 H new ATOM 353 N ILE A 23 3.466 4.447 -4.474 1.00 8.32 N ATOM 354 CA ILE A 23 2.386 3.891 -3.620 1.00 9.92 C ATOM 355 C ILE A 23 1.102 3.761 -4.486 1.00 10.01 C ATOM 356 O ILE A 23 0.384 2.775 -4.431 1.00 8.71 O ATOM 357 CB ILE A 23 1.986 4.634 -2.397 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.185 5.029 -1.595 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.876 3.876 -1.631 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.169 3.865 -1.291 1.00 12.30 C ATOM 0 H ILE A 23 3.730 5.397 -4.212 1.00 8.32 H new ATOM 0 HA ILE A 23 2.819 2.960 -3.256 1.00 9.92 H new ATOM 0 HB ILE A 23 1.524 5.583 -2.669 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.722 5.812 -2.130 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.850 5.460 -0.652 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.600 4.439 -0.740 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.003 3.762 -2.274 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.242 2.892 -1.339 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.008 4.241 -0.706 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.652 3.089 -0.726 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.538 3.447 -2.227 1.00 12.30 H new ATOM 372 N GLU A 24 0.877 4.670 -5.433 1.00 9.54 N ATOM 373 CA GLU A 24 -0.215 4.574 -6.488 1.00 11.81 C ATOM 374 C GLU A 24 -0.169 3.291 -7.295 1.00 11.14 C ATOM 375 O GLU A 24 -1.224 2.638 -7.440 1.00 10.62 O ATOM 376 CB GLU A 24 -0.101 5.815 -7.401 1.00 19.24 C ATOM 377 CG GLU A 24 -1.141 6.170 -8.460 1.00 27.76 C ATOM 378 CD GLU A 24 -2.422 6.703 -7.828 1.00 32.92 C ATOM 379 OE1 GLU A 24 -3.190 5.800 -7.347 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.783 7.884 -7.926 1.00 34.80 O ATOM 0 H GLU A 24 1.438 5.518 -5.519 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.181 4.550 -5.983 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.026 6.679 -6.740 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.853 5.729 -7.922 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.730 6.918 -9.139 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.369 5.288 -9.058 1.00 27.76 H new ATOM 387 N ASN A 25 1.037 2.877 -7.805 1.00 9.43 N ATOM 388 CA ASN A 25 1.251 1.563 -8.481 1.00 10.96 C ATOM 389 C ASN A 25 1.089 0.345 -7.575 1.00 9.68 C ATOM 390 O ASN A 25 0.500 -0.660 -7.953 1.00 9.33 O ATOM 391 CB ASN A 25 2.720 1.699 -8.987 1.00 16.78 C ATOM 392 CG ASN A 25 3.111 0.568 -9.993 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.039 -0.198 -9.636 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.558 0.477 -11.164 1.00 24.70 N ATOM 0 H ASN A 25 1.881 3.447 -7.756 1.00 9.43 H new ATOM 0 HA ASN A 25 0.507 1.381 -9.257 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.848 2.669 -9.468 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.399 1.674 -8.135 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.876 -0.232 -11.824 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.806 1.115 -11.424 1.00 24.70 H new ATOM 401 N VAL A 26 1.564 0.427 -6.322 1.00 6.52 N ATOM 402 CA VAL A 26 1.358 -0.572 -5.283 1.00 5.53 C ATOM 403 C VAL A 26 -0.137 -0.862 -4.951 1.00 4.42 C ATOM 404 O VAL A 26 -0.564 -2.008 -4.799 1.00 3.40 O ATOM 405 CB VAL A 26 2.240 -0.280 -4.047 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.968 -1.378 -2.999 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.678 -0.373 -4.498 1.00 8.12 C ATOM 0 H VAL A 26 2.120 1.221 -6.002 1.00 6.52 H new ATOM 0 HA VAL A 26 1.699 -1.522 -5.695 1.00 5.53 H new ATOM 0 HB VAL A 26 2.030 0.701 -3.621 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.579 -1.196 -2.115 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.914 -1.363 -2.722 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.219 -2.352 -3.419 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.338 -0.173 -3.654 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.875 -1.374 -4.883 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.861 0.360 -5.283 1.00 8.12 H new ATOM 417 N LYS A 27 -0.991 0.188 -4.896 1.00 2.64 N ATOM 418 CA LYS A 27 -2.482 0.115 -4.946 1.00 4.14 C ATOM 419 C LYS A 27 -3.027 -0.566 -6.200 1.00 5.58 C ATOM 420 O LYS A 27 -4.061 -1.266 -6.102 1.00 4.11 O ATOM 421 CB LYS A 27 -3.123 1.548 -4.715 1.00 3.97 C ATOM 422 CG LYS A 27 -2.672 2.300 -3.462 1.00 7.45 C ATOM 423 CD LYS A 27 -3.434 3.658 -3.237 1.00 9.02 C ATOM 424 CE LYS A 27 -2.738 4.540 -2.159 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.689 5.577 -1.636 1.00 15.47 N ATOM 0 H LYS A 27 -0.654 1.147 -4.812 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.786 -0.533 -4.124 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.899 2.167 -5.584 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.206 1.435 -4.675 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.820 1.661 -2.591 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.603 2.500 -3.533 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.485 4.206 -4.178 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.460 3.453 -2.932 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.387 3.913 -1.339 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.861 5.025 -2.588 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.352 5.924 -0.715 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.741 6.370 -2.307 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.634 5.157 -1.523 1.00 15.47 H new ATOM 439 N ALA A 28 -2.405 -0.460 -7.380 1.00 6.61 N ATOM 440 CA ALA A 28 -2.815 -1.220 -8.596 1.00 7.74 C ATOM 441 C ALA A 28 -2.542 -2.727 -8.435 1.00 9.17 C ATOM 442 O ALA A 28 -3.318 -3.621 -8.869 1.00 11.45 O ATOM 443 CB ALA A 28 -2.025 -0.746 -9.815 1.00 7.68 C ATOM 0 H ALA A 28 -1.603 0.151 -7.532 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.882 -1.045 -8.730 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.337 -1.311 -10.693 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.213 0.315 -9.981 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.960 -0.903 -9.642 1.00 7.68 H new ATOM 449 N LYS A 29 -1.461 -3.054 -7.776 1.00 8.96 N ATOM 450 CA LYS A 29 -1.205 -4.459 -7.448 1.00 7.90 C ATOM 451 C LYS A 29 -2.269 -5.023 -6.542 1.00 6.92 C ATOM 452 O LYS A 29 -2.812 -6.099 -6.793 1.00 6.87 O ATOM 453 CB LYS A 29 0.142 -4.672 -6.752 1.00 10.28 C ATOM 454 CG LYS A 29 1.300 -4.175 -7.627 1.00 14.94 C ATOM 455 CD LYS A 29 2.688 -4.495 -7.137 1.00 19.69 C ATOM 456 CE LYS A 29 3.838 -3.881 -7.937 1.00 22.63 C ATOM 457 NZ LYS A 29 3.972 -4.577 -9.232 1.00 24.98 N ATOM 0 H LYS A 29 -0.751 -2.395 -7.456 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.204 -4.974 -8.409 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.150 -4.144 -5.799 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.277 -5.731 -6.531 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.182 -4.599 -8.624 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.213 -3.093 -7.728 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.773 -4.162 -6.102 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.811 -5.578 -7.135 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.653 -2.819 -8.101 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.768 -3.959 -7.374 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.755 -4.157 -9.773 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.168 -5.585 -9.066 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.088 -4.481 -9.771 1.00 24.98 H new ATOM 471 N ILE A 30 -2.668 -4.233 -5.492 1.00 4.57 N ATOM 472 CA ILE A 30 -3.750 -4.590 -4.570 1.00 5.58 C ATOM 473 C ILE A 30 -5.019 -4.768 -5.267 1.00 7.26 C ATOM 474 O ILE A 30 -5.779 -5.692 -4.925 1.00 9.46 O ATOM 475 CB ILE A 30 -3.854 -3.607 -3.383 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.500 -3.524 -2.597 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.126 -3.831 -2.515 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.377 -2.618 -1.356 1.00 2.00 C ATOM 0 H ILE A 30 -2.234 -3.335 -5.279 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.496 -5.558 -4.138 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.010 -2.605 -3.783 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.246 -4.537 -2.284 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.734 -3.207 -3.305 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.141 -3.110 -1.698 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.015 -3.699 -3.132 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.114 -4.842 -2.107 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.369 -2.693 -0.949 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.578 -1.585 -1.639 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.097 -2.935 -0.602 1.00 2.00 H new ATOM 490 N GLN A 31 -5.331 -3.938 -6.332 1.00 7.06 N ATOM 491 CA GLN A 31 -6.476 -4.121 -7.191 1.00 8.67 C ATOM 492 C GLN A 31 -6.578 -5.487 -7.911 1.00 10.90 C ATOM 493 O GLN A 31 -7.650 -6.087 -7.974 1.00 9.63 O ATOM 494 CB GLN A 31 -6.506 -3.011 -8.329 1.00 9.12 C ATOM 495 CG GLN A 31 -7.903 -2.933 -8.997 1.00 10.76 C ATOM 496 CD GLN A 31 -7.969 -1.823 -10.062 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.019 -1.203 -10.604 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.255 -1.730 -10.554 1.00 14.76 N ATOM 0 H GLN A 31 -4.763 -3.129 -6.585 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.315 -4.053 -6.498 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.249 -2.041 -7.902 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.752 -3.238 -9.082 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.139 -3.892 -9.457 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.660 -2.750 -8.235 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.013 -2.241 -10.101 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.448 -1.151 -11.371 1.00 14.76 H new ATOM 507 N ASP A 32 -5.496 -5.942 -8.456 1.00 10.93 N ATOM 508 CA ASP A 32 -5.396 -7.283 -8.956 1.00 14.01 C ATOM 509 C ASP A 32 -5.549 -8.416 -7.947 1.00 14.04 C ATOM 510 O ASP A 32 -6.192 -9.428 -8.213 1.00 13.39 O ATOM 511 CB ASP A 32 -4.046 -7.516 -9.667 1.00 18.01 C ATOM 512 CG ASP A 32 -4.227 -8.497 -10.781 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.123 -8.258 -11.571 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.404 -9.456 -10.950 1.00 26.29 O ATOM 0 H ASP A 32 -4.646 -5.390 -8.570 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.255 -7.333 -9.626 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.662 -6.574 -10.058 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.309 -7.890 -8.956 1.00 18.01 H new ATOM 519 N LYS A 33 -4.901 -8.319 -6.736 1.00 14.22 N ATOM 520 CA LYS A 33 -5.065 -9.244 -5.684 1.00 14.00 C ATOM 521 C LYS A 33 -6.452 -9.270 -5.051 1.00 12.37 C ATOM 522 O LYS A 33 -7.062 -10.340 -4.776 1.00 12.17 O ATOM 523 CB LYS A 33 -4.051 -8.907 -4.547 1.00 18.62 C ATOM 524 CG LYS A 33 -2.559 -9.132 -4.833 1.00 24.00 C ATOM 525 CD LYS A 33 -2.192 -10.594 -4.888 1.00 27.61 C ATOM 526 CE LYS A 33 -0.830 -10.840 -5.559 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.330 -12.189 -5.283 1.00 30.06 N ATOM 0 H LYS A 33 -4.252 -7.564 -6.515 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.901 -10.221 -6.139 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.187 -7.860 -4.276 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.318 -9.500 -3.672 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.300 -8.660 -5.781 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.967 -8.642 -4.060 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.172 -10.997 -3.876 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.964 -11.138 -5.432 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.923 -10.699 -6.636 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.110 -10.104 -5.202 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.590 -12.321 -5.750 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.218 -12.314 -4.257 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.006 -12.891 -5.646 1.00 30.06 H new ATOM 541 N GLU A 34 -7.116 -8.106 -4.770 1.00 10.11 N ATOM 542 CA GLU A 34 -8.264 -8.081 -3.865 1.00 10.07 C ATOM 543 C GLU A 34 -9.376 -7.251 -4.391 1.00 9.32 C ATOM 544 O GLU A 34 -10.340 -6.980 -3.662 1.00 11.61 O ATOM 545 CB GLU A 34 -7.803 -7.447 -2.520 1.00 14.77 C ATOM 546 CG GLU A 34 -6.782 -8.258 -1.736 1.00 18.75 C ATOM 547 CD GLU A 34 -7.142 -9.698 -1.482 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.338 -10.019 -1.215 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.237 -10.547 -1.492 1.00 25.19 O ATOM 0 H GLU A 34 -6.866 -7.197 -5.160 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.622 -9.104 -3.747 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.380 -6.464 -2.727 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.680 -7.292 -1.891 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.834 -8.230 -2.273 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.619 -7.769 -0.775 1.00 18.75 H new ATOM 556 N GLY A 35 -9.289 -6.666 -5.625 1.00 7.22 N ATOM 557 CA GLY A 35 -10.432 -6.091 -6.300 1.00 6.29 C ATOM 558 C GLY A 35 -10.879 -4.673 -5.909 1.00 6.93 C ATOM 559 O GLY A 35 -11.840 -4.141 -6.440 1.00 7.41 O ATOM 0 H GLY A 35 -8.419 -6.594 -6.152 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.219 -6.088 -7.369 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.279 -6.760 -6.146 1.00 6.29 H new ATOM 563 N ILE A 36 -10.219 -4.103 -4.888 1.00 5.86 N ATOM 564 CA ILE A 36 -10.420 -2.728 -4.388 1.00 6.07 C ATOM 565 C ILE A 36 -9.830 -1.710 -5.375 1.00 6.36 C ATOM 566 O ILE A 36 -8.617 -1.816 -5.686 1.00 6.18 O ATOM 567 CB ILE A 36 -9.829 -2.505 -3.061 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.908 -3.713 -2.056 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.515 -1.282 -2.445 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.339 -3.495 -0.673 1.00 9.49 C ATOM 0 H ILE A 36 -9.501 -4.605 -4.365 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.498 -2.592 -4.297 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.761 -2.361 -3.225 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.955 -3.997 -1.950 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.391 -4.561 -2.505 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.097 -1.090 -1.457 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.352 -0.413 -3.083 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.585 -1.471 -2.356 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.458 -4.404 -0.083 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.280 -3.248 -0.750 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.868 -2.676 -0.187 1.00 9.49 H new ATOM 582 N PRO A 37 -10.582 -0.716 -5.898 1.00 8.65 N ATOM 583 CA PRO A 37 -10.065 0.317 -6.762 1.00 9.18 C ATOM 584 C PRO A 37 -8.958 1.169 -6.105 1.00 9.85 C ATOM 585 O PRO A 37 -9.178 1.510 -4.942 1.00 8.51 O ATOM 586 CB PRO A 37 -11.292 1.246 -7.079 1.00 11.42 C ATOM 587 CG PRO A 37 -12.492 0.346 -6.781 1.00 9.27 C ATOM 588 CD PRO A 37 -12.043 -0.669 -5.722 1.00 8.33 C ATOM 0 HA PRO A 37 -9.613 -0.140 -7.642 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.293 2.140 -6.455 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.287 1.581 -8.116 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.334 0.935 -6.417 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.826 -0.163 -7.685 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.317 -0.350 -4.717 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.499 -1.646 -5.882 1.00 8.33 H new ATOM 596 N PRO A 38 -7.836 1.559 -6.696 1.00 8.71 N ATOM 597 CA PRO A 38 -6.803 2.263 -6.013 1.00 9.08 C ATOM 598 C PRO A 38 -7.244 3.604 -5.357 1.00 9.28 C ATOM 599 O PRO A 38 -6.609 4.110 -4.429 1.00 6.50 O ATOM 600 CB PRO A 38 -5.717 2.418 -7.106 1.00 10.31 C ATOM 601 CG PRO A 38 -5.816 1.189 -7.959 1.00 10.81 C ATOM 602 CD PRO A 38 -7.277 0.858 -7.945 1.00 12.00 C ATOM 0 HA PRO A 38 -6.449 1.725 -5.134 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.883 3.319 -7.697 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.725 2.507 -6.662 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.458 1.376 -8.972 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.217 0.373 -7.555 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.770 1.213 -8.850 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.436 -0.219 -7.897 1.00 12.00 H new ATOM 610 N ASP A 39 -8.344 4.226 -5.772 1.00 11.20 N ATOM 611 CA ASP A 39 -8.730 5.620 -5.410 1.00 14.96 C ATOM 612 C ASP A 39 -9.404 5.594 -4.002 1.00 13.99 C ATOM 613 O ASP A 39 -9.639 6.614 -3.380 1.00 13.75 O ATOM 614 CB ASP A 39 -9.668 6.232 -6.494 1.00 24.16 C ATOM 615 CG ASP A 39 -9.682 7.734 -6.288 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.623 8.394 -6.454 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.780 8.310 -5.993 1.00 35.55 O ATOM 0 H ASP A 39 -9.022 3.776 -6.387 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.847 6.257 -5.369 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.311 5.985 -7.494 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.675 5.823 -6.405 1.00 24.16 H new ATOM 622 N GLN A 40 -9.798 4.438 -3.565 1.00 11.60 N ATOM 623 CA GLN A 40 -10.627 4.165 -2.389 1.00 10.76 C ATOM 624 C GLN A 40 -9.720 3.457 -1.348 1.00 8.01 C ATOM 625 O GLN A 40 -10.041 3.356 -0.189 1.00 8.96 O ATOM 626 CB GLN A 40 -11.750 3.203 -2.819 1.00 11.14 C ATOM 627 CG GLN A 40 -13.093 3.820 -2.964 1.00 14.85 C ATOM 628 CD GLN A 40 -13.919 3.890 -1.695 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.307 4.991 -1.287 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.168 2.693 -1.124 1.00 18.16 N ATOM 0 H GLN A 40 -9.537 3.578 -4.048 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.056 5.075 -1.970 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.472 2.749 -3.770 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.815 2.397 -2.088 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.969 4.831 -3.353 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.653 3.258 -3.711 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.798 1.840 -1.545 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.726 2.641 -0.272 1.00 18.16 H new ATOM 639 N GLN A 41 -8.490 3.066 -1.713 1.00 6.52 N ATOM 640 CA GLN A 41 -7.455 2.564 -0.850 1.00 3.87 C ATOM 641 C GLN A 41 -6.635 3.642 -0.261 1.00 4.79 C ATOM 642 O GLN A 41 -6.095 4.535 -0.982 1.00 6.34 O ATOM 643 CB GLN A 41 -6.435 1.698 -1.659 1.00 4.20 C ATOM 644 CG GLN A 41 -7.121 0.436 -2.227 1.00 3.20 C ATOM 645 CD GLN A 41 -6.098 -0.369 -3.043 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.919 -0.548 -2.685 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.530 -0.914 -4.179 1.00 7.13 N ATOM 0 H GLN A 41 -8.190 3.102 -2.687 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.979 2.000 -0.078 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.015 2.288 -2.474 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.605 1.408 -1.015 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.518 -0.174 -1.415 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.965 0.718 -2.856 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.495 -0.772 -4.478 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.896 -1.474 -4.749 1.00 7.13 H new ATOM 656 N ARG A 42 -6.412 3.532 1.064 1.00 5.73 N ATOM 657 CA ARG A 42 -5.445 4.306 1.863 1.00 6.97 C ATOM 658 C ARG A 42 -4.363 3.384 2.392 1.00 7.15 C ATOM 659 O ARG A 42 -4.486 2.128 2.302 1.00 7.33 O ATOM 660 CB ARG A 42 -6.158 4.880 3.086 1.00 13.23 C ATOM 661 CG ARG A 42 -7.050 6.027 2.797 1.00 21.27 C ATOM 662 CD ARG A 42 -7.568 6.714 4.098 1.00 26.14 C ATOM 663 NE ARG A 42 -8.419 7.825 3.657 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.270 8.510 4.364 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.962 7.953 5.384 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.556 9.771 3.954 1.00 36.39 N ATOM 0 H ARG A 42 -6.930 2.864 1.635 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.021 5.089 1.235 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.745 4.089 3.553 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.409 5.193 3.813 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.514 6.758 2.191 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.900 5.684 2.206 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.131 6.012 4.713 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.738 7.075 4.705 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.333 8.093 2.677 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.824 6.970 5.617 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.622 8.516 5.920 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.109 10.149 3.119 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.218 10.341 4.481 1.00 36.39 H new ATOM 680 N LEU A 43 -3.189 3.843 2.830 1.00 4.65 N ATOM 681 CA LEU A 43 -2.096 2.965 3.211 1.00 3.51 C ATOM 682 C LEU A 43 -1.337 3.615 4.333 1.00 5.56 C ATOM 683 O LEU A 43 -0.822 4.758 4.191 1.00 4.19 O ATOM 684 CB LEU A 43 -1.144 2.659 2.035 1.00 3.74 C ATOM 685 CG LEU A 43 -0.253 1.409 2.213 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.988 0.103 2.318 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.778 1.384 1.165 1.00 6.41 C ATOM 0 H LEU A 43 -2.975 4.836 2.928 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.517 2.010 3.527 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.739 2.534 1.130 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.500 3.524 1.876 1.00 3.74 H new ATOM 0 HG LEU A 43 0.217 1.509 3.191 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.271 -0.709 2.440 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.656 0.130 3.179 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.570 -0.061 1.411 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.405 0.502 1.293 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.301 1.351 0.186 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.394 2.280 1.239 1.00 6.41 H new ATOM 699 N ILE A 44 -1.154 2.897 5.388 1.00 4.58 N ATOM 700 CA ILE A 44 -0.404 3.327 6.571 1.00 5.55 C ATOM 701 C ILE A 44 0.905 2.451 6.760 1.00 5.46 C ATOM 702 O ILE A 44 0.863 1.280 6.651 1.00 6.04 O ATOM 703 CB ILE A 44 -1.242 3.299 7.870 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.299 4.419 7.836 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.455 3.394 9.198 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.380 4.379 8.862 1.00 13.90 C ATOM 0 H ILE A 44 -1.529 1.952 5.477 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.129 4.366 6.388 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.691 2.306 7.874 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.781 5.373 7.931 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.769 4.408 6.852 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.151 3.364 10.036 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.237 2.555 9.271 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.104 4.329 9.224 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.050 5.226 8.718 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.942 3.451 8.762 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.939 4.431 9.857 1.00 13.90 H new ATOM 718 N PHE A 45 2.079 3.111 7.088 1.00 6.75 N ATOM 719 CA PHE A 45 3.218 2.375 7.611 1.00 4.70 C ATOM 720 C PHE A 45 4.057 3.371 8.452 1.00 6.34 C ATOM 721 O PHE A 45 4.119 4.590 8.098 1.00 5.45 O ATOM 722 CB PHE A 45 4.079 1.769 6.462 1.00 5.51 C ATOM 723 CG PHE A 45 5.415 1.136 6.937 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.418 -0.004 7.668 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.664 1.748 6.589 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.679 -0.571 8.126 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.872 1.281 7.135 1.00 6.64 C ATOM 728 CZ PHE A 45 7.833 0.113 7.959 1.00 6.84 C ATOM 0 H PHE A 45 2.224 4.116 6.991 1.00 6.75 H new ATOM 0 HA PHE A 45 2.877 1.539 8.221 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.493 1.009 5.945 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.298 2.551 5.735 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.486 -0.492 7.911 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.677 2.578 5.899 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.692 -1.541 8.601 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.804 1.790 6.938 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.733 -0.225 8.452 1.00 6.84 H new ATOM 738 N ALA A 46 4.799 2.919 9.492 1.00 6.53 N ATOM 739 CA ALA A 46 5.472 3.671 10.541 1.00 7.15 C ATOM 740 C ALA A 46 4.612 4.666 11.255 1.00 9.00 C ATOM 741 O ALA A 46 5.001 5.803 11.534 1.00 11.15 O ATOM 742 CB ALA A 46 6.785 4.320 9.891 1.00 8.99 C ATOM 0 H ALA A 46 4.946 1.917 9.615 1.00 6.53 H new ATOM 0 HA ALA A 46 5.741 2.986 11.345 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.320 4.894 10.648 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.432 3.529 9.511 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.498 4.979 9.071 1.00 8.99 H new ATOM 748 N GLY A 47 3.345 4.203 11.533 1.00 9.35 N ATOM 749 CA GLY A 47 2.351 4.919 12.356 1.00 11.68 C ATOM 750 C GLY A 47 1.696 6.074 11.638 1.00 11.14 C ATOM 751 O GLY A 47 0.918 6.828 12.181 1.00 13.93 O ATOM 0 H GLY A 47 3.000 3.311 11.179 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.581 4.216 12.675 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.837 5.291 13.258 1.00 11.68 H new ATOM 755 N LYS A 48 2.106 6.325 10.316 1.00 10.47 N ATOM 756 CA LYS A 48 1.614 7.419 9.492 1.00 8.82 C ATOM 757 C LYS A 48 1.083 7.031 8.152 1.00 7.68 C ATOM 758 O LYS A 48 1.361 5.902 7.703 1.00 6.47 O ATOM 759 CB LYS A 48 2.649 8.586 9.265 1.00 9.74 C ATOM 760 CG LYS A 48 3.931 8.185 8.523 1.00 14.14 C ATOM 761 CD LYS A 48 4.848 9.441 8.277 1.00 16.32 C ATOM 762 CE LYS A 48 6.076 8.978 7.532 1.00 20.04 C ATOM 763 NZ LYS A 48 6.861 10.155 7.220 1.00 23.92 N ATOM 0 H LYS A 48 2.792 5.742 9.836 1.00 10.47 H new ATOM 0 HA LYS A 48 0.786 7.770 10.108 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.158 9.382 8.705 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.924 9.001 10.235 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.475 7.440 9.103 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.676 7.723 7.570 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.314 10.197 7.701 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.127 9.901 9.225 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.654 8.281 8.139 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.796 8.450 6.620 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.719 9.873 6.704 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.299 10.801 6.630 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.130 10.637 8.102 1.00 23.92 H new ATOM 777 N GLN A 49 0.378 7.920 7.420 1.00 8.89 N ATOM 778 CA GLN A 49 -0.230 7.569 6.088 1.00 7.18 C ATOM 779 C GLN A 49 0.811 7.861 5.015 1.00 8.23 C ATOM 780 O GLN A 49 1.581 8.819 5.106 1.00 9.70 O ATOM 781 CB GLN A 49 -1.469 8.307 5.838 1.00 11.67 C ATOM 782 CG GLN A 49 -2.532 7.984 6.905 1.00 15.82 C ATOM 783 CD GLN A 49 -3.931 8.558 6.619 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.601 8.063 5.695 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.362 9.590 7.363 1.00 20.67 N ATOM 0 H GLN A 49 0.208 8.882 7.713 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.503 6.514 6.077 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.264 9.378 5.837 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.853 8.055 4.850 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.612 6.901 7.001 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.188 8.365 7.867 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.775 9.960 8.110 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.277 10.003 7.181 1.00 20.67 H new ATOM 794 N LEU A 50 0.882 6.951 4.097 1.00 6.51 N ATOM 795 CA LEU A 50 1.740 6.998 2.927 1.00 7.41 C ATOM 796 C LEU A 50 0.975 7.547 1.734 1.00 8.27 C ATOM 797 O LEU A 50 -0.226 7.355 1.521 1.00 8.34 O ATOM 798 CB LEU A 50 2.288 5.593 2.445 1.00 7.13 C ATOM 799 CG LEU A 50 2.836 4.681 3.513 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.564 3.523 2.798 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.826 5.282 4.549 1.00 9.11 C ATOM 0 H LEU A 50 0.317 6.103 4.134 1.00 6.51 H new ATOM 0 HA LEU A 50 2.576 7.622 3.244 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.481 5.070 1.931 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.073 5.767 1.710 1.00 7.13 H new ATOM 0 HG LEU A 50 1.964 4.399 4.104 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.976 2.839 3.540 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.859 2.987 2.162 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.372 3.924 2.186 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.132 4.507 5.252 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.703 5.670 4.031 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.338 6.091 5.092 1.00 9.11 H new ATOM 813 N GLU A 51 1.618 8.343 0.975 1.00 9.43 N ATOM 814 CA GLU A 51 0.998 9.287 0.046 1.00 11.90 C ATOM 815 C GLU A 51 1.202 8.725 -1.382 1.00 11.49 C ATOM 816 O GLU A 51 2.236 8.086 -1.593 1.00 9.88 O ATOM 817 CB GLU A 51 1.709 10.702 0.226 1.00 16.56 C ATOM 818 CG GLU A 51 1.283 11.757 -0.776 1.00 26.06 C ATOM 819 CD GLU A 51 2.012 13.039 -0.588 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.492 13.837 0.284 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.995 13.350 -1.372 1.00 33.44 O ATOM 0 H GLU A 51 2.637 8.380 0.960 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.068 9.415 0.231 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.504 11.071 1.231 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.788 10.564 0.151 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.457 11.387 -1.786 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.212 11.933 -0.682 1.00 26.06 H new ATOM 828 N ASP A 52 0.154 8.888 -2.239 1.00 12.71 N ATOM 829 CA ASP A 52 -0.065 8.168 -3.501 1.00 16.56 C ATOM 830 C ASP A 52 1.103 8.250 -4.487 1.00 15.83 C ATOM 831 O ASP A 52 1.621 7.275 -4.981 1.00 17.21 O ATOM 832 CB ASP A 52 -1.314 8.779 -4.209 1.00 21.05 C ATOM 833 CG ASP A 52 -2.440 8.564 -3.294 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.052 7.492 -3.322 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.633 9.423 -2.448 1.00 25.82 O ATOM 0 H ASP A 52 -0.589 9.560 -2.048 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.190 7.119 -3.233 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.170 9.841 -4.408 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.494 8.296 -5.170 1.00 21.05 H new ATOM 840 N GLY A 53 1.620 9.453 -4.724 1.00 15.00 N ATOM 841 CA GLY A 53 2.626 9.684 -5.744 1.00 11.77 C ATOM 842 C GLY A 53 4.055 9.493 -5.305 1.00 11.10 C ATOM 843 O GLY A 53 4.973 9.537 -6.137 1.00 11.25 O ATOM 0 H GLY A 53 1.350 10.292 -4.211 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.429 9.014 -6.581 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.512 10.702 -6.117 1.00 11.77 H new ATOM 847 N ARG A 54 4.264 9.300 -3.992 1.00 8.53 N ATOM 848 CA ARG A 54 5.524 8.934 -3.379 1.00 9.05 C ATOM 849 C ARG A 54 5.987 7.551 -3.706 1.00 8.96 C ATOM 850 O ARG A 54 5.186 6.774 -4.222 1.00 11.60 O ATOM 851 CB ARG A 54 5.446 9.240 -1.834 1.00 7.97 C ATOM 852 CG ARG A 54 5.120 10.787 -1.571 1.00 9.62 C ATOM 853 CD ARG A 54 6.210 11.799 -1.976 1.00 12.20 C ATOM 854 NE ARG A 54 5.639 13.185 -1.890 1.00 18.23 N ATOM 855 CZ ARG A 54 6.383 14.291 -1.961 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.678 14.215 -2.285 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.861 15.506 -1.768 1.00 23.38 N ATOM 0 H ARG A 54 3.514 9.403 -3.308 1.00 8.53 H new ATOM 0 HA ARG A 54 6.310 9.551 -3.814 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.676 8.619 -1.375 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.392 8.978 -1.359 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.205 11.039 -2.107 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.913 10.916 -0.509 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.075 11.706 -1.319 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.556 11.596 -2.989 1.00 12.20 H new ATOM 0 HE ARG A 54 4.631 13.287 -1.771 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.103 13.308 -2.480 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.241 15.064 -2.338 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.868 15.607 -1.560 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.456 16.332 -1.829 1.00 23.38 H new ATOM 871 N THR A 55 7.278 7.211 -3.508 1.00 9.05 N ATOM 872 CA THR A 55 7.861 5.875 -3.588 1.00 9.03 C ATOM 873 C THR A 55 8.093 5.023 -2.349 1.00 8.15 C ATOM 874 O THR A 55 8.005 5.459 -1.224 1.00 5.91 O ATOM 875 CB THR A 55 9.155 5.806 -4.402 1.00 11.15 C ATOM 876 OG1 THR A 55 10.218 6.325 -3.723 1.00 11.95 O ATOM 877 CG2 THR A 55 8.947 6.510 -5.767 1.00 11.71 C ATOM 0 H THR A 55 7.978 7.915 -3.273 1.00 9.05 H new ATOM 0 HA THR A 55 6.995 5.427 -4.076 1.00 9.03 H new ATOM 0 HB THR A 55 9.394 4.757 -4.580 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.949 5.672 -3.711 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.869 6.460 -6.346 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.147 6.012 -6.315 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.678 7.553 -5.601 1.00 11.71 H new ATOM 885 N LEU A 56 8.428 3.762 -2.569 1.00 6.91 N ATOM 886 CA LEU A 56 8.674 2.853 -1.469 1.00 8.29 C ATOM 887 C LEU A 56 9.972 3.111 -0.719 1.00 8.05 C ATOM 888 O LEU A 56 10.076 3.024 0.475 1.00 10.17 O ATOM 889 CB LEU A 56 8.641 1.343 -2.015 1.00 6.60 C ATOM 890 CG LEU A 56 7.277 0.757 -2.357 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.350 -0.598 -3.104 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.427 0.694 -1.116 1.00 8.64 C ATOM 0 H LEU A 56 8.535 3.349 -3.496 1.00 6.91 H new ATOM 0 HA LEU A 56 7.880 3.024 -0.742 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.264 1.293 -2.908 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.106 0.702 -1.266 1.00 6.60 H new ATOM 0 HG LEU A 56 6.800 1.428 -3.072 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.341 -0.953 -3.314 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.891 -0.468 -4.041 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.870 -1.328 -2.483 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.452 0.274 -1.364 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.915 0.064 -0.372 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.298 1.698 -0.712 1.00 8.64 H new ATOM 904 N SER A 57 11.050 3.583 -1.466 1.00 8.92 N ATOM 905 CA SER A 57 12.265 4.072 -0.926 1.00 9.00 C ATOM 906 C SER A 57 12.150 5.450 -0.227 1.00 9.44 C ATOM 907 O SER A 57 13.005 5.763 0.637 1.00 10.91 O ATOM 908 CB SER A 57 13.343 4.095 -2.063 1.00 10.32 C ATOM 909 OG SER A 57 12.972 4.954 -3.140 1.00 13.59 O ATOM 0 H SER A 57 11.034 3.608 -2.486 1.00 8.92 H new ATOM 0 HA SER A 57 12.562 3.392 -0.128 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.297 4.424 -1.650 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.491 3.084 -2.442 1.00 10.32 H new ATOM 0 HG SER A 57 13.672 4.940 -3.826 1.00 13.59 H new ATOM 915 N ASP A 58 11.017 6.173 -0.532 1.00 9.11 N ATOM 916 CA ASP A 58 10.944 7.472 0.096 1.00 7.91 C ATOM 917 C ASP A 58 10.423 7.284 1.499 1.00 9.12 C ATOM 918 O ASP A 58 10.663 8.132 2.371 1.00 8.61 O ATOM 919 CB ASP A 58 9.844 8.257 -0.671 1.00 8.41 C ATOM 920 CG ASP A 58 10.272 8.776 -2.032 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.449 9.162 -2.226 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.442 8.868 -2.956 1.00 10.05 O ATOM 0 H ASP A 58 10.246 5.894 -1.138 1.00 9.11 H new ATOM 0 HA ASP A 58 11.912 7.973 0.094 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.977 7.609 -0.800 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.524 9.100 -0.059 1.00 8.41 H new ATOM 927 N TYR A 59 9.778 6.145 1.756 1.00 7.97 N ATOM 928 CA TYR A 59 9.256 5.780 3.089 1.00 8.45 C ATOM 929 C TYR A 59 10.165 4.706 3.696 1.00 10.98 C ATOM 930 O TYR A 59 9.877 4.089 4.698 1.00 12.95 O ATOM 931 CB TYR A 59 7.837 5.202 2.904 1.00 7.94 C ATOM 932 CG TYR A 59 6.924 6.302 2.531 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.799 7.368 3.390 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.085 6.344 1.404 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.078 8.524 3.079 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.252 7.416 1.162 1.00 6.52 C ATOM 937 CZ TYR A 59 5.348 8.573 1.923 1.00 6.76 C ATOM 938 OH TYR A 59 4.616 9.682 1.626 1.00 7.63 O ATOM 0 H TYR A 59 9.598 5.438 1.043 1.00 7.97 H new ATOM 0 HA TYR A 59 9.228 6.649 3.746 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.839 4.434 2.131 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.499 4.726 3.825 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.282 7.309 4.354 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.093 5.516 0.710 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.097 9.373 3.747 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.518 7.355 0.373 1.00 6.52 H new ATOM 0 HH TYR A 59 5.047 10.472 2.014 1.00 7.63 H new ATOM 948 N ASN A 60 11.323 4.465 3.062 1.00 12.38 N ATOM 949 CA ASN A 60 12.320 3.476 3.519 1.00 13.94 C ATOM 950 C ASN A 60 11.785 2.027 3.699 1.00 14.16 C ATOM 951 O ASN A 60 12.234 1.313 4.597 1.00 14.26 O ATOM 952 CB ASN A 60 13.139 3.999 4.715 1.00 19.23 C ATOM 953 CG ASN A 60 13.643 5.412 4.402 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.198 6.330 5.097 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.640 5.568 3.433 1.00 24.09 N ATOM 0 H ASN A 60 11.599 4.954 2.210 1.00 12.38 H new ATOM 0 HA ASN A 60 13.016 3.366 2.688 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.524 4.010 5.615 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.981 3.335 4.913 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.048 6.488 3.264 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.959 4.762 2.895 1.00 24.09 H new ATOM 962 N ILE A 61 10.842 1.558 2.832 1.00 11.08 N ATOM 963 CA ILE A 61 10.224 0.275 2.991 1.00 11.78 C ATOM 964 C ILE A 61 11.096 -0.813 2.497 1.00 13.74 C ATOM 965 O ILE A 61 11.399 -0.892 1.300 1.00 14.60 O ATOM 966 CB ILE A 61 8.865 0.288 2.320 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.983 1.290 3.136 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.240 -1.112 2.458 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.648 1.596 2.446 1.00 11.42 C ATOM 0 H ILE A 61 10.514 2.080 2.019 1.00 11.08 H new ATOM 0 HA ILE A 61 10.076 0.074 4.052 1.00 11.78 H new ATOM 0 HB ILE A 61 8.938 0.565 1.268 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.790 0.876 4.126 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.534 2.219 3.281 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.260 -1.122 1.980 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.885 -1.847 1.978 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.131 -1.359 3.514 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.076 2.296 3.055 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.837 2.037 1.467 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.081 0.673 2.325 1.00 11.42 H new ATOM 981 N GLN A 62 11.550 -1.702 3.440 1.00 13.97 N ATOM 982 CA GLN A 62 12.505 -2.701 3.077 1.00 15.52 C ATOM 983 C GLN A 62 11.879 -3.960 2.685 1.00 13.94 C ATOM 984 O GLN A 62 10.655 -4.160 2.759 1.00 12.15 O ATOM 985 CB GLN A 62 13.570 -2.876 4.193 1.00 19.53 C ATOM 986 CG GLN A 62 14.347 -1.581 4.521 1.00 26.38 C ATOM 987 CD GLN A 62 15.237 -1.544 5.835 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.361 -1.092 5.903 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.620 -2.054 6.974 1.00 32.71 N ATOM 0 H GLN A 62 11.256 -1.716 4.417 1.00 13.97 H new ATOM 0 HA GLN A 62 13.026 -2.351 2.185 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.079 -3.233 5.098 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.278 -3.647 3.889 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.997 -1.361 3.674 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.624 -0.768 4.587 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.675 -2.434 6.915 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.113 -2.048 7.867 1.00 32.71 H new ATOM 998 N LYS A 63 12.708 -4.964 2.175 1.00 11.73 N ATOM 999 CA LYS A 63 12.188 -6.217 1.833 1.00 11.97 C ATOM 1000 C LYS A 63 11.578 -6.959 3.045 1.00 10.41 C ATOM 1001 O LYS A 63 12.086 -6.883 4.162 1.00 9.59 O ATOM 1002 CB LYS A 63 13.371 -7.002 1.158 1.00 13.73 C ATOM 1003 CG LYS A 63 14.609 -7.251 2.008 1.00 16.98 C ATOM 1004 CD LYS A 63 15.749 -8.091 1.231 1.00 20.19 C ATOM 1005 CE LYS A 63 16.825 -8.602 2.205 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.463 -7.565 2.945 1.00 25.97 N ATOM 0 H LYS A 63 13.711 -4.860 2.021 1.00 11.73 H new ATOM 0 HA LYS A 63 11.349 -6.121 1.144 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.990 -7.967 0.824 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.677 -6.454 0.267 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.023 -6.294 2.326 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.321 -7.789 2.911 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.293 -8.935 0.713 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.212 -7.463 0.470 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.368 -9.306 2.901 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.579 -9.153 1.643 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.253 -7.964 3.491 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.824 -6.843 2.290 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.778 -7.130 3.595 1.00 25.97 H new ATOM 1020 N GLU A 64 10.471 -7.630 2.791 1.00 10.04 N ATOM 1021 CA GLU A 64 9.656 -8.313 3.810 1.00 10.94 C ATOM 1022 C GLU A 64 9.080 -7.403 4.904 1.00 9.74 C ATOM 1023 O GLU A 64 9.010 -7.771 6.088 1.00 9.42 O ATOM 1024 CB GLU A 64 10.389 -9.580 4.324 1.00 18.31 C ATOM 1025 CG GLU A 64 10.766 -10.589 3.236 1.00 24.16 C ATOM 1026 CD GLU A 64 11.621 -11.709 3.795 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.121 -12.446 4.703 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.799 -11.803 3.367 1.00 32.61 O ATOM 0 H GLU A 64 10.093 -7.725 1.848 1.00 10.04 H new ATOM 0 HA GLU A 64 8.744 -8.649 3.317 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.296 -9.272 4.844 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.754 -10.078 5.057 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.861 -11.006 2.794 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.306 -10.081 2.437 1.00 24.16 H new ATOM 1035 N SER A 65 8.850 -6.106 4.592 1.00 6.85 N ATOM 1036 CA SER A 65 8.137 -5.166 5.522 1.00 6.90 C ATOM 1037 C SER A 65 6.639 -5.393 5.350 1.00 4.72 C ATOM 1038 O SER A 65 6.197 -5.936 4.315 1.00 3.91 O ATOM 1039 CB SER A 65 8.572 -3.670 5.420 1.00 7.28 C ATOM 1040 OG SER A 65 8.037 -2.928 6.489 1.00 10.56 O ATOM 0 H SER A 65 9.141 -5.678 3.713 1.00 6.85 H new ATOM 0 HA SER A 65 8.431 -5.402 6.545 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.660 -3.600 5.429 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.233 -3.250 4.473 1.00 7.28 H new ATOM 0 HG SER A 65 8.318 -1.992 6.411 1.00 10.56 H new ATOM 1046 N THR A 66 5.892 -4.957 6.359 1.00 4.48 N ATOM 1047 CA THR A 66 4.498 -5.224 6.560 1.00 3.80 C ATOM 1048 C THR A 66 3.762 -3.924 6.633 1.00 4.60 C ATOM 1049 O THR A 66 3.820 -3.181 7.614 1.00 5.33 O ATOM 1050 CB THR A 66 4.026 -6.044 7.798 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.831 -7.173 7.872 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.611 -6.524 7.744 1.00 3.40 C ATOM 0 H THR A 66 6.282 -4.372 7.098 1.00 4.48 H new ATOM 0 HA THR A 66 4.283 -5.867 5.706 1.00 3.80 H new ATOM 0 HB THR A 66 4.096 -5.374 8.655 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.564 -7.715 8.643 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.382 -7.083 8.651 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.940 -5.669 7.665 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.479 -7.170 6.876 1.00 3.40 H new ATOM 1060 N LEU A 67 2.970 -3.639 5.569 1.00 4.17 N ATOM 1061 CA LEU A 67 2.158 -2.436 5.329 1.00 3.85 C ATOM 1062 C LEU A 67 0.725 -2.539 5.795 1.00 3.80 C ATOM 1063 O LEU A 67 0.104 -3.549 5.675 1.00 5.54 O ATOM 1064 CB LEU A 67 2.250 -1.974 3.810 1.00 7.18 C ATOM 1065 CG LEU A 67 3.727 -1.867 3.290 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.686 -1.208 1.778 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.683 -0.987 4.167 1.00 11.66 C ATOM 0 H LEU A 67 2.881 -4.302 4.799 1.00 4.17 H new ATOM 0 HA LEU A 67 2.599 -1.662 5.957 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.702 -2.681 3.187 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.761 -1.006 3.700 1.00 7.18 H new ATOM 0 HG LEU A 67 4.131 -2.879 3.319 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.701 -1.122 1.391 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.099 -1.847 1.118 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.230 -0.219 1.824 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.678 -0.978 3.723 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.298 0.031 4.216 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.739 -1.402 5.173 1.00 11.66 H new ATOM 1079 N HIS A 68 0.076 -1.503 6.238 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.297 -1.465 6.663 1.00 4.17 C ATOM 1081 C HIS A 68 -2.261 -0.957 5.604 1.00 5.32 C ATOM 1082 O HIS A 68 -2.333 0.275 5.329 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.507 -0.617 7.930 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.675 -1.060 9.036 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.659 -0.718 9.168 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.908 -1.879 10.112 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.169 -1.294 10.267 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.242 -1.994 10.904 1.00 16.30 N ATOM 0 H HIS A 68 0.526 -0.591 6.319 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.521 -2.512 6.869 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.285 0.426 7.707 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.555 -0.663 8.226 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.177 -0.118 8.526 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.848 -2.368 10.320 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.196 -1.200 10.589 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.024 -1.895 4.975 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.997 -1.446 3.981 1.00 3.97 C ATOM 1098 C LEU A 69 -5.232 -0.983 4.779 1.00 5.07 C ATOM 1099 O LEU A 69 -5.872 -1.760 5.453 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.275 -2.570 2.886 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.417 -2.312 1.870 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.090 -1.099 0.968 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.778 -3.606 1.040 1.00 9.96 C ATOM 0 H LEU A 69 -2.980 -2.901 5.135 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.634 -0.611 3.382 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.354 -2.728 2.324 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.493 -3.502 3.408 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.314 -2.061 2.435 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.906 -0.939 0.264 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.964 -0.210 1.586 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.169 -1.292 0.418 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.583 -3.377 0.341 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.900 -3.940 0.486 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.100 -4.396 1.719 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.707 0.289 4.621 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.846 0.865 5.234 1.00 6.26 C ATOM 1117 C VAL A 70 -7.739 1.470 4.134 1.00 9.22 C ATOM 1118 O VAL A 70 -7.283 1.625 2.965 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.456 1.908 6.251 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.130 1.233 7.621 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.204 2.661 5.830 1.00 8.54 C ATOM 0 H VAL A 70 -5.235 0.952 4.006 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.397 0.093 5.772 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.300 2.594 6.332 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.850 1.997 8.346 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.008 0.697 7.980 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.304 0.533 7.494 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -4.954 3.404 6.588 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -4.376 1.960 5.723 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.383 3.160 4.878 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.012 1.831 4.480 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.931 2.297 3.442 1.00 16.06 C ATOM 1133 C LEU A 71 -10.316 3.785 3.443 1.00 18.09 C ATOM 1134 O LEU A 71 -10.214 4.513 4.438 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.161 1.389 3.250 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.883 0.102 2.428 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.184 -0.690 2.325 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.364 0.323 0.989 1.00 19.57 C ATOM 0 H LEU A 71 -9.394 1.805 5.426 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.298 2.206 2.560 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.544 1.104 4.230 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.946 1.960 2.754 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.088 -0.416 2.964 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.011 -1.600 1.750 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.530 -0.952 3.325 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.940 -0.084 1.826 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.204 -0.642 0.508 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.098 0.894 0.421 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.423 0.872 1.022 1.00 19.57 H new