USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 126:sc= 0.843 USER MOD Set 1.2: A 57 SER OG : rot -80:sc= 0.868 USER MOD Set 2.1: A 22 THR OG1 : rot -48:sc= 0.26 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.646 K(o=0.91,f=-4.6!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 170:sc= 1.03 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 170:sc= 0.879 USER MOD Single : A 1 MET CE :methyl -165:sc= 0 (180deg=-0.202) USER MOD Single : A 1 MET N :NH3+ 179:sc= 2.45 (180deg=2.38) USER MOD Single : A 2 GLN : amide:sc= -0.0177 X(o=-0.018,f=0.05) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 1.21 (180deg=0.194) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0556 USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= 1.21 (180deg=1.08) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0.826 (180deg=0.826) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 33 LYS NZ :NH3+ 148:sc= 0.39 (180deg=0.0612) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 41 GLN : amide:sc= 0.656 K(o=0.66,f=-5.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 59 TYR OH : rot 90:sc=-0.00369 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= 1.11 (180deg=-0.767) USER MOD Single : A 65 SER OG : rot 85:sc= 0.973 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.187 -7.078 -5.018 1.00 9.67 N ATOM 2 CA MET A 1 11.131 -7.511 -3.651 1.00 10.38 C ATOM 3 C MET A 1 9.802 -7.644 -3.100 1.00 9.62 C ATOM 4 O MET A 1 8.803 -7.231 -3.715 1.00 9.62 O ATOM 5 CB MET A 1 11.966 -6.538 -2.804 1.00 13.77 C ATOM 6 CG MET A 1 11.430 -5.076 -2.653 1.00 16.29 C ATOM 7 SD MET A 1 12.382 -3.916 -1.492 1.00 17.17 S ATOM 8 CE MET A 1 11.208 -2.513 -1.421 1.00 16.11 C ATOM 0 H1 MET A 1 12.180 -6.997 -5.316 1.00 9.67 H new ATOM 0 H2 MET A 1 10.700 -7.771 -5.622 1.00 9.67 H new ATOM 0 H3 MET A 1 10.722 -6.152 -5.108 1.00 9.67 H new ATOM 0 HA MET A 1 11.536 -8.523 -3.627 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.070 -6.964 -1.806 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.966 -6.488 -3.235 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.410 -4.620 -3.643 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.398 -5.129 -2.305 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.710 -1.639 -1.007 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.852 -2.285 -2.426 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.361 -2.779 -0.788 1.00 16.11 H new ATOM 20 N GLN A 2 9.664 -8.352 -1.957 1.00 9.27 N ATOM 21 CA GLN A 2 8.431 -8.659 -1.325 1.00 9.07 C ATOM 22 C GLN A 2 8.033 -7.622 -0.285 1.00 8.72 C ATOM 23 O GLN A 2 8.874 -7.146 0.399 1.00 8.22 O ATOM 24 CB GLN A 2 8.474 -10.105 -0.736 1.00 14.46 C ATOM 25 CG GLN A 2 7.155 -10.793 -0.503 1.00 17.01 C ATOM 26 CD GLN A 2 7.304 -12.316 -0.591 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.324 -13.135 0.286 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.361 -12.764 -1.858 1.00 19.49 N ATOM 0 H GLN A 2 10.467 -8.727 -1.453 1.00 9.27 H new ATOM 0 HA GLN A 2 7.649 -8.625 -2.083 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.065 -10.726 -1.409 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.008 -10.067 0.214 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.766 -10.519 0.478 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.428 -10.452 -1.241 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.347 -12.102 -2.634 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.419 -13.765 -2.043 1.00 19.49 H new ATOM 37 N ILE A 3 6.777 -7.280 -0.188 1.00 5.87 N ATOM 38 CA ILE A 3 6.236 -6.669 1.026 1.00 5.07 C ATOM 39 C ILE A 3 4.894 -7.338 1.303 1.00 4.01 C ATOM 40 O ILE A 3 4.319 -7.961 0.439 1.00 4.61 O ATOM 41 CB ILE A 3 5.972 -5.129 1.025 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.904 -4.677 -0.033 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.326 -4.393 0.930 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.364 -3.181 0.172 1.00 10.83 C ATOM 0 H ILE A 3 6.093 -7.410 -0.934 1.00 5.87 H new ATOM 0 HA ILE A 3 7.017 -6.818 1.772 1.00 5.07 H new ATOM 0 HB ILE A 3 5.503 -4.846 1.967 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.339 -4.761 -1.029 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.059 -5.364 0.005 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.156 -3.316 0.928 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.947 -4.661 1.785 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.833 -4.681 0.009 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.631 -2.950 -0.601 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.897 -3.094 1.153 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.197 -2.481 0.103 1.00 10.83 H new ATOM 56 N PHE A 4 4.409 -7.222 2.520 1.00 4.55 N ATOM 57 CA PHE A 4 3.172 -7.755 2.961 1.00 4.68 C ATOM 58 C PHE A 4 2.325 -6.566 3.214 1.00 5.30 C ATOM 59 O PHE A 4 2.758 -5.596 3.830 1.00 5.58 O ATOM 60 CB PHE A 4 3.240 -8.565 4.288 1.00 4.83 C ATOM 61 CG PHE A 4 4.204 -9.716 3.982 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.890 -10.808 3.130 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.521 -9.691 4.452 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.871 -11.761 2.762 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.509 -10.604 4.067 1.00 10.61 C ATOM 66 CZ PHE A 4 6.150 -11.707 3.298 1.00 8.90 C ATOM 0 H PHE A 4 4.907 -6.723 3.257 1.00 4.55 H new ATOM 0 HA PHE A 4 2.807 -8.452 2.207 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.604 -7.950 5.111 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.257 -8.936 4.578 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.883 -10.914 2.755 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.792 -8.919 5.156 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.621 -12.539 2.056 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.537 -10.455 4.363 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.854 -12.507 3.122 1.00 8.90 H new ATOM 76 N VAL A 5 1.072 -6.556 2.717 1.00 4.44 N ATOM 77 CA VAL A 5 0.134 -5.532 3.004 1.00 3.87 C ATOM 78 C VAL A 5 -0.985 -6.176 3.805 1.00 4.93 C ATOM 79 O VAL A 5 -1.553 -7.176 3.403 1.00 6.84 O ATOM 80 CB VAL A 5 -0.423 -4.777 1.782 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.494 -3.727 2.227 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.736 -4.193 0.985 1.00 9.13 C ATOM 0 H VAL A 5 0.710 -7.283 2.100 1.00 4.44 H new ATOM 0 HA VAL A 5 0.653 -4.752 3.561 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.951 -5.457 1.114 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.876 -3.203 1.351 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.315 -4.236 2.732 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.038 -3.009 2.909 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.348 -3.657 0.119 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.300 -3.505 1.614 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.390 -4.998 0.651 1.00 9.13 H new ATOM 92 N LYS A 6 -1.210 -5.705 5.051 1.00 6.04 N ATOM 93 CA LYS A 6 -2.119 -6.329 5.948 1.00 6.12 C ATOM 94 C LYS A 6 -3.447 -5.546 5.982 1.00 6.57 C ATOM 95 O LYS A 6 -3.508 -4.297 5.948 1.00 5.76 O ATOM 96 CB LYS A 6 -1.395 -6.295 7.306 1.00 7.45 C ATOM 97 CG LYS A 6 -2.141 -7.082 8.372 1.00 11.12 C ATOM 98 CD LYS A 6 -2.026 -8.577 8.331 1.00 14.54 C ATOM 99 CE LYS A 6 -0.643 -9.009 8.787 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.530 -10.489 8.872 1.00 20.55 N ATOM 0 H LYS A 6 -0.750 -4.879 5.433 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.380 -7.347 5.661 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.391 -6.703 7.191 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.284 -5.261 7.631 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.791 -6.744 9.347 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.198 -6.823 8.305 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.785 -9.025 8.972 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.212 -8.936 7.319 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.105 -8.626 8.093 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.428 -8.571 9.762 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.465 -10.753 9.020 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.102 -10.836 9.668 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.874 -10.915 7.988 1.00 20.55 H new ATOM 114 N THR A 7 -4.586 -6.284 6.048 1.00 7.41 N ATOM 115 CA THR A 7 -5.926 -5.606 6.020 1.00 7.48 C ATOM 116 C THR A 7 -6.655 -5.611 7.294 1.00 8.75 C ATOM 117 O THR A 7 -6.279 -6.257 8.269 1.00 8.58 O ATOM 118 CB THR A 7 -6.787 -6.047 4.877 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.436 -7.259 5.162 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.010 -6.220 3.633 1.00 9.17 C ATOM 0 H THR A 7 -4.616 -7.301 6.118 1.00 7.41 H new ATOM 0 HA THR A 7 -5.675 -4.559 5.848 1.00 7.48 H new ATOM 0 HB THR A 7 -7.524 -5.256 4.734 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.992 -7.520 4.398 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.674 -6.540 2.831 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.543 -5.273 3.361 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.238 -6.974 3.788 1.00 9.17 H new ATOM 128 N LEU A 8 -7.736 -4.814 7.420 1.00 9.84 N ATOM 129 CA LEU A 8 -8.601 -4.683 8.590 1.00 14.15 C ATOM 130 C LEU A 8 -9.270 -5.985 8.966 1.00 17.37 C ATOM 131 O LEU A 8 -9.493 -6.283 10.143 1.00 17.01 O ATOM 132 CB LEU A 8 -9.632 -3.546 8.323 1.00 16.63 C ATOM 133 CG LEU A 8 -9.003 -2.133 8.017 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.926 -1.287 7.136 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.597 -1.484 9.334 1.00 18.59 C ATOM 0 H LEU A 8 -8.039 -4.211 6.655 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.990 -4.419 9.453 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.261 -3.837 7.481 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.284 -3.456 9.192 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.096 -2.235 7.421 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.461 -0.320 6.945 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.097 -1.800 6.190 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.878 -1.138 7.645 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.160 -0.505 9.138 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.476 -1.368 9.969 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.865 -2.114 9.839 1.00 18.59 H new ATOM 147 N THR A 9 -9.515 -6.810 7.950 1.00 18.33 N ATOM 148 CA THR A 9 -10.228 -8.095 8.183 1.00 19.24 C ATOM 149 C THR A 9 -9.215 -9.237 8.345 1.00 19.48 C ATOM 150 O THR A 9 -9.473 -10.440 8.258 1.00 23.14 O ATOM 151 CB THR A 9 -11.240 -8.435 7.091 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.606 -8.334 5.822 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.261 -7.306 7.117 1.00 19.70 C ATOM 0 H THR A 9 -9.246 -6.634 6.982 1.00 18.33 H new ATOM 0 HA THR A 9 -10.800 -7.971 9.103 1.00 19.24 H new ATOM 0 HB THR A 9 -11.660 -9.429 7.245 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.250 -8.553 5.116 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.021 -7.485 6.356 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.733 -7.265 8.098 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.761 -6.359 6.915 1.00 19.70 H new ATOM 161 N GLY A 10 -7.920 -8.790 8.441 1.00 19.43 N ATOM 162 CA GLY A 10 -6.786 -9.605 8.874 1.00 18.74 C ATOM 163 C GLY A 10 -6.043 -10.240 7.748 1.00 17.62 C ATOM 164 O GLY A 10 -5.016 -10.891 7.971 1.00 19.74 O ATOM 0 H GLY A 10 -7.655 -7.832 8.210 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.099 -8.982 9.446 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.145 -10.384 9.547 1.00 18.74 H new ATOM 168 N LYS A 11 -6.497 -10.068 6.501 1.00 13.56 N ATOM 169 CA LYS A 11 -5.816 -10.660 5.329 1.00 11.91 C ATOM 170 C LYS A 11 -4.418 -10.206 5.027 1.00 10.18 C ATOM 171 O LYS A 11 -4.050 -9.067 5.150 1.00 9.10 O ATOM 172 CB LYS A 11 -6.717 -10.778 4.087 1.00 13.43 C ATOM 173 CG LYS A 11 -6.284 -11.855 3.104 1.00 16.69 C ATOM 174 CD LYS A 11 -7.225 -11.928 1.806 1.00 17.92 C ATOM 175 CE LYS A 11 -6.649 -12.821 0.759 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.532 -12.986 -0.410 1.00 21.93 N ATOM 0 H LYS A 11 -7.330 -9.526 6.271 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.631 -11.675 5.679 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.737 -10.985 4.410 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.735 -9.817 3.572 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.257 -11.664 2.792 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.290 -12.822 3.606 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.212 -12.291 2.092 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.360 -10.927 1.397 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.692 -12.415 0.430 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.447 -13.799 1.195 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.966 -13.267 -1.236 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.240 -13.721 -0.210 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.014 -12.087 -0.610 1.00 21.93 H new ATOM 190 N THR A 12 -3.479 -11.062 4.522 1.00 9.63 N ATOM 191 CA THR A 12 -2.085 -10.692 4.307 1.00 9.85 C ATOM 192 C THR A 12 -1.917 -10.752 2.809 1.00 11.66 C ATOM 193 O THR A 12 -1.975 -11.842 2.231 1.00 12.33 O ATOM 194 CB THR A 12 -1.084 -11.630 5.047 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.437 -11.782 6.470 1.00 10.91 O ATOM 196 CG2 THR A 12 0.282 -10.976 4.801 1.00 9.63 C ATOM 0 H THR A 12 -3.690 -12.025 4.259 1.00 9.63 H new ATOM 0 HA THR A 12 -1.862 -9.706 4.715 1.00 9.85 H new ATOM 0 HB THR A 12 -1.094 -12.656 4.680 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.894 -12.495 6.867 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.060 -11.566 5.286 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.476 -10.930 3.729 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.282 -9.967 5.213 1.00 9.63 H new ATOM 204 N ILE A 13 -1.802 -9.636 2.169 1.00 10.42 N ATOM 205 CA ILE A 13 -1.509 -9.477 0.781 1.00 11.84 C ATOM 206 C ILE A 13 -0.037 -9.603 0.700 1.00 10.55 C ATOM 207 O ILE A 13 0.709 -8.880 1.355 1.00 11.92 O ATOM 208 CB ILE A 13 -2.063 -8.183 0.216 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.424 -7.884 0.841 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.214 -8.487 -1.310 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.016 -6.518 0.308 1.00 16.46 C ATOM 0 H ILE A 13 -1.920 -8.739 2.640 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.994 -10.228 0.158 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.431 -7.318 0.414 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.116 -8.695 0.615 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.326 -7.841 1.926 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.611 -7.609 -1.818 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.240 -8.739 -1.729 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.896 -9.326 -1.448 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.985 -6.335 0.773 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.335 -5.704 0.557 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.137 -6.571 -0.774 1.00 16.46 H new ATOM 223 N THR A 14 0.460 -10.425 -0.182 1.00 9.39 N ATOM 224 CA THR A 14 1.883 -10.473 -0.508 1.00 9.63 C ATOM 225 C THR A 14 2.070 -9.854 -1.887 1.00 11.20 C ATOM 226 O THR A 14 1.297 -10.188 -2.762 1.00 11.63 O ATOM 227 CB THR A 14 2.481 -11.854 -0.517 1.00 10.38 C ATOM 228 OG1 THR A 14 1.991 -12.680 0.551 1.00 16.30 O ATOM 229 CG2 THR A 14 3.967 -11.932 -0.738 1.00 11.66 C ATOM 0 H THR A 14 -0.106 -11.092 -0.707 1.00 9.39 H new ATOM 0 HA THR A 14 2.402 -9.926 0.279 1.00 9.63 H new ATOM 0 HB THR A 14 2.100 -12.298 -1.437 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.409 -13.565 0.499 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.283 -12.975 -0.724 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.215 -11.491 -1.703 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.482 -11.387 0.053 1.00 11.66 H new ATOM 237 N LEU A 15 3.046 -8.978 -2.055 1.00 8.29 N ATOM 238 CA LEU A 15 3.138 -8.192 -3.252 1.00 9.03 C ATOM 239 C LEU A 15 4.526 -8.207 -3.842 1.00 8.59 C ATOM 240 O LEU A 15 5.488 -8.702 -3.277 1.00 7.79 O ATOM 241 CB LEU A 15 2.631 -6.785 -3.155 1.00 11.08 C ATOM 242 CG LEU A 15 1.222 -6.605 -2.655 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.960 -5.132 -2.336 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.116 -7.159 -3.623 1.00 15.27 C ATOM 0 H LEU A 15 3.782 -8.800 -1.371 1.00 8.29 H new ATOM 0 HA LEU A 15 2.449 -8.699 -3.928 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.299 -6.228 -2.498 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.702 -6.329 -4.143 1.00 11.08 H new ATOM 0 HG LEU A 15 1.148 -7.206 -1.749 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.062 -5.014 -1.975 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.657 -4.797 -1.568 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.098 -4.534 -3.237 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.868 -6.989 -3.186 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.181 -6.645 -4.582 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.266 -8.228 -3.773 1.00 15.27 H new ATOM 256 N GLU A 16 4.733 -7.917 -5.164 1.00 11.04 N ATOM 257 CA GLU A 16 6.031 -7.809 -5.731 1.00 11.50 C ATOM 258 C GLU A 16 6.192 -6.412 -6.174 1.00 10.13 C ATOM 259 O GLU A 16 5.510 -5.898 -7.070 1.00 9.83 O ATOM 260 CB GLU A 16 6.183 -8.839 -6.831 1.00 17.22 C ATOM 261 CG GLU A 16 7.522 -8.731 -7.517 1.00 23.33 C ATOM 262 CD GLU A 16 8.833 -8.990 -6.744 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.938 -9.889 -5.891 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.813 -8.329 -7.065 1.00 28.90 O ATOM 0 H GLU A 16 3.976 -7.759 -5.830 1.00 11.04 H new ATOM 0 HA GLU A 16 6.828 -8.026 -5.020 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.069 -9.839 -6.412 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.387 -8.708 -7.564 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.506 -9.422 -8.360 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.589 -7.725 -7.931 1.00 23.33 H new ATOM 271 N VAL A 17 7.158 -5.748 -5.515 1.00 8.99 N ATOM 272 CA VAL A 17 7.446 -4.362 -5.740 1.00 8.85 C ATOM 273 C VAL A 17 8.902 -4.185 -6.013 1.00 8.04 C ATOM 274 O VAL A 17 9.748 -4.983 -5.611 1.00 8.99 O ATOM 275 CB VAL A 17 7.055 -3.490 -4.610 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.563 -3.526 -4.437 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.828 -3.975 -3.328 1.00 10.54 C ATOM 0 H VAL A 17 7.753 -6.182 -4.810 1.00 8.99 H new ATOM 0 HA VAL A 17 6.850 -4.060 -6.601 1.00 8.85 H new ATOM 0 HB VAL A 17 7.323 -2.450 -4.798 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.278 -2.883 -3.604 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.082 -3.173 -5.349 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.245 -4.548 -4.232 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.556 -3.347 -2.480 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.562 -5.010 -3.113 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.902 -3.905 -3.502 1.00 10.54 H new ATOM 287 N GLU A 18 9.250 -3.051 -6.718 1.00 7.29 N ATOM 288 CA GLU A 18 10.609 -2.499 -6.756 1.00 7.08 C ATOM 289 C GLU A 18 10.732 -1.368 -5.853 1.00 6.45 C ATOM 290 O GLU A 18 9.668 -0.838 -5.522 1.00 5.28 O ATOM 291 CB GLU A 18 11.049 -2.135 -8.167 1.00 10.28 C ATOM 292 CG GLU A 18 11.107 -3.411 -9.056 1.00 12.65 C ATOM 293 CD GLU A 18 12.228 -4.324 -8.657 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.176 -3.968 -7.958 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.150 -5.508 -9.155 1.00 14.33 O ATOM 0 H GLU A 18 8.579 -2.513 -7.267 1.00 7.29 H new ATOM 0 HA GLU A 18 11.284 -3.283 -6.414 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.355 -1.414 -8.598 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.028 -1.657 -8.139 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.160 -3.946 -8.984 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.230 -3.121 -10.099 1.00 12.65 H new ATOM 302 N PRO A 19 11.859 -0.898 -5.402 1.00 7.24 N ATOM 303 CA PRO A 19 11.906 0.317 -4.579 1.00 7.07 C ATOM 304 C PRO A 19 11.493 1.575 -5.251 1.00 6.65 C ATOM 305 O PRO A 19 11.238 2.618 -4.613 1.00 6.37 O ATOM 306 CB PRO A 19 13.354 0.409 -4.201 1.00 7.61 C ATOM 307 CG PRO A 19 13.870 -1.077 -4.162 1.00 8.16 C ATOM 308 CD PRO A 19 13.030 -1.795 -5.243 1.00 7.49 C ATOM 0 HA PRO A 19 11.197 0.229 -3.756 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.913 1.000 -4.927 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.477 0.893 -3.232 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.936 -1.135 -4.382 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.722 -1.525 -3.179 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.583 -1.907 -6.176 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.733 -2.795 -4.926 1.00 7.49 H new ATOM 316 N SER A 20 11.471 1.526 -6.575 1.00 6.80 N ATOM 317 CA SER A 20 11.098 2.595 -7.487 1.00 6.28 C ATOM 318 C SER A 20 9.650 2.586 -7.863 1.00 8.45 C ATOM 319 O SER A 20 9.098 3.498 -8.418 1.00 7.26 O ATOM 320 CB SER A 20 11.943 2.471 -8.763 1.00 8.57 C ATOM 321 OG SER A 20 12.001 1.067 -9.193 1.00 11.13 O ATOM 0 H SER A 20 11.732 0.676 -7.075 1.00 6.80 H new ATOM 0 HA SER A 20 11.282 3.535 -6.967 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.513 3.085 -9.555 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.950 2.846 -8.580 1.00 8.57 H new ATOM 0 HG SER A 20 12.540 0.997 -10.008 1.00 11.13 H new ATOM 327 N ASP A 21 8.867 1.568 -7.391 1.00 7.50 N ATOM 328 CA ASP A 21 7.408 1.656 -7.401 1.00 7.70 C ATOM 329 C ASP A 21 6.981 2.662 -6.436 1.00 7.08 C ATOM 330 O ASP A 21 7.585 2.948 -5.376 1.00 8.11 O ATOM 331 CB ASP A 21 6.678 0.316 -7.076 1.00 11.00 C ATOM 332 CG ASP A 21 6.732 -0.645 -8.246 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.386 -0.172 -9.356 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.077 -1.852 -8.081 1.00 18.03 O ATOM 0 H ASP A 21 9.234 0.697 -7.008 1.00 7.50 H new ATOM 0 HA ASP A 21 7.132 1.922 -8.421 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.137 -0.147 -6.202 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.638 0.520 -6.819 1.00 11.00 H new ATOM 339 N THR A 22 5.836 3.323 -6.758 1.00 5.37 N ATOM 340 CA THR A 22 5.102 4.226 -5.893 1.00 6.01 C ATOM 341 C THR A 22 4.019 3.554 -5.175 1.00 8.01 C ATOM 342 O THR A 22 3.562 2.467 -5.617 1.00 8.11 O ATOM 343 CB THR A 22 4.468 5.520 -6.530 1.00 8.92 C ATOM 344 OG1 THR A 22 3.471 5.154 -7.456 1.00 10.22 O ATOM 345 CG2 THR A 22 5.531 6.339 -7.236 1.00 9.65 C ATOM 0 H THR A 22 5.398 3.221 -7.674 1.00 5.37 H new ATOM 0 HA THR A 22 5.912 4.558 -5.244 1.00 6.01 H new ATOM 0 HB THR A 22 4.029 6.120 -5.733 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.818 4.459 -8.053 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.076 7.229 -7.670 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.297 6.636 -6.520 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.985 5.742 -8.026 1.00 9.65 H new ATOM 353 N ILE A 23 3.463 4.246 -4.223 1.00 8.32 N ATOM 354 CA ILE A 23 2.270 3.783 -3.507 1.00 9.92 C ATOM 355 C ILE A 23 1.079 3.586 -4.437 1.00 10.01 C ATOM 356 O ILE A 23 0.372 2.582 -4.314 1.00 8.71 O ATOM 357 CB ILE A 23 1.836 4.801 -2.422 1.00 10.78 C ATOM 358 CG1 ILE A 23 2.969 5.365 -1.480 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.685 4.241 -1.496 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.820 4.204 -0.888 1.00 12.30 C ATOM 0 H ILE A 23 3.811 5.151 -3.907 1.00 8.32 H new ATOM 0 HA ILE A 23 2.550 2.831 -3.057 1.00 9.92 H new ATOM 0 HB ILE A 23 1.493 5.633 -3.037 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.611 6.044 -2.041 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.522 5.944 -0.672 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.418 4.992 -0.753 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.188 4.005 -2.104 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.031 3.339 -0.991 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.596 4.614 -0.241 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.178 3.541 -0.308 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.284 3.642 -1.699 1.00 12.30 H new ATOM 372 N GLU A 24 0.906 4.509 -5.408 1.00 9.54 N ATOM 373 CA GLU A 24 -0.148 4.333 -6.467 1.00 11.81 C ATOM 374 C GLU A 24 0.140 3.072 -7.301 1.00 11.14 C ATOM 375 O GLU A 24 -0.814 2.440 -7.733 1.00 10.62 O ATOM 376 CB GLU A 24 0.093 5.546 -7.432 1.00 19.24 C ATOM 377 CG GLU A 24 -1.017 5.788 -8.453 1.00 27.76 C ATOM 378 CD GLU A 24 -0.820 7.021 -9.427 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.186 7.108 -10.163 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.770 7.857 -9.436 1.00 36.51 O ATOM 0 H GLU A 24 1.457 5.363 -5.493 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.146 4.265 -6.033 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.218 6.448 -6.833 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.029 5.385 -7.967 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.127 4.888 -9.058 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.954 5.925 -7.913 1.00 27.76 H new ATOM 387 N ASN A 25 1.379 2.637 -7.557 1.00 9.43 N ATOM 388 CA ASN A 25 1.629 1.316 -8.142 1.00 10.96 C ATOM 389 C ASN A 25 1.286 0.096 -7.226 1.00 9.68 C ATOM 390 O ASN A 25 0.807 -0.940 -7.635 1.00 9.33 O ATOM 391 CB ASN A 25 3.087 1.107 -8.615 1.00 16.78 C ATOM 392 CG ASN A 25 3.524 2.131 -9.657 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.369 2.963 -9.430 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.009 2.027 -10.891 1.00 24.70 N ATOM 0 H ASN A 25 2.222 3.179 -7.369 1.00 9.43 H new ATOM 0 HA ASN A 25 0.941 1.334 -8.987 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.754 1.163 -7.755 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.188 0.105 -9.032 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.331 2.649 -11.632 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.295 1.326 -11.088 1.00 24.70 H new ATOM 401 N VAL A 26 1.478 0.206 -5.911 1.00 6.52 N ATOM 402 CA VAL A 26 1.081 -0.756 -4.947 1.00 5.53 C ATOM 403 C VAL A 26 -0.420 -1.004 -4.933 1.00 4.42 C ATOM 404 O VAL A 26 -0.898 -2.131 -4.869 1.00 3.40 O ATOM 405 CB VAL A 26 1.652 -0.505 -3.534 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.088 -1.505 -2.529 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.227 -0.450 -3.630 1.00 8.12 C ATOM 0 H VAL A 26 1.938 1.016 -5.495 1.00 6.52 H new ATOM 0 HA VAL A 26 1.543 -1.685 -5.282 1.00 5.53 H new ATOM 0 HB VAL A 26 1.333 0.461 -3.143 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.507 -1.305 -1.543 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.003 -1.408 -2.489 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.351 -2.517 -2.836 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.646 -0.273 -2.639 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.601 -1.397 -4.018 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.523 0.358 -4.299 1.00 8.12 H new ATOM 417 N LYS A 27 -1.261 0.059 -4.911 1.00 2.64 N ATOM 418 CA LYS A 27 -2.676 0.074 -4.988 1.00 4.14 C ATOM 419 C LYS A 27 -3.158 -0.685 -6.186 1.00 5.58 C ATOM 420 O LYS A 27 -4.036 -1.565 -6.237 1.00 4.11 O ATOM 421 CB LYS A 27 -3.264 1.461 -4.988 1.00 3.97 C ATOM 422 CG LYS A 27 -3.146 2.255 -3.656 1.00 7.45 C ATOM 423 CD LYS A 27 -3.667 3.680 -3.674 1.00 9.02 C ATOM 424 CE LYS A 27 -3.238 4.483 -2.394 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.937 5.711 -2.207 1.00 15.47 N ATOM 0 H LYS A 27 -0.890 1.006 -4.830 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.025 -0.417 -4.080 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.780 2.039 -5.776 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.319 1.386 -5.250 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.681 1.705 -2.881 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.096 2.278 -3.363 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.295 4.190 -4.563 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.755 3.667 -3.745 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.392 3.854 -1.517 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.170 4.692 -2.452 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.976 5.937 -1.193 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.442 6.473 -2.713 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.904 5.620 -2.579 1.00 15.47 H new ATOM 439 N ALA A 28 -2.334 -0.508 -7.304 1.00 6.61 N ATOM 440 CA ALA A 28 -2.578 -1.175 -8.534 1.00 7.74 C ATOM 441 C ALA A 28 -2.450 -2.652 -8.548 1.00 9.17 C ATOM 442 O ALA A 28 -3.254 -3.408 -9.077 1.00 11.45 O ATOM 443 CB ALA A 28 -1.649 -0.604 -9.578 1.00 7.68 C ATOM 0 H ALA A 28 -1.516 0.101 -7.314 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.634 -0.996 -8.734 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.821 -1.104 -10.531 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.839 0.464 -9.689 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.615 -0.759 -9.269 1.00 7.68 H new ATOM 449 N LYS A 29 -1.379 -3.136 -7.920 1.00 8.96 N ATOM 450 CA LYS A 29 -1.030 -4.515 -7.578 1.00 7.90 C ATOM 451 C LYS A 29 -2.105 -5.147 -6.565 1.00 6.92 C ATOM 452 O LYS A 29 -2.642 -6.292 -6.720 1.00 6.87 O ATOM 453 CB LYS A 29 0.375 -4.633 -6.922 1.00 10.28 C ATOM 454 CG LYS A 29 1.500 -4.139 -7.897 1.00 14.94 C ATOM 455 CD LYS A 29 2.870 -3.820 -7.247 1.00 19.69 C ATOM 456 CE LYS A 29 3.954 -3.390 -8.265 1.00 22.63 C ATOM 457 NZ LYS A 29 4.292 -4.482 -9.170 1.00 24.98 N ATOM 0 H LYS A 29 -0.651 -2.497 -7.602 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.025 -5.061 -8.522 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.401 -4.045 -6.005 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.562 -5.670 -6.642 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.651 -4.901 -8.661 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.144 -3.243 -8.406 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.738 -3.026 -6.512 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.220 -4.699 -6.706 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.598 -2.535 -8.840 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.848 -3.066 -7.733 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.021 -4.164 -9.841 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.654 -5.288 -8.621 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.443 -4.774 -9.694 1.00 24.98 H new ATOM 471 N ILE A 30 -2.613 -4.326 -5.585 1.00 4.57 N ATOM 472 CA ILE A 30 -3.681 -4.740 -4.598 1.00 5.58 C ATOM 473 C ILE A 30 -5.051 -4.944 -5.255 1.00 7.26 C ATOM 474 O ILE A 30 -5.697 -5.931 -4.975 1.00 9.46 O ATOM 475 CB ILE A 30 -3.776 -3.902 -3.398 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.458 -3.889 -2.538 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.955 -4.405 -2.483 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.266 -2.772 -1.516 1.00 2.00 C ATOM 0 H ILE A 30 -2.298 -3.365 -5.455 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.337 -5.710 -4.239 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.953 -2.887 -3.754 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.400 -4.839 -2.006 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.613 -3.857 -3.226 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.019 -3.777 -1.594 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.893 -4.349 -3.035 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.770 -5.437 -2.186 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.311 -2.905 -1.007 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.275 -1.808 -2.025 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.074 -2.805 -0.785 1.00 2.00 H new ATOM 490 N GLN A 31 -5.524 -4.130 -6.214 1.00 7.06 N ATOM 491 CA GLN A 31 -6.703 -4.293 -7.005 1.00 8.67 C ATOM 492 C GLN A 31 -6.693 -5.638 -7.821 1.00 10.90 C ATOM 493 O GLN A 31 -7.688 -6.298 -7.931 1.00 9.63 O ATOM 494 CB GLN A 31 -6.854 -3.046 -7.986 1.00 9.12 C ATOM 495 CG GLN A 31 -8.289 -3.072 -8.746 1.00 10.76 C ATOM 496 CD GLN A 31 -8.738 -1.950 -9.665 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.700 -1.260 -9.403 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.029 -1.625 -10.775 1.00 14.76 N ATOM 0 H GLN A 31 -5.029 -3.272 -6.458 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.558 -4.341 -6.331 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.755 -2.120 -7.420 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.049 -3.058 -8.721 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.315 -3.989 -9.335 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.051 -3.168 -7.973 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -7.211 -2.176 -11.037 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.314 -0.830 -11.347 1.00 14.76 H new ATOM 507 N ASP A 32 -5.483 -5.992 -8.337 1.00 10.93 N ATOM 508 CA ASP A 32 -5.141 -7.198 -9.050 1.00 14.01 C ATOM 509 C ASP A 32 -5.230 -8.435 -8.211 1.00 14.04 C ATOM 510 O ASP A 32 -5.822 -9.451 -8.639 1.00 13.39 O ATOM 511 CB ASP A 32 -3.779 -6.973 -9.747 1.00 18.01 C ATOM 512 CG ASP A 32 -3.461 -8.004 -10.799 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.359 -8.254 -11.723 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.324 -8.518 -10.891 1.00 25.17 O ATOM 0 H ASP A 32 -4.677 -5.374 -8.243 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.886 -7.396 -9.820 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.774 -5.984 -10.206 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.990 -6.979 -8.995 1.00 18.01 H new ATOM 519 N LYS A 33 -4.718 -8.423 -6.939 1.00 14.22 N ATOM 520 CA LYS A 33 -4.940 -9.487 -5.969 1.00 14.00 C ATOM 521 C LYS A 33 -6.324 -9.491 -5.329 1.00 12.37 C ATOM 522 O LYS A 33 -7.065 -10.531 -5.429 1.00 12.17 O ATOM 523 CB LYS A 33 -3.992 -9.267 -4.811 1.00 18.62 C ATOM 524 CG LYS A 33 -2.502 -9.301 -5.298 1.00 24.00 C ATOM 525 CD LYS A 33 -1.824 -10.608 -4.887 1.00 27.61 C ATOM 526 CE LYS A 33 -0.445 -10.800 -5.444 1.00 27.64 C ATOM 527 NZ LYS A 33 0.142 -12.005 -4.820 1.00 30.06 N ATOM 0 H LYS A 33 -4.141 -7.662 -6.581 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.803 -10.416 -6.522 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.203 -8.307 -4.339 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.150 -10.036 -4.055 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.467 -9.194 -6.382 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.958 -8.456 -4.876 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.771 -10.647 -3.799 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.449 -11.442 -5.206 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.485 -10.914 -6.527 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.173 -9.926 -5.238 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.781 -12.470 -5.496 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.676 -11.731 -3.971 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.618 -12.663 -4.553 1.00 30.06 H new ATOM 541 N GLU A 34 -6.816 -8.377 -4.798 1.00 10.11 N ATOM 542 CA GLU A 34 -8.009 -8.398 -3.952 1.00 10.07 C ATOM 543 C GLU A 34 -9.309 -7.777 -4.449 1.00 9.32 C ATOM 544 O GLU A 34 -10.356 -7.775 -3.775 1.00 11.61 O ATOM 545 CB GLU A 34 -7.748 -7.901 -2.501 1.00 14.77 C ATOM 546 CG GLU A 34 -6.592 -8.651 -1.796 1.00 18.75 C ATOM 547 CD GLU A 34 -6.905 -10.104 -1.707 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.006 -10.491 -1.235 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.079 -10.922 -2.107 1.00 21.95 O ATOM 0 H GLU A 34 -6.411 -7.451 -4.936 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.198 -9.471 -3.993 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.519 -6.835 -2.525 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.659 -8.019 -1.915 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.663 -8.504 -2.347 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.438 -8.242 -0.797 1.00 18.75 H new ATOM 556 N GLY A 35 -9.286 -7.066 -5.553 1.00 7.22 N ATOM 557 CA GLY A 35 -10.454 -6.442 -6.109 1.00 6.29 C ATOM 558 C GLY A 35 -10.875 -5.168 -5.387 1.00 6.93 C ATOM 559 O GLY A 35 -12.049 -4.767 -5.446 1.00 7.41 O ATOM 0 H GLY A 35 -8.438 -6.905 -6.096 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.266 -6.209 -7.157 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.280 -7.152 -6.084 1.00 6.29 H new ATOM 563 N ILE A 36 -9.965 -4.433 -4.708 1.00 5.86 N ATOM 564 CA ILE A 36 -10.270 -3.222 -3.931 1.00 6.07 C ATOM 565 C ILE A 36 -9.889 -2.052 -4.766 1.00 6.36 C ATOM 566 O ILE A 36 -8.707 -1.850 -5.044 1.00 6.18 O ATOM 567 CB ILE A 36 -9.528 -3.146 -2.601 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.655 -4.468 -1.840 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.200 -2.002 -1.836 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.742 -4.518 -0.595 1.00 9.49 C ATOM 0 H ILE A 36 -8.975 -4.677 -4.688 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.332 -3.237 -3.688 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.460 -2.970 -2.733 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.691 -4.610 -1.534 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.403 -5.294 -2.506 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.721 -1.883 -0.864 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.102 -1.077 -2.404 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.256 -2.230 -1.694 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.868 -5.475 -0.089 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.702 -4.404 -0.901 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.010 -3.710 0.086 1.00 9.49 H new ATOM 582 N PRO A 37 -10.818 -1.157 -5.169 1.00 8.65 N ATOM 583 CA PRO A 37 -10.616 0.136 -5.827 1.00 9.18 C ATOM 584 C PRO A 37 -9.455 0.938 -5.212 1.00 9.85 C ATOM 585 O PRO A 37 -9.551 1.272 -4.014 1.00 8.51 O ATOM 586 CB PRO A 37 -11.976 0.860 -5.617 1.00 11.42 C ATOM 587 CG PRO A 37 -12.896 -0.275 -5.824 1.00 9.27 C ATOM 588 CD PRO A 37 -12.225 -1.376 -5.024 1.00 8.33 C ATOM 0 HA PRO A 37 -10.341 0.025 -6.876 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.068 1.297 -4.623 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.137 1.665 -6.335 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.900 -0.059 -5.458 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.991 -0.536 -6.878 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.522 -1.335 -3.976 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.509 -2.360 -5.397 1.00 8.33 H new ATOM 596 N PRO A 38 -8.418 1.276 -5.952 1.00 8.71 N ATOM 597 CA PRO A 38 -7.378 2.166 -5.454 1.00 9.08 C ATOM 598 C PRO A 38 -7.877 3.475 -4.970 1.00 9.28 C ATOM 599 O PRO A 38 -7.133 4.056 -4.152 1.00 6.50 O ATOM 600 CB PRO A 38 -6.515 2.355 -6.650 1.00 10.31 C ATOM 601 CG PRO A 38 -6.668 1.051 -7.380 1.00 10.81 C ATOM 602 CD PRO A 38 -8.112 0.734 -7.265 1.00 12.00 C ATOM 0 HA PRO A 38 -6.878 1.742 -4.583 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.843 3.199 -7.256 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.478 2.545 -6.374 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.362 1.140 -8.422 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.053 0.270 -6.933 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.700 1.206 -8.052 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.304 -0.337 -7.322 1.00 12.00 H new ATOM 610 N ASP A 39 -9.038 3.939 -5.354 1.00 11.20 N ATOM 611 CA ASP A 39 -9.625 5.131 -4.619 1.00 14.96 C ATOM 612 C ASP A 39 -10.167 4.792 -3.157 1.00 13.99 C ATOM 613 O ASP A 39 -10.226 5.707 -2.305 1.00 13.75 O ATOM 614 CB ASP A 39 -10.781 5.793 -5.403 1.00 24.16 C ATOM 615 CG ASP A 39 -10.286 6.276 -6.760 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.261 6.989 -6.775 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.933 6.021 -7.807 1.00 34.22 O ATOM 0 H ASP A 39 -9.601 3.567 -6.119 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.782 5.816 -4.529 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.595 5.080 -5.537 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.183 6.632 -4.834 1.00 24.16 H new ATOM 622 N GLN A 40 -10.575 3.532 -2.899 1.00 11.60 N ATOM 623 CA GLN A 40 -11.007 3.102 -1.600 1.00 10.76 C ATOM 624 C GLN A 40 -9.679 2.949 -0.781 1.00 8.01 C ATOM 625 O GLN A 40 -9.708 3.288 0.383 1.00 8.96 O ATOM 626 CB GLN A 40 -11.737 1.754 -1.574 1.00 11.14 C ATOM 627 CG GLN A 40 -13.217 1.819 -2.048 1.00 14.85 C ATOM 628 CD GLN A 40 -13.899 0.501 -1.842 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.314 -0.540 -1.473 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.244 0.522 -2.004 1.00 18.16 N ATOM 0 H GLN A 40 -10.605 2.798 -3.606 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.724 3.824 -1.210 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.196 1.049 -2.205 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.710 1.359 -0.559 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.746 2.597 -1.498 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.254 2.092 -3.103 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.708 1.379 -2.306 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.793 -0.319 -1.824 1.00 18.16 H new ATOM 639 N GLN A 41 -8.605 2.541 -1.413 1.00 6.52 N ATOM 640 CA GLN A 41 -7.378 2.232 -0.645 1.00 3.87 C ATOM 641 C GLN A 41 -6.545 3.366 -0.107 1.00 4.79 C ATOM 642 O GLN A 41 -6.278 4.329 -0.780 1.00 6.34 O ATOM 643 CB GLN A 41 -6.492 1.191 -1.410 1.00 4.20 C ATOM 644 CG GLN A 41 -6.984 -0.181 -1.974 1.00 3.20 C ATOM 645 CD GLN A 41 -5.865 -0.611 -2.941 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.689 -0.550 -2.569 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.150 -1.080 -4.174 1.00 7.13 N ATOM 0 H GLN A 41 -8.533 2.412 -2.422 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.787 1.812 0.274 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.072 1.728 -2.260 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.665 0.957 -0.740 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.126 -0.912 -1.178 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.940 -0.081 -2.489 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.119 -1.133 -4.488 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.396 -1.381 -4.792 1.00 7.13 H new ATOM 656 N ARG A 42 -5.995 3.155 1.126 1.00 5.73 N ATOM 657 CA ARG A 42 -5.032 4.016 1.683 1.00 6.97 C ATOM 658 C ARG A 42 -3.978 3.292 2.491 1.00 7.15 C ATOM 659 O ARG A 42 -4.280 2.233 2.984 1.00 7.33 O ATOM 660 CB ARG A 42 -5.671 5.161 2.512 1.00 13.23 C ATOM 661 CG ARG A 42 -6.538 6.062 1.687 1.00 21.27 C ATOM 662 CD ARG A 42 -6.684 7.470 2.196 1.00 26.14 C ATOM 663 NE ARG A 42 -7.276 8.290 1.106 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.979 9.583 0.903 1.00 34.32 C ATOM 665 NH1 ARG A 42 -6.444 10.409 1.809 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.386 10.023 -0.278 1.00 36.39 N ATOM 0 H ARG A 42 -6.241 2.366 1.724 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.524 4.464 0.829 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.265 4.731 3.318 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.881 5.751 2.977 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.132 6.101 0.676 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.530 5.616 1.616 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.322 7.492 3.080 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.715 7.871 2.492 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.945 7.845 0.478 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.228 10.068 2.746 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -6.252 11.380 1.563 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.869 9.393 -0.918 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.217 10.992 -0.547 1.00 36.39 H new ATOM 680 N LEU A 43 -2.755 3.766 2.552 1.00 4.65 N ATOM 681 CA LEU A 43 -1.684 2.957 3.105 1.00 3.51 C ATOM 682 C LEU A 43 -0.915 3.577 4.196 1.00 5.56 C ATOM 683 O LEU A 43 -0.807 4.775 4.220 1.00 4.19 O ATOM 684 CB LEU A 43 -0.660 2.393 2.008 1.00 3.74 C ATOM 685 CG LEU A 43 -1.269 1.297 1.086 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.354 0.945 -0.048 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.563 0.001 1.809 1.00 6.41 C ATOM 0 H LEU A 43 -2.475 4.693 2.232 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.245 2.127 3.534 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.311 3.221 1.391 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.213 1.983 2.516 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.196 1.742 0.725 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.819 0.177 -0.666 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.166 1.832 -0.653 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.589 0.570 0.349 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.985 -0.719 1.108 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.640 -0.399 2.228 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.276 0.186 2.613 1.00 6.41 H new ATOM 699 N ILE A 44 -0.536 2.715 5.184 1.00 4.58 N ATOM 700 CA ILE A 44 0.084 3.154 6.409 1.00 5.55 C ATOM 701 C ILE A 44 1.338 2.358 6.730 1.00 5.46 C ATOM 702 O ILE A 44 1.334 1.145 6.444 1.00 6.04 O ATOM 703 CB ILE A 44 -0.985 3.148 7.564 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.121 4.159 7.189 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.275 3.579 8.861 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.116 4.520 8.282 1.00 13.90 C ATOM 0 H ILE A 44 -0.664 1.705 5.126 1.00 4.58 H new ATOM 0 HA ILE A 44 0.434 4.180 6.292 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.426 2.161 7.703 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.653 5.080 6.840 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.678 3.746 6.348 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.991 3.585 9.683 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.529 2.879 9.086 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.140 4.579 8.734 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.847 5.227 7.889 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.627 3.619 8.620 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.587 4.973 9.120 1.00 13.90 H new ATOM 718 N PHE A 45 2.473 2.959 7.133 1.00 6.75 N ATOM 719 CA PHE A 45 3.686 2.297 7.535 1.00 4.70 C ATOM 720 C PHE A 45 4.204 3.002 8.798 1.00 6.34 C ATOM 721 O PHE A 45 4.288 4.211 8.913 1.00 5.45 O ATOM 722 CB PHE A 45 4.761 2.546 6.396 1.00 5.51 C ATOM 723 CG PHE A 45 6.167 1.969 6.609 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.307 0.566 6.624 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.261 2.820 6.426 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.561 0.015 6.710 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.554 2.228 6.488 1.00 6.64 C ATOM 728 CZ PHE A 45 8.741 0.851 6.680 1.00 6.84 C ATOM 0 H PHE A 45 2.552 3.975 7.183 1.00 6.75 H new ATOM 0 HA PHE A 45 3.516 1.234 7.708 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.367 2.136 5.466 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.857 3.622 6.254 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.435 -0.069 6.568 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.131 3.877 6.246 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.668 -1.056 6.801 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.422 2.862 6.383 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.729 0.431 6.801 1.00 6.84 H new ATOM 738 N ALA A 46 4.580 2.231 9.830 1.00 6.53 N ATOM 739 CA ALA A 46 5.032 2.694 11.143 1.00 7.15 C ATOM 740 C ALA A 46 4.259 3.821 11.759 1.00 9.00 C ATOM 741 O ALA A 46 4.776 4.801 12.260 1.00 11.15 O ATOM 742 CB ALA A 46 6.598 2.797 11.108 1.00 8.99 C ATOM 0 H ALA A 46 4.575 1.213 9.763 1.00 6.53 H new ATOM 0 HA ALA A 46 4.775 1.950 11.897 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.962 3.141 12.076 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.022 1.817 10.888 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.899 3.505 10.335 1.00 8.99 H new ATOM 748 N GLY A 47 2.916 3.687 11.727 1.00 9.35 N ATOM 749 CA GLY A 47 1.918 4.672 12.205 1.00 11.68 C ATOM 750 C GLY A 47 1.513 5.724 11.297 1.00 11.14 C ATOM 751 O GLY A 47 0.660 6.558 11.619 1.00 13.93 O ATOM 0 H GLY A 47 2.475 2.849 11.349 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.024 4.124 12.502 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.317 5.142 13.104 1.00 11.68 H new ATOM 755 N LYS A 48 2.210 5.859 10.156 1.00 10.47 N ATOM 756 CA LYS A 48 2.158 7.053 9.293 1.00 8.82 C ATOM 757 C LYS A 48 1.616 6.796 7.842 1.00 7.68 C ATOM 758 O LYS A 48 2.143 5.952 7.086 1.00 6.47 O ATOM 759 CB LYS A 48 3.634 7.631 9.212 1.00 9.74 C ATOM 760 CG LYS A 48 3.835 8.806 8.218 1.00 14.14 C ATOM 761 CD LYS A 48 5.205 9.475 8.369 1.00 16.32 C ATOM 762 CE LYS A 48 5.472 10.713 7.464 1.00 20.04 C ATOM 763 NZ LYS A 48 4.543 11.903 7.662 1.00 23.92 N ATOM 0 H LYS A 48 2.833 5.133 9.802 1.00 10.47 H new ATOM 0 HA LYS A 48 1.449 7.750 9.739 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.931 7.964 10.207 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.308 6.821 8.932 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.725 8.438 7.198 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.053 9.548 8.375 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.324 9.779 9.409 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.974 8.730 8.165 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.496 11.046 7.632 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.407 10.397 6.423 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.813 12.666 7.009 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.563 11.614 7.470 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.618 12.243 8.642 1.00 23.92 H new ATOM 777 N GLN A 49 0.561 7.570 7.464 1.00 8.89 N ATOM 778 CA GLN A 49 -0.137 7.514 6.148 1.00 7.18 C ATOM 779 C GLN A 49 0.704 7.933 4.972 1.00 8.23 C ATOM 780 O GLN A 49 1.494 8.888 4.986 1.00 9.70 O ATOM 781 CB GLN A 49 -1.480 8.178 6.300 1.00 11.67 C ATOM 782 CG GLN A 49 -2.444 7.879 5.128 1.00 15.82 C ATOM 783 CD GLN A 49 -3.753 8.566 5.084 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.113 9.117 4.075 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.583 8.409 6.157 1.00 20.67 N ATOM 0 H GLN A 49 0.160 8.272 8.086 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.322 6.476 5.870 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.938 7.847 7.232 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.338 9.256 6.379 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.919 8.112 4.202 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.635 6.806 5.125 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.247 7.938 6.997 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.539 8.763 6.119 1.00 20.67 H new ATOM 794 N LEU A 50 0.556 7.226 3.877 1.00 6.51 N ATOM 795 CA LEU A 50 1.397 7.268 2.642 1.00 7.41 C ATOM 796 C LEU A 50 0.549 7.745 1.497 1.00 8.27 C ATOM 797 O LEU A 50 -0.545 7.203 1.228 1.00 8.34 O ATOM 798 CB LEU A 50 1.937 5.846 2.290 1.00 7.13 C ATOM 799 CG LEU A 50 2.555 4.996 3.449 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.141 3.692 2.856 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.682 5.741 4.223 1.00 9.11 C ATOM 0 H LEU A 50 -0.202 6.549 3.791 1.00 6.51 H new ATOM 0 HA LEU A 50 2.239 7.938 2.816 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.117 5.274 1.855 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.695 5.957 1.515 1.00 7.13 H new ATOM 0 HG LEU A 50 1.753 4.793 4.159 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.575 3.091 3.656 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.348 3.126 2.367 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.913 3.939 2.128 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.068 5.097 5.013 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.489 5.995 3.536 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.279 6.653 4.663 1.00 9.11 H new ATOM 813 N GLU A 51 1.063 8.826 0.777 1.00 9.43 N ATOM 814 CA GLU A 51 0.373 9.431 -0.383 1.00 11.90 C ATOM 815 C GLU A 51 0.947 8.857 -1.647 1.00 11.49 C ATOM 816 O GLU A 51 2.015 8.340 -1.674 1.00 9.88 O ATOM 817 CB GLU A 51 0.427 10.973 -0.370 1.00 16.56 C ATOM 818 CG GLU A 51 1.867 11.629 -0.288 1.00 26.06 C ATOM 819 CD GLU A 51 1.858 13.124 0.083 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.714 13.372 1.288 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.961 14.051 -0.737 1.00 32.13 O ATOM 0 H GLU A 51 1.952 9.273 1.003 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.686 9.181 -0.325 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -0.064 11.339 -1.272 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.158 11.328 0.478 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.460 11.087 0.449 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.365 11.508 -1.250 1.00 26.06 H new ATOM 828 N ASP A 52 0.031 8.963 -2.645 1.00 12.71 N ATOM 829 CA ASP A 52 0.070 8.171 -3.866 1.00 16.56 C ATOM 830 C ASP A 52 1.235 8.268 -4.770 1.00 15.83 C ATOM 831 O ASP A 52 1.852 7.295 -5.095 1.00 17.21 O ATOM 832 CB ASP A 52 -1.230 8.514 -4.683 1.00 21.05 C ATOM 833 CG ASP A 52 -2.515 8.454 -3.871 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.792 9.503 -3.235 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.234 7.469 -3.956 1.00 25.82 O ATOM 0 H ASP A 52 -0.756 9.611 -2.608 1.00 12.71 H new ATOM 0 HA ASP A 52 0.150 7.146 -3.504 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.127 9.514 -5.104 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.311 7.822 -5.521 1.00 21.05 H new ATOM 840 N GLY A 53 1.718 9.509 -5.028 1.00 15.00 N ATOM 841 CA GLY A 53 2.839 9.835 -5.891 1.00 11.77 C ATOM 842 C GLY A 53 4.215 9.577 -5.319 1.00 11.10 C ATOM 843 O GLY A 53 5.220 10.059 -5.907 1.00 11.25 O ATOM 0 H GLY A 53 1.301 10.340 -4.609 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.739 9.264 -6.814 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.771 10.889 -6.159 1.00 11.77 H new ATOM 847 N ARG A 54 4.293 8.834 -4.241 1.00 8.53 N ATOM 848 CA ARG A 54 5.573 8.595 -3.615 1.00 9.05 C ATOM 849 C ARG A 54 6.164 7.222 -3.658 1.00 8.96 C ATOM 850 O ARG A 54 5.461 6.236 -3.434 1.00 11.60 O ATOM 851 CB ARG A 54 5.489 9.033 -2.104 1.00 7.97 C ATOM 852 CG ARG A 54 4.868 10.411 -1.749 1.00 9.62 C ATOM 853 CD ARG A 54 5.641 11.638 -2.117 1.00 12.20 C ATOM 854 NE ARG A 54 4.841 12.848 -1.673 1.00 18.23 N ATOM 855 CZ ARG A 54 5.437 13.945 -1.196 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.768 14.009 -1.117 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.651 14.956 -0.856 1.00 23.38 N ATOM 0 H ARG A 54 3.497 8.389 -3.783 1.00 8.53 H new ATOM 0 HA ARG A 54 6.250 9.185 -4.233 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.921 8.270 -1.572 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.501 9.015 -1.700 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.892 10.473 -2.230 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.695 10.434 -0.673 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.619 11.631 -1.636 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.815 11.670 -3.193 1.00 12.20 H new ATOM 0 HE ARG A 54 3.824 12.824 -1.740 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.336 13.218 -1.422 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.217 14.849 -0.752 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.640 14.875 -0.964 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.057 15.816 -0.487 1.00 23.38 H new ATOM 871 N THR A 55 7.433 7.134 -3.969 1.00 9.05 N ATOM 872 CA THR A 55 8.113 5.856 -4.137 1.00 9.03 C ATOM 873 C THR A 55 8.359 5.193 -2.827 1.00 8.15 C ATOM 874 O THR A 55 8.402 5.828 -1.770 1.00 5.91 O ATOM 875 CB THR A 55 9.442 5.843 -4.819 1.00 11.15 C ATOM 876 OG1 THR A 55 10.418 6.755 -4.329 1.00 11.95 O ATOM 877 CG2 THR A 55 9.124 6.228 -6.332 1.00 11.71 C ATOM 0 H THR A 55 8.034 7.945 -4.115 1.00 9.05 H new ATOM 0 HA THR A 55 7.403 5.345 -4.787 1.00 9.03 H new ATOM 0 HB THR A 55 9.886 4.861 -4.655 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.236 6.267 -4.099 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.050 6.242 -6.906 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.443 5.492 -6.759 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.661 7.214 -6.367 1.00 11.71 H new ATOM 885 N LEU A 56 8.420 3.833 -2.835 1.00 6.91 N ATOM 886 CA LEU A 56 8.739 2.992 -1.729 1.00 8.29 C ATOM 887 C LEU A 56 10.075 3.457 -1.130 1.00 8.05 C ATOM 888 O LEU A 56 10.205 3.495 0.063 1.00 10.17 O ATOM 889 CB LEU A 56 8.679 1.471 -2.138 1.00 6.60 C ATOM 890 CG LEU A 56 7.259 1.053 -2.546 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.231 -0.423 -2.918 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.164 1.275 -1.506 1.00 8.64 C ATOM 0 H LEU A 56 8.230 3.297 -3.682 1.00 6.91 H new ATOM 0 HA LEU A 56 7.994 3.081 -0.938 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.365 1.288 -2.965 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.015 0.855 -1.304 1.00 6.60 H new ATOM 0 HG LEU A 56 7.033 1.712 -3.385 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.219 -0.707 -3.205 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.908 -0.601 -3.753 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.546 -1.020 -2.062 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.207 0.942 -1.908 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.397 0.706 -0.606 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.105 2.335 -1.260 1.00 8.64 H new ATOM 904 N SER A 57 11.115 3.756 -1.897 1.00 8.92 N ATOM 905 CA SER A 57 12.344 4.470 -1.455 1.00 9.00 C ATOM 906 C SER A 57 12.251 5.767 -0.726 1.00 9.44 C ATOM 907 O SER A 57 12.907 6.017 0.292 1.00 10.91 O ATOM 908 CB SER A 57 13.307 4.531 -2.632 1.00 10.32 C ATOM 909 OG SER A 57 12.759 5.192 -3.752 1.00 13.59 O ATOM 0 H SER A 57 11.144 3.506 -2.885 1.00 8.92 H new ATOM 0 HA SER A 57 12.707 3.858 -0.629 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.219 5.043 -2.324 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.591 3.518 -2.917 1.00 10.32 H new ATOM 0 HG SER A 57 12.177 4.576 -4.243 1.00 13.59 H new ATOM 915 N ASP A 58 11.300 6.616 -1.028 1.00 9.11 N ATOM 916 CA ASP A 58 11.042 7.838 -0.291 1.00 7.91 C ATOM 917 C ASP A 58 10.442 7.714 1.186 1.00 9.12 C ATOM 918 O ASP A 58 10.576 8.687 1.947 1.00 8.61 O ATOM 919 CB ASP A 58 10.149 8.725 -1.169 1.00 8.41 C ATOM 920 CG ASP A 58 10.167 10.188 -0.767 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.318 10.700 -0.622 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.106 10.799 -0.523 1.00 11.70 O ATOM 0 H ASP A 58 10.664 6.476 -1.814 1.00 9.11 H new ATOM 0 HA ASP A 58 12.024 8.269 -0.094 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.471 8.637 -2.207 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.125 8.356 -1.121 1.00 8.41 H new ATOM 927 N TYR A 59 9.758 6.583 1.474 1.00 7.97 N ATOM 928 CA TYR A 59 9.237 6.376 2.821 1.00 8.45 C ATOM 929 C TYR A 59 10.094 5.392 3.609 1.00 10.98 C ATOM 930 O TYR A 59 9.638 4.922 4.638 1.00 12.95 O ATOM 931 CB TYR A 59 7.826 5.835 2.627 1.00 7.94 C ATOM 932 CG TYR A 59 6.861 6.949 2.436 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.609 7.802 3.523 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.014 7.001 1.276 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.586 8.735 3.463 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.943 7.905 1.262 1.00 6.52 C ATOM 937 CZ TYR A 59 4.728 8.814 2.366 1.00 6.76 C ATOM 938 OH TYR A 59 3.780 9.869 2.154 1.00 7.63 O ATOM 0 H TYR A 59 9.565 5.832 0.811 1.00 7.97 H new ATOM 0 HA TYR A 59 9.244 7.302 3.396 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.800 5.172 1.762 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.536 5.240 3.493 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.217 7.730 4.413 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.199 6.355 0.430 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.449 9.419 4.287 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.271 7.923 0.417 1.00 6.52 H new ATOM 0 HH TYR A 59 4.202 10.590 1.642 1.00 7.63 H new ATOM 948 N ASN A 60 11.337 5.080 3.081 1.00 12.38 N ATOM 949 CA ASN A 60 12.174 4.044 3.761 1.00 13.94 C ATOM 950 C ASN A 60 11.510 2.681 3.897 1.00 14.16 C ATOM 951 O ASN A 60 11.615 2.092 4.968 1.00 14.26 O ATOM 952 CB ASN A 60 12.749 4.609 5.129 1.00 19.23 C ATOM 953 CG ASN A 60 13.760 5.729 4.869 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.470 5.835 3.840 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.859 6.698 5.841 1.00 24.09 N ATOM 0 H ASN A 60 11.747 5.503 2.248 1.00 12.38 H new ATOM 0 HA ASN A 60 13.017 3.840 3.101 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.932 4.985 5.745 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.226 3.804 5.689 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.500 7.482 5.716 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.291 6.633 6.686 1.00 24.09 H new ATOM 962 N ILE A 61 10.822 2.139 2.853 1.00 11.08 N ATOM 963 CA ILE A 61 10.136 0.853 2.880 1.00 11.78 C ATOM 964 C ILE A 61 11.032 -0.164 2.290 1.00 13.74 C ATOM 965 O ILE A 61 11.233 -0.247 1.099 1.00 14.60 O ATOM 966 CB ILE A 61 8.745 0.828 2.223 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.693 1.774 2.831 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.233 -0.629 2.151 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.529 2.116 1.895 1.00 11.42 C ATOM 0 H ILE A 61 10.738 2.612 1.953 1.00 11.08 H new ATOM 0 HA ILE A 61 9.922 0.633 3.926 1.00 11.78 H new ATOM 0 HB ILE A 61 8.888 1.231 1.220 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.293 1.318 3.736 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.185 2.699 3.131 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.248 -0.646 1.685 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.924 -1.229 1.559 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.166 -1.041 3.158 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.837 2.786 2.405 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.914 2.604 0.999 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.007 1.201 1.614 1.00 11.42 H new ATOM 981 N GLN A 62 11.600 -1.011 3.148 1.00 13.97 N ATOM 982 CA GLN A 62 12.419 -2.168 2.772 1.00 15.52 C ATOM 983 C GLN A 62 11.619 -3.399 2.444 1.00 13.94 C ATOM 984 O GLN A 62 10.443 -3.575 2.687 1.00 12.15 O ATOM 985 CB GLN A 62 13.442 -2.437 3.863 1.00 19.53 C ATOM 986 CG GLN A 62 14.265 -1.178 4.234 1.00 26.38 C ATOM 987 CD GLN A 62 15.376 -1.536 5.230 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.182 -2.208 6.266 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.575 -1.029 4.952 1.00 32.71 N ATOM 0 H GLN A 62 11.501 -0.909 4.158 1.00 13.97 H new ATOM 0 HA GLN A 62 12.931 -1.915 1.844 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.931 -2.807 4.752 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.119 -3.225 3.534 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.701 -0.743 3.335 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.610 -0.423 4.667 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.713 -0.483 4.101 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.356 -1.186 5.590 1.00 32.71 H new ATOM 998 N LYS A 63 12.355 -4.435 2.047 1.00 11.73 N ATOM 999 CA LYS A 63 11.851 -5.811 1.815 1.00 11.97 C ATOM 1000 C LYS A 63 11.280 -6.476 3.041 1.00 10.41 C ATOM 1001 O LYS A 63 11.785 -6.399 4.150 1.00 9.59 O ATOM 1002 CB LYS A 63 13.066 -6.623 1.320 1.00 13.73 C ATOM 1003 CG LYS A 63 14.304 -6.575 2.211 1.00 16.98 C ATOM 1004 CD LYS A 63 15.453 -7.429 1.622 1.00 20.19 C ATOM 1005 CE LYS A 63 15.300 -8.944 1.615 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.145 -9.347 3.026 1.00 25.97 N ATOM 0 H LYS A 63 13.356 -4.349 1.868 1.00 11.73 H new ATOM 0 HA LYS A 63 11.028 -5.767 1.101 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.762 -7.664 1.208 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.341 -6.263 0.329 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.635 -5.542 2.322 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.052 -6.938 3.207 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.612 -7.107 0.593 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.361 -7.190 2.175 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.433 -9.245 1.026 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.171 -9.421 1.167 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.852 -10.073 3.259 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.282 -8.519 3.641 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.191 -9.733 3.174 1.00 25.97 H new ATOM 1020 N GLU A 64 10.106 -7.108 2.828 1.00 10.04 N ATOM 1021 CA GLU A 64 9.416 -7.943 3.816 1.00 10.94 C ATOM 1022 C GLU A 64 8.846 -7.089 4.957 1.00 9.74 C ATOM 1023 O GLU A 64 8.559 -7.605 6.060 1.00 9.42 O ATOM 1024 CB GLU A 64 10.245 -9.187 4.419 1.00 18.31 C ATOM 1025 CG GLU A 64 10.871 -10.125 3.393 1.00 24.16 C ATOM 1026 CD GLU A 64 12.037 -10.962 3.927 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.813 -11.635 4.967 1.00 31.72 O ATOM 1028 OE2 GLU A 64 13.148 -11.001 3.289 1.00 32.61 O ATOM 0 H GLU A 64 9.606 -7.046 1.941 1.00 10.04 H new ATOM 0 HA GLU A 64 8.616 -8.405 3.238 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.037 -8.796 5.058 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.579 -9.768 5.057 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.100 -10.797 3.016 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.221 -9.535 2.546 1.00 24.16 H new ATOM 1035 N SER A 65 8.509 -5.857 4.685 1.00 6.85 N ATOM 1036 CA SER A 65 7.768 -4.929 5.566 1.00 6.90 C ATOM 1037 C SER A 65 6.309 -5.386 5.758 1.00 4.72 C ATOM 1038 O SER A 65 5.810 -6.042 4.871 1.00 3.91 O ATOM 1039 CB SER A 65 7.726 -3.489 5.045 1.00 7.28 C ATOM 1040 OG SER A 65 9.049 -2.906 5.059 1.00 10.56 O ATOM 0 H SER A 65 8.749 -5.426 3.792 1.00 6.85 H new ATOM 0 HA SER A 65 8.317 -4.947 6.507 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.327 -3.475 4.031 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.053 -2.893 5.661 1.00 7.28 H new ATOM 0 HG SER A 65 9.521 -3.146 4.234 1.00 10.56 H new ATOM 1046 N THR A 66 5.626 -5.060 6.837 1.00 4.48 N ATOM 1047 CA THR A 66 4.197 -5.196 6.926 1.00 3.80 C ATOM 1048 C THR A 66 3.715 -3.726 6.700 1.00 4.60 C ATOM 1049 O THR A 66 3.938 -2.886 7.523 1.00 5.33 O ATOM 1050 CB THR A 66 3.567 -5.699 8.224 1.00 2.85 C ATOM 1051 OG1 THR A 66 3.993 -7.001 8.475 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.030 -5.686 8.024 1.00 3.40 C ATOM 0 H THR A 66 6.058 -4.689 7.683 1.00 4.48 H new ATOM 0 HA THR A 66 3.897 -5.971 6.220 1.00 3.80 H new ATOM 0 HB THR A 66 3.855 -5.069 9.066 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.590 -7.322 9.309 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.542 -6.040 8.932 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.700 -4.670 7.807 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.766 -6.339 7.192 1.00 3.40 H new ATOM 1060 N LEU A 67 2.910 -3.562 5.649 1.00 4.17 N ATOM 1061 CA LEU A 67 2.179 -2.315 5.333 1.00 3.85 C ATOM 1062 C LEU A 67 0.749 -2.445 5.858 1.00 3.80 C ATOM 1063 O LEU A 67 0.266 -3.589 6.059 1.00 5.54 O ATOM 1064 CB LEU A 67 2.174 -1.818 3.914 1.00 7.18 C ATOM 1065 CG LEU A 67 3.250 -0.725 3.574 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.716 -1.050 3.997 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.124 -0.287 2.101 1.00 11.66 C ATOM 0 H LEU A 67 2.738 -4.305 4.972 1.00 4.17 H new ATOM 0 HA LEU A 67 2.757 -1.539 5.835 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.324 -2.669 3.249 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.187 -1.411 3.694 1.00 7.18 H new ATOM 0 HG LEU A 67 3.013 0.124 4.215 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.368 -0.225 3.711 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.760 -1.191 5.077 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.045 -1.962 3.498 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.876 0.471 1.881 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.276 -1.149 1.451 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.131 0.127 1.928 1.00 11.66 H new ATOM 1079 N HIS A 68 0.025 -1.375 6.216 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.318 -1.537 6.755 1.00 4.17 C ATOM 1081 C HIS A 68 -2.358 -0.845 5.853 1.00 5.32 C ATOM 1082 O HIS A 68 -2.084 0.295 5.454 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.390 -0.821 8.111 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.441 -1.465 9.050 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.884 -1.094 9.207 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.747 -2.405 10.033 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.287 -1.857 10.277 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.392 -2.613 10.768 1.00 16.30 N ATOM 0 H HIS A 68 0.345 -0.409 6.142 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.526 -2.604 6.830 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.144 0.234 7.993 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.404 -0.869 8.509 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.704 -2.881 10.187 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.292 -1.817 10.672 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.500 -3.251 11.556 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.449 -1.578 5.419 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.356 -1.116 4.425 1.00 3.97 C ATOM 1098 C LEU A 69 -5.538 -0.489 5.202 1.00 5.07 C ATOM 1099 O LEU A 69 -6.115 -1.122 6.109 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.942 -2.263 3.570 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.825 -1.877 2.361 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.004 -1.151 1.329 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.271 -3.174 1.680 1.00 9.96 C ATOM 0 H LEU A 69 -3.679 -2.503 5.783 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.834 -0.433 3.756 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.111 -2.864 3.201 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.532 -2.903 4.226 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.653 -1.260 2.711 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.637 -0.884 0.482 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.585 -0.246 1.768 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.195 -1.797 0.988 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.898 -2.937 0.820 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.395 -3.730 1.348 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.839 -3.779 2.387 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.852 0.810 4.937 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.922 1.491 5.581 1.00 6.26 C ATOM 1117 C VAL A 70 -7.840 1.860 4.431 1.00 9.22 C ATOM 1118 O VAL A 70 -7.427 2.197 3.307 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.405 2.768 6.215 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.605 3.715 6.604 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.690 2.419 7.549 1.00 8.54 C ATOM 0 H VAL A 70 -5.345 1.383 4.262 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.401 0.896 6.359 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.739 3.252 5.501 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.217 4.627 7.058 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.173 3.969 5.709 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.256 3.205 7.314 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.315 3.332 8.011 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.395 1.934 8.224 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.857 1.745 7.350 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.171 1.732 4.643 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.118 1.823 3.520 1.00 16.06 C ATOM 1133 C LEU A 71 -10.970 3.070 3.766 1.00 18.09 C ATOM 1134 O LEU A 71 -11.637 3.197 4.772 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.018 0.543 3.468 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.329 -0.674 2.980 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.300 -1.920 2.967 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.730 -0.405 1.549 1.00 19.57 C ATOM 0 H LEU A 71 -9.599 1.570 5.555 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.595 1.892 2.566 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.408 0.348 4.467 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.875 0.743 2.824 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.514 -0.911 3.664 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.763 -2.796 2.604 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.662 -2.110 3.977 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.146 -1.715 2.311 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.224 -1.302 1.192 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.534 -0.144 0.861 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.017 0.418 1.602 1.00 19.57 H new