USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 136:sc= 1.29 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.07 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -134:sc= 0.696 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.623 USER MOD Set 3.1: A 7 THR OG1 : rot 125:sc= 2 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.602 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.103 (180deg=-0.159) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= -0.0272 K(o=-0.027,f=-1.3!) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= 1.21 (180deg=0.872) USER MOD Single : A 14 THR OG1 : rot -53:sc= 0.0241 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 2.52 (180deg=2.3) USER MOD Single : A 29 LYS NZ :NH3+ -115:sc= 0.113 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.29) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 41 GLN : amide:sc= 0.347 K(o=0.35,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.04 K(o=1,f=-4.6!) USER MOD Single : A 59 TYR OH : rot -54:sc= 1.82 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0729 X(o=-0.073,f=-0.12) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 103:sc= 0.0221 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.000595 X(o=-0.00059,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.008 3.452 -3.126 1.00 9.67 N ATOM 2 CA MET A 1 -12.680 4.178 -1.878 1.00 10.38 C ATOM 3 C MET A 1 -11.338 4.817 -1.782 1.00 9.62 C ATOM 4 O MET A 1 -10.350 4.317 -2.317 1.00 9.62 O ATOM 5 CB MET A 1 -12.920 3.269 -0.661 1.00 13.77 C ATOM 6 CG MET A 1 -11.990 2.056 -0.581 1.00 16.29 C ATOM 7 SD MET A 1 -12.322 1.080 0.916 1.00 17.17 S ATOM 8 CE MET A 1 -11.051 -0.119 0.420 1.00 16.11 C ATOM 0 H1 MET A 1 -13.968 3.059 -3.057 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.959 4.108 -3.932 1.00 9.67 H new ATOM 0 H3 MET A 1 -12.327 2.679 -3.267 1.00 9.67 H new ATOM 0 HA MET A 1 -13.362 5.028 -1.895 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.803 3.861 0.247 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.952 2.919 -0.683 1.00 13.77 H new ATOM 0 HG2 MET A 1 -12.124 1.431 -1.464 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.952 2.388 -0.580 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.082 -0.980 1.088 1.00 16.11 H new ATOM 0 HE2 MET A 1 -11.239 -0.446 -0.603 1.00 16.11 H new ATOM 0 HE3 MET A 1 -10.068 0.349 0.476 1.00 16.11 H new ATOM 20 N GLN A 2 -11.206 5.977 -1.113 1.00 9.27 N ATOM 21 CA GLN A 2 -9.923 6.602 -1.012 1.00 9.07 C ATOM 22 C GLN A 2 -9.157 6.203 0.201 1.00 8.72 C ATOM 23 O GLN A 2 -9.551 6.269 1.364 1.00 8.22 O ATOM 24 CB GLN A 2 -10.012 8.136 -0.935 1.00 14.46 C ATOM 25 CG GLN A 2 -10.854 8.731 -2.065 1.00 17.01 C ATOM 26 CD GLN A 2 -11.164 10.203 -1.831 1.00 20.10 C ATOM 27 OE1 GLN A 2 -11.256 10.654 -0.691 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.410 10.977 -2.922 1.00 19.49 N ATOM 0 H GLN A 2 -11.968 6.473 -0.652 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.420 6.268 -1.919 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.442 8.424 0.024 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.008 8.557 -0.974 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -10.323 8.618 -3.010 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -11.787 8.174 -2.154 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.327 10.580 -3.858 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.677 11.954 -2.804 1.00 19.49 H new ATOM 37 N ILE A 3 -7.861 5.901 0.002 1.00 5.87 N ATOM 38 CA ILE A 3 -6.983 5.653 1.102 1.00 5.07 C ATOM 39 C ILE A 3 -5.813 6.575 1.127 1.00 4.01 C ATOM 40 O ILE A 3 -5.553 7.256 0.136 1.00 4.61 O ATOM 41 CB ILE A 3 -6.406 4.272 1.001 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.619 3.958 -0.283 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.515 3.237 1.254 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.904 2.610 -0.360 1.00 10.83 C ATOM 0 H ILE A 3 -7.423 5.829 -0.916 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.589 5.793 1.997 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.642 4.216 1.776 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -6.309 4.021 -1.124 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.875 4.742 -0.422 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.099 2.232 1.181 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.931 3.386 2.250 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.302 3.358 0.510 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.391 2.524 -1.318 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.177 2.537 0.449 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.633 1.805 -0.265 1.00 10.83 H new ATOM 56 N PHE A 4 -5.153 6.674 2.294 1.00 4.55 N ATOM 57 CA PHE A 4 -4.014 7.530 2.417 1.00 4.68 C ATOM 58 C PHE A 4 -2.758 6.749 2.594 1.00 5.30 C ATOM 59 O PHE A 4 -2.627 5.972 3.539 1.00 5.58 O ATOM 60 CB PHE A 4 -4.241 8.627 3.471 1.00 4.83 C ATOM 61 CG PHE A 4 -5.458 9.388 3.071 1.00 7.97 C ATOM 62 CD1 PHE A 4 -5.560 10.089 1.893 1.00 8.34 C ATOM 63 CD2 PHE A 4 -6.553 9.491 3.896 1.00 6.69 C ATOM 64 CE1 PHE A 4 -6.746 10.668 1.507 1.00 10.61 C ATOM 65 CE2 PHE A 4 -7.743 10.112 3.595 1.00 9.10 C ATOM 66 CZ PHE A 4 -7.837 10.675 2.345 1.00 8.90 C ATOM 0 H PHE A 4 -5.404 6.168 3.144 1.00 4.55 H new ATOM 0 HA PHE A 4 -3.882 8.066 1.477 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -4.372 8.187 4.460 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -3.377 9.289 3.528 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -4.692 10.187 1.258 1.00 8.34 H new ATOM 0 HD2 PHE A 4 -6.471 9.041 4.874 1.00 6.69 H new ATOM 0 HE1 PHE A 4 -6.822 11.124 0.531 1.00 10.61 H new ATOM 0 HE2 PHE A 4 -8.558 10.155 4.302 1.00 9.10 H new ATOM 0 HZ PHE A 4 -8.765 11.122 2.021 1.00 8.90 H new ATOM 76 N VAL A 5 -1.784 6.811 1.668 1.00 4.44 N ATOM 77 CA VAL A 5 -0.591 6.024 1.711 1.00 3.87 C ATOM 78 C VAL A 5 0.522 6.903 2.168 1.00 4.93 C ATOM 79 O VAL A 5 0.953 7.838 1.495 1.00 6.84 O ATOM 80 CB VAL A 5 -0.293 5.216 0.483 1.00 2.99 C ATOM 81 CG1 VAL A 5 0.855 4.223 0.725 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.614 4.637 -0.052 1.00 9.13 C ATOM 0 H VAL A 5 -1.829 7.432 0.860 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.739 5.222 2.434 1.00 3.87 H new ATOM 0 HB VAL A 5 0.104 5.835 -0.321 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.043 3.655 -0.186 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.756 4.769 1.004 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.581 3.539 1.529 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -1.416 4.046 -0.946 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -2.068 4.003 0.709 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -2.295 5.452 -0.299 1.00 9.13 H new ATOM 92 N LYS A 6 0.997 6.689 3.408 1.00 6.04 N ATOM 93 CA LYS A 6 1.944 7.591 3.985 1.00 6.12 C ATOM 94 C LYS A 6 3.332 7.072 3.823 1.00 6.57 C ATOM 95 O LYS A 6 3.721 5.984 4.245 1.00 5.76 O ATOM 96 CB LYS A 6 1.491 7.880 5.426 1.00 7.45 C ATOM 97 CG LYS A 6 2.057 9.090 6.172 1.00 11.12 C ATOM 98 CD LYS A 6 1.658 10.459 5.620 1.00 14.54 C ATOM 99 CE LYS A 6 2.278 11.657 6.342 1.00 18.84 C ATOM 100 NZ LYS A 6 1.655 12.962 6.025 1.00 20.55 N ATOM 0 H LYS A 6 0.731 5.904 4.003 1.00 6.04 H new ATOM 0 HA LYS A 6 1.975 8.551 3.470 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.406 7.985 5.411 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.717 6.996 6.022 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.739 9.032 7.213 1.00 11.12 H new ATOM 0 HG3 LYS A 6 3.145 9.020 6.167 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.938 10.504 4.568 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.573 10.549 5.665 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.212 11.490 7.417 1.00 18.84 H new ATOM 0 HE3 LYS A 6 3.338 11.706 6.092 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.398 13.665 5.838 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.052 12.864 5.183 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.076 13.275 6.830 1.00 20.55 H new ATOM 114 N THR A 7 4.152 7.877 3.124 1.00 7.41 N ATOM 115 CA THR A 7 5.474 7.459 2.772 1.00 7.48 C ATOM 116 C THR A 7 6.409 7.536 3.930 1.00 8.75 C ATOM 117 O THR A 7 6.023 8.027 4.990 1.00 8.58 O ATOM 118 CB THR A 7 6.056 8.085 1.540 1.00 9.61 C ATOM 119 OG1 THR A 7 6.661 9.342 1.806 1.00 11.78 O ATOM 120 CG2 THR A 7 4.949 8.208 0.479 1.00 9.17 C ATOM 0 H THR A 7 3.902 8.813 2.804 1.00 7.41 H new ATOM 0 HA THR A 7 5.348 6.412 2.495 1.00 7.48 H new ATOM 0 HB THR A 7 6.854 7.444 1.166 1.00 9.61 H new ATOM 0 HG1 THR A 7 7.590 9.331 1.493 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.359 8.662 -0.423 1.00 9.17 H new ATOM 0 HG22 THR A 7 4.560 7.218 0.242 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.143 8.832 0.865 1.00 9.17 H new ATOM 128 N LEU A 8 7.674 7.093 3.809 1.00 9.84 N ATOM 129 CA LEU A 8 8.656 7.210 4.841 1.00 14.15 C ATOM 130 C LEU A 8 9.096 8.616 5.065 1.00 17.37 C ATOM 131 O LEU A 8 9.245 9.126 6.175 1.00 17.01 O ATOM 132 CB LEU A 8 9.812 6.234 4.568 1.00 16.63 C ATOM 133 CG LEU A 8 10.709 5.945 5.784 1.00 18.88 C ATOM 134 CD1 LEU A 8 9.899 5.284 6.911 1.00 18.59 C ATOM 135 CD2 LEU A 8 11.859 5.019 5.352 1.00 19.31 C ATOM 0 H LEU A 8 8.024 6.639 2.965 1.00 9.84 H new ATOM 0 HA LEU A 8 8.200 6.923 5.789 1.00 14.15 H new ATOM 0 HB2 LEU A 8 9.397 5.293 4.207 1.00 16.63 H new ATOM 0 HB3 LEU A 8 10.429 6.638 3.766 1.00 16.63 H new ATOM 0 HG LEU A 8 11.113 6.885 6.161 1.00 18.88 H new ATOM 0 HD11 LEU A 8 10.552 5.088 7.762 1.00 18.59 H new ATOM 0 HD12 LEU A 8 9.093 5.950 7.218 1.00 18.59 H new ATOM 0 HD13 LEU A 8 9.477 4.345 6.553 1.00 18.59 H new ATOM 0 HD21 LEU A 8 12.499 4.810 6.209 1.00 19.31 H new ATOM 0 HD22 LEU A 8 11.449 4.085 4.968 1.00 19.31 H new ATOM 0 HD23 LEU A 8 12.445 5.506 4.572 1.00 19.31 H new ATOM 147 N THR A 9 9.248 9.299 3.917 1.00 18.33 N ATOM 148 CA THR A 9 9.605 10.675 3.764 1.00 19.24 C ATOM 149 C THR A 9 8.498 11.635 4.033 1.00 19.48 C ATOM 150 O THR A 9 8.723 12.820 4.275 1.00 23.14 O ATOM 151 CB THR A 9 9.991 11.046 2.362 1.00 18.97 C ATOM 152 OG1 THR A 9 9.218 10.416 1.351 1.00 20.24 O ATOM 153 CG2 THR A 9 11.351 10.427 1.997 1.00 19.70 C ATOM 0 H THR A 9 9.108 8.845 3.015 1.00 18.33 H new ATOM 0 HA THR A 9 10.422 10.754 4.482 1.00 19.24 H new ATOM 0 HB THR A 9 9.909 12.133 2.377 1.00 18.97 H new ATOM 0 HG1 THR A 9 9.530 10.710 0.470 1.00 20.24 H new ATOM 0 HG21 THR A 9 11.616 10.706 0.977 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.114 10.794 2.683 1.00 19.70 H new ATOM 0 HG23 THR A 9 11.288 9.341 2.072 1.00 19.70 H new ATOM 161 N GLY A 10 7.249 11.144 3.947 1.00 19.43 N ATOM 162 CA GLY A 10 6.208 11.763 4.707 1.00 18.74 C ATOM 163 C GLY A 10 5.174 12.326 3.794 1.00 17.62 C ATOM 164 O GLY A 10 4.438 13.241 4.159 1.00 19.74 O ATOM 0 H GLY A 10 6.966 10.349 3.374 1.00 19.43 H new ATOM 0 HA2 GLY A 10 5.754 11.034 5.378 1.00 18.74 H new ATOM 0 HA3 GLY A 10 6.624 12.554 5.331 1.00 18.74 H new ATOM 168 N LYS A 11 5.071 11.715 2.600 1.00 13.56 N ATOM 169 CA LYS A 11 4.094 12.133 1.643 1.00 11.91 C ATOM 170 C LYS A 11 2.767 11.510 1.910 1.00 10.18 C ATOM 171 O LYS A 11 2.760 10.307 2.167 1.00 9.10 O ATOM 172 CB LYS A 11 4.604 12.036 0.195 1.00 13.43 C ATOM 173 CG LYS A 11 3.801 12.915 -0.765 1.00 16.69 C ATOM 174 CD LYS A 11 4.445 12.889 -2.153 1.00 17.92 C ATOM 175 CE LYS A 11 3.850 13.821 -3.211 1.00 20.81 C ATOM 176 NZ LYS A 11 4.415 13.514 -4.544 1.00 21.93 N ATOM 0 H LYS A 11 5.659 10.938 2.299 1.00 13.56 H new ATOM 0 HA LYS A 11 3.922 13.202 1.771 1.00 11.91 H new ATOM 0 HB2 LYS A 11 5.653 12.330 0.162 1.00 13.43 H new ATOM 0 HB3 LYS A 11 4.553 10.999 -0.137 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.772 12.559 -0.824 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.763 13.938 -0.391 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.501 13.134 -2.041 1.00 17.92 H new ATOM 0 HD3 LYS A 11 4.392 11.868 -2.532 1.00 17.92 H new ATOM 0 HE2 LYS A 11 2.766 13.711 -3.234 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.059 14.858 -2.950 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 3.676 13.624 -5.268 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 5.199 14.166 -4.747 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 4.767 12.535 -4.555 1.00 21.93 H new ATOM 190 N THR A 12 1.615 12.195 1.798 1.00 9.63 N ATOM 191 CA THR A 12 0.328 11.571 1.807 1.00 9.85 C ATOM 192 C THR A 12 -0.107 11.289 0.410 1.00 11.66 C ATOM 193 O THR A 12 -0.490 12.202 -0.320 1.00 12.33 O ATOM 194 CB THR A 12 -0.708 12.464 2.421 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.149 12.875 3.660 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.022 11.735 2.753 1.00 9.63 C ATOM 0 H THR A 12 1.577 13.209 1.699 1.00 9.63 H new ATOM 0 HA THR A 12 0.419 10.654 2.389 1.00 9.85 H new ATOM 0 HB THR A 12 -0.945 13.266 1.723 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.777 13.469 4.121 1.00 10.91 H new ATOM 0 HG21 THR A 12 -2.727 12.439 3.194 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.448 11.319 1.840 1.00 9.63 H new ATOM 0 HG23 THR A 12 -1.823 10.930 3.460 1.00 9.63 H new ATOM 204 N ILE A 13 -0.049 10.007 0.005 1.00 10.42 N ATOM 205 CA ILE A 13 -0.533 9.678 -1.300 1.00 11.84 C ATOM 206 C ILE A 13 -1.966 9.297 -1.147 1.00 10.55 C ATOM 207 O ILE A 13 -2.376 8.342 -0.489 1.00 11.92 O ATOM 208 CB ILE A 13 0.240 8.501 -1.816 1.00 14.86 C ATOM 209 CG1 ILE A 13 1.767 8.683 -1.775 1.00 14.87 C ATOM 210 CG2 ILE A 13 -0.282 8.206 -3.232 1.00 17.08 C ATOM 211 CD1 ILE A 13 2.456 7.345 -2.041 1.00 16.46 C ATOM 0 H ILE A 13 0.316 9.228 0.553 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.422 10.513 -1.992 1.00 11.84 H new ATOM 0 HB ILE A 13 0.075 7.649 -1.157 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.075 9.416 -2.521 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.070 9.071 -0.803 1.00 14.87 H new ATOM 0 HG21 ILE A 13 0.255 7.353 -3.647 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.347 7.977 -3.187 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -0.125 9.078 -3.867 1.00 17.08 H new ATOM 0 HD11 ILE A 13 3.537 7.480 -2.011 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.159 6.625 -1.279 1.00 16.46 H new ATOM 0 HD13 ILE A 13 2.164 6.974 -3.024 1.00 16.46 H new ATOM 223 N THR A 14 -2.853 10.045 -1.827 1.00 9.39 N ATOM 224 CA THR A 14 -4.238 9.727 -1.987 1.00 9.63 C ATOM 225 C THR A 14 -4.389 8.733 -3.086 1.00 11.20 C ATOM 226 O THR A 14 -4.118 9.008 -4.254 1.00 11.63 O ATOM 227 CB THR A 14 -5.130 10.859 -2.405 1.00 10.38 C ATOM 228 OG1 THR A 14 -5.012 11.823 -1.369 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.588 10.374 -2.334 1.00 11.66 C ATOM 0 H THR A 14 -2.590 10.916 -2.289 1.00 9.39 H new ATOM 0 HA THR A 14 -4.537 9.388 -0.995 1.00 9.63 H new ATOM 0 HB THR A 14 -4.875 11.227 -3.399 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.201 11.400 -0.505 1.00 16.30 H new ATOM 0 HG21 THR A 14 -7.255 11.182 -2.634 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.722 9.525 -3.004 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.821 10.071 -1.313 1.00 11.66 H new ATOM 237 N LEU A 15 -4.847 7.478 -2.930 1.00 8.29 N ATOM 238 CA LEU A 15 -5.037 6.553 -4.004 1.00 9.03 C ATOM 239 C LEU A 15 -6.462 6.122 -3.958 1.00 8.59 C ATOM 240 O LEU A 15 -7.060 6.134 -2.883 1.00 7.79 O ATOM 241 CB LEU A 15 -4.219 5.260 -3.848 1.00 11.08 C ATOM 242 CG LEU A 15 -2.688 5.394 -3.801 1.00 15.79 C ATOM 243 CD1 LEU A 15 -2.037 4.075 -3.352 1.00 15.27 C ATOM 244 CD2 LEU A 15 -2.038 5.949 -5.080 1.00 15.88 C ATOM 0 H LEU A 15 -5.095 7.092 -2.019 1.00 8.29 H new ATOM 0 HA LEU A 15 -4.733 7.055 -4.922 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -4.542 4.765 -2.932 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -4.474 4.598 -4.675 1.00 11.08 H new ATOM 0 HG LEU A 15 -2.491 6.161 -3.052 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.954 4.194 -3.326 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -2.397 3.812 -2.357 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -2.298 3.283 -4.054 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.958 6.004 -4.945 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -2.265 5.291 -5.919 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -2.430 6.946 -5.284 1.00 15.88 H new ATOM 256 N GLU A 16 -7.084 5.890 -5.128 1.00 11.04 N ATOM 257 CA GLU A 16 -8.349 5.245 -5.295 1.00 11.50 C ATOM 258 C GLU A 16 -8.288 3.766 -5.462 1.00 10.13 C ATOM 259 O GLU A 16 -7.825 3.218 -6.461 1.00 9.83 O ATOM 260 CB GLU A 16 -9.100 5.833 -6.502 1.00 17.22 C ATOM 261 CG GLU A 16 -9.612 7.272 -6.424 1.00 23.33 C ATOM 262 CD GLU A 16 -10.519 7.484 -7.627 1.00 26.99 C ATOM 263 OE1 GLU A 16 -10.602 6.759 -8.654 1.00 28.90 O ATOM 264 OE2 GLU A 16 -11.104 8.599 -7.661 1.00 28.86 O ATOM 0 H GLU A 16 -6.674 6.173 -6.018 1.00 11.04 H new ATOM 0 HA GLU A 16 -8.874 5.436 -4.359 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -8.440 5.765 -7.366 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -9.956 5.189 -6.703 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -10.158 7.438 -5.495 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -8.782 7.978 -6.437 1.00 23.33 H new ATOM 271 N VAL A 17 -8.741 3.063 -4.408 1.00 8.99 N ATOM 272 CA VAL A 17 -8.747 1.633 -4.385 1.00 8.85 C ATOM 273 C VAL A 17 -10.159 1.156 -4.365 1.00 8.04 C ATOM 274 O VAL A 17 -11.074 1.829 -3.893 1.00 8.99 O ATOM 275 CB VAL A 17 -7.906 0.940 -3.355 1.00 9.78 C ATOM 276 CG1 VAL A 17 -6.428 1.239 -3.659 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.190 1.473 -1.941 1.00 10.54 C ATOM 0 H VAL A 17 -9.108 3.494 -3.559 1.00 8.99 H new ATOM 0 HA VAL A 17 -8.235 1.341 -5.302 1.00 8.85 H new ATOM 0 HB VAL A 17 -8.135 -0.125 -3.392 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.797 0.744 -2.921 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -6.179 0.870 -4.654 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -6.259 2.315 -3.618 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.562 0.948 -1.221 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.970 2.540 -1.903 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.239 1.310 -1.695 1.00 10.54 H new ATOM 287 N GLU A 18 -10.473 -0.072 -4.815 1.00 7.29 N ATOM 288 CA GLU A 18 -11.721 -0.690 -4.492 1.00 7.08 C ATOM 289 C GLU A 18 -11.277 -1.758 -3.552 1.00 6.45 C ATOM 290 O GLU A 18 -10.170 -2.282 -3.665 1.00 5.28 O ATOM 291 CB GLU A 18 -12.404 -1.387 -5.680 1.00 10.28 C ATOM 292 CG GLU A 18 -13.225 -0.539 -6.654 1.00 12.65 C ATOM 293 CD GLU A 18 -14.487 -0.037 -5.967 1.00 14.15 C ATOM 294 OE1 GLU A 18 -15.411 -0.789 -5.558 1.00 14.33 O ATOM 295 OE2 GLU A 18 -14.622 1.204 -5.793 1.00 18.17 O ATOM 0 H GLU A 18 -9.861 -0.638 -5.404 1.00 7.29 H new ATOM 0 HA GLU A 18 -12.442 0.042 -4.127 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -11.630 -1.895 -6.255 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -13.061 -2.158 -5.278 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.631 0.305 -7.005 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -13.488 -1.130 -7.531 1.00 12.65 H new ATOM 302 N PRO A 19 -12.067 -2.213 -2.626 1.00 7.24 N ATOM 303 CA PRO A 19 -11.711 -3.130 -1.582 1.00 7.07 C ATOM 304 C PRO A 19 -11.355 -4.478 -2.109 1.00 6.65 C ATOM 305 O PRO A 19 -10.768 -5.321 -1.433 1.00 6.37 O ATOM 306 CB PRO A 19 -12.934 -3.289 -0.681 1.00 7.61 C ATOM 307 CG PRO A 19 -13.768 -2.022 -0.924 1.00 8.16 C ATOM 308 CD PRO A 19 -13.391 -1.665 -2.370 1.00 7.49 C ATOM 0 HA PRO A 19 -10.843 -2.734 -1.055 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.497 -4.188 -0.933 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.645 -3.377 0.366 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.836 -2.209 -0.815 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.512 -1.225 -0.227 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -14.118 -2.078 -3.069 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -13.392 -0.584 -2.511 1.00 7.49 H new ATOM 316 N SER A 20 -11.829 -4.856 -3.310 1.00 6.80 N ATOM 317 CA SER A 20 -11.529 -6.121 -3.906 1.00 6.28 C ATOM 318 C SER A 20 -10.308 -6.028 -4.754 1.00 8.45 C ATOM 319 O SER A 20 -9.940 -7.092 -5.249 1.00 7.26 O ATOM 320 CB SER A 20 -12.663 -6.598 -4.830 1.00 8.57 C ATOM 321 OG SER A 20 -13.846 -6.832 -4.082 1.00 11.13 O ATOM 0 H SER A 20 -12.436 -4.268 -3.881 1.00 6.80 H new ATOM 0 HA SER A 20 -11.390 -6.819 -3.081 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.854 -5.849 -5.599 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.363 -7.512 -5.343 1.00 8.57 H new ATOM 0 HG SER A 20 -14.559 -7.133 -4.683 1.00 11.13 H new ATOM 327 N ASP A 21 -9.583 -4.904 -4.893 1.00 7.50 N ATOM 328 CA ASP A 21 -8.354 -4.730 -5.603 1.00 7.70 C ATOM 329 C ASP A 21 -7.319 -5.275 -4.680 1.00 7.08 C ATOM 330 O ASP A 21 -7.573 -5.387 -3.482 1.00 8.11 O ATOM 331 CB ASP A 21 -7.943 -3.286 -5.935 1.00 11.00 C ATOM 332 CG ASP A 21 -8.821 -2.857 -7.102 1.00 15.32 C ATOM 333 OD1 ASP A 21 -9.127 -3.766 -7.919 1.00 14.36 O ATOM 334 OD2 ASP A 21 -9.114 -1.651 -7.320 1.00 18.03 O ATOM 0 H ASP A 21 -9.891 -4.031 -4.464 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.464 -5.216 -6.572 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.089 -2.632 -5.076 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -6.887 -3.232 -6.201 1.00 11.00 H new ATOM 339 N THR A 22 -6.116 -5.613 -5.179 1.00 5.37 N ATOM 340 CA THR A 22 -5.124 -6.364 -4.474 1.00 6.01 C ATOM 341 C THR A 22 -4.045 -5.394 -4.136 1.00 8.01 C ATOM 342 O THR A 22 -3.938 -4.368 -4.806 1.00 8.11 O ATOM 343 CB THR A 22 -4.503 -7.468 -5.278 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.038 -7.015 -6.540 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.516 -8.590 -5.561 1.00 9.65 C ATOM 0 H THR A 22 -5.821 -5.350 -6.119 1.00 5.37 H new ATOM 0 HA THR A 22 -5.600 -6.836 -3.615 1.00 6.01 H new ATOM 0 HB THR A 22 -3.670 -7.832 -4.677 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.640 -7.764 -7.030 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.036 -9.375 -6.145 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.872 -9.005 -4.618 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.360 -8.186 -6.121 1.00 9.65 H new ATOM 353 N ILE A 23 -3.111 -5.780 -3.248 1.00 8.32 N ATOM 354 CA ILE A 23 -2.080 -5.003 -2.634 1.00 9.92 C ATOM 355 C ILE A 23 -1.066 -4.807 -3.707 1.00 10.01 C ATOM 356 O ILE A 23 -0.472 -3.736 -3.825 1.00 8.71 O ATOM 357 CB ILE A 23 -1.651 -5.672 -1.362 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.766 -5.801 -0.310 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.322 -5.089 -0.851 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.233 -4.476 0.290 1.00 12.30 C ATOM 0 H ILE A 23 -3.078 -6.747 -2.927 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.364 -4.010 -2.285 1.00 9.92 H new ATOM 0 HB ILE A 23 -1.444 -6.716 -1.598 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.621 -6.299 -0.766 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.414 -6.445 0.496 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.035 -5.592 0.072 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.454 -5.238 -1.602 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.442 -4.022 -0.661 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.019 -4.665 1.021 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.394 -3.982 0.780 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.620 -3.834 -0.502 1.00 12.30 H new ATOM 372 N GLU A 24 -0.795 -5.734 -4.643 1.00 9.54 N ATOM 373 CA GLU A 24 0.018 -5.482 -5.792 1.00 11.81 C ATOM 374 C GLU A 24 -0.352 -4.379 -6.723 1.00 11.14 C ATOM 375 O GLU A 24 0.436 -3.569 -7.210 1.00 10.62 O ATOM 376 CB GLU A 24 0.057 -6.844 -6.506 1.00 19.24 C ATOM 377 CG GLU A 24 1.074 -7.138 -7.610 1.00 27.76 C ATOM 378 CD GLU A 24 2.544 -7.154 -7.217 1.00 32.92 C ATOM 379 OE1 GLU A 24 3.121 -6.136 -6.749 1.00 34.80 O ATOM 380 OE2 GLU A 24 3.174 -8.214 -7.479 1.00 36.51 O ATOM 0 H GLU A 24 -1.153 -6.688 -4.599 1.00 9.54 H new ATOM 0 HA GLU A 24 0.976 -5.093 -5.447 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.198 -7.602 -5.735 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -0.932 -7.005 -6.935 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.830 -8.108 -8.044 1.00 27.76 H new ATOM 0 HG3 GLU A 24 0.943 -6.395 -8.396 1.00 27.76 H new ATOM 387 N ASN A 25 -1.679 -4.273 -6.911 1.00 9.43 N ATOM 388 CA ASN A 25 -2.277 -3.166 -7.590 1.00 10.96 C ATOM 389 C ASN A 25 -2.240 -1.878 -6.841 1.00 9.68 C ATOM 390 O ASN A 25 -2.292 -0.819 -7.465 1.00 9.33 O ATOM 391 CB ASN A 25 -3.730 -3.558 -7.906 1.00 16.78 C ATOM 392 CG ASN A 25 -4.423 -2.740 -8.987 1.00 22.31 C ATOM 393 OD1 ASN A 25 -5.538 -2.264 -8.784 1.00 25.66 O ATOM 394 ND2 ASN A 25 -3.854 -2.596 -10.214 1.00 24.70 N ATOM 0 H ASN A 25 -2.350 -4.969 -6.585 1.00 9.43 H new ATOM 0 HA ASN A 25 -1.692 -2.974 -8.490 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.746 -4.606 -8.205 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -4.314 -3.480 -6.989 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.352 -2.098 -10.952 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.929 -2.986 -10.396 1.00 24.70 H new ATOM 401 N VAL A 26 -2.040 -1.942 -5.513 1.00 6.52 N ATOM 402 CA VAL A 26 -1.912 -0.713 -4.792 1.00 5.53 C ATOM 403 C VAL A 26 -0.545 -0.142 -4.951 1.00 4.42 C ATOM 404 O VAL A 26 -0.372 1.011 -5.343 1.00 3.40 O ATOM 405 CB VAL A 26 -2.133 -0.874 -3.317 1.00 3.86 C ATOM 406 CG1 VAL A 26 -2.065 0.501 -2.630 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.511 -1.500 -3.042 1.00 8.12 C ATOM 0 H VAL A 26 -1.970 -2.796 -4.960 1.00 6.52 H new ATOM 0 HA VAL A 26 -2.676 -0.058 -5.210 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.356 -1.529 -2.922 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -2.226 0.381 -1.559 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -1.085 0.946 -2.802 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -2.836 1.152 -3.042 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.653 -1.609 -1.967 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -4.291 -0.856 -3.448 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.567 -2.480 -3.516 1.00 8.12 H new ATOM 417 N LYS A 27 0.497 -0.991 -4.986 1.00 2.64 N ATOM 418 CA LYS A 27 1.891 -0.745 -5.191 1.00 4.14 C ATOM 419 C LYS A 27 2.154 -0.288 -6.584 1.00 5.58 C ATOM 420 O LYS A 27 2.971 0.584 -6.875 1.00 4.11 O ATOM 421 CB LYS A 27 2.613 -2.095 -5.046 1.00 3.97 C ATOM 422 CG LYS A 27 4.128 -2.051 -4.837 1.00 7.45 C ATOM 423 CD LYS A 27 4.910 -3.355 -5.016 1.00 9.02 C ATOM 424 CE LYS A 27 4.534 -4.553 -4.143 1.00 12.90 C ATOM 425 NZ LYS A 27 4.879 -5.866 -4.734 1.00 15.47 N ATOM 0 H LYS A 27 0.333 -1.989 -4.851 1.00 2.64 H new ATOM 0 HA LYS A 27 2.225 0.011 -4.481 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.170 -2.628 -4.205 1.00 3.97 H new ATOM 0 HB3 LYS A 27 2.411 -2.685 -5.940 1.00 3.97 H new ATOM 0 HG2 LYS A 27 4.540 -1.315 -5.528 1.00 7.45 H new ATOM 0 HG3 LYS A 27 4.317 -1.683 -3.829 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.813 -3.660 -6.058 1.00 9.02 H new ATOM 0 HD3 LYS A 27 5.964 -3.137 -4.844 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.035 -4.458 -3.180 1.00 12.90 H new ATOM 0 HE3 LYS A 27 3.462 -4.525 -3.949 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.900 -6.589 -3.986 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 4.166 -6.124 -5.446 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.814 -5.808 -5.186 1.00 15.47 H new ATOM 439 N ALA A 28 1.325 -0.746 -7.539 1.00 6.61 N ATOM 440 CA ALA A 28 1.480 -0.482 -8.936 1.00 7.74 C ATOM 441 C ALA A 28 1.023 0.890 -9.293 1.00 9.17 C ATOM 442 O ALA A 28 1.704 1.664 -9.965 1.00 11.45 O ATOM 443 CB ALA A 28 0.511 -1.407 -9.693 1.00 7.68 C ATOM 0 H ALA A 28 0.512 -1.325 -7.329 1.00 6.61 H new ATOM 0 HA ALA A 28 2.533 -0.618 -9.183 1.00 7.74 H new ATOM 0 HB1 ALA A 28 0.603 -1.232 -10.765 1.00 7.68 H new ATOM 0 HB2 ALA A 28 0.754 -2.447 -9.473 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.512 -1.199 -9.378 1.00 7.68 H new ATOM 449 N LYS A 29 -0.110 1.359 -8.741 1.00 8.96 N ATOM 450 CA LYS A 29 -0.555 2.715 -8.838 1.00 7.90 C ATOM 451 C LYS A 29 0.390 3.696 -8.235 1.00 6.92 C ATOM 452 O LYS A 29 0.568 4.742 -8.857 1.00 6.87 O ATOM 453 CB LYS A 29 -1.949 2.857 -8.202 1.00 10.28 C ATOM 454 CG LYS A 29 -2.953 2.219 -9.164 1.00 14.94 C ATOM 455 CD LYS A 29 -4.371 2.283 -8.591 1.00 19.69 C ATOM 456 CE LYS A 29 -5.363 1.712 -9.607 1.00 22.63 C ATOM 457 NZ LYS A 29 -6.738 1.825 -9.070 1.00 24.98 N ATOM 0 H LYS A 29 -0.744 0.767 -8.204 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.602 2.952 -9.901 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -1.981 2.364 -7.230 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -2.190 3.907 -8.035 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -2.921 2.733 -10.124 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -2.677 1.181 -9.349 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -4.423 1.719 -7.660 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -4.632 3.314 -8.354 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -5.284 2.251 -10.551 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -5.127 0.668 -9.815 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -7.130 0.874 -8.916 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -6.717 2.341 -8.168 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -7.335 2.339 -9.749 1.00 24.98 H new ATOM 471 N ILE A 30 1.078 3.307 -7.146 1.00 4.57 N ATOM 472 CA ILE A 30 2.168 4.043 -6.585 1.00 5.58 C ATOM 473 C ILE A 30 3.381 4.156 -7.443 1.00 7.26 C ATOM 474 O ILE A 30 3.986 5.213 -7.612 1.00 9.46 O ATOM 475 CB ILE A 30 2.528 3.705 -5.169 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.351 3.884 -4.195 1.00 2.94 C ATOM 477 CG2 ILE A 30 3.811 4.307 -4.572 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.566 3.236 -2.828 1.00 2.00 C ATOM 0 H ILE A 30 0.867 2.448 -6.638 1.00 4.57 H new ATOM 0 HA ILE A 30 1.730 5.040 -6.549 1.00 5.58 H new ATOM 0 HB ILE A 30 2.774 2.649 -5.280 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.169 4.949 -4.055 1.00 2.94 H new ATOM 0 HG13 ILE A 30 0.453 3.463 -4.647 1.00 2.94 H new ATOM 0 HG21 ILE A 30 3.928 3.966 -3.543 1.00 2.78 H new ATOM 0 HG22 ILE A 30 4.671 3.987 -5.160 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.744 5.395 -4.589 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.691 3.408 -2.202 1.00 2.00 H new ATOM 0 HD12 ILE A 30 1.717 2.164 -2.953 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.444 3.673 -2.352 1.00 2.00 H new ATOM 490 N GLN A 31 3.792 3.101 -8.169 1.00 7.06 N ATOM 491 CA GLN A 31 4.849 3.065 -9.131 1.00 8.67 C ATOM 492 C GLN A 31 4.652 4.048 -10.233 1.00 10.90 C ATOM 493 O GLN A 31 5.524 4.831 -10.608 1.00 9.63 O ATOM 494 CB GLN A 31 5.158 1.689 -9.744 1.00 9.12 C ATOM 495 CG GLN A 31 6.351 1.485 -10.681 1.00 10.76 C ATOM 496 CD GLN A 31 6.472 -0.019 -10.884 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.682 -0.914 -10.589 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.667 -0.467 -11.352 1.00 14.76 N ATOM 0 H GLN A 31 3.342 2.191 -8.072 1.00 7.06 H new ATOM 0 HA GLN A 31 5.716 3.336 -8.529 1.00 8.67 H new ATOM 0 HB2 GLN A 31 5.283 0.993 -8.915 1.00 9.12 H new ATOM 0 HB3 GLN A 31 4.268 1.378 -10.291 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.193 1.996 -11.631 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.263 1.895 -10.247 1.00 10.76 H new ATOM 0 HE21 GLN A 31 8.390 0.199 -11.624 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.840 -1.469 -11.431 1.00 14.76 H new ATOM 507 N ASP A 32 3.449 3.917 -10.819 1.00 10.93 N ATOM 508 CA ASP A 32 2.963 4.668 -11.935 1.00 14.01 C ATOM 509 C ASP A 32 2.709 6.114 -11.679 1.00 14.04 C ATOM 510 O ASP A 32 3.185 6.987 -12.403 1.00 13.39 O ATOM 511 CB ASP A 32 1.670 3.996 -12.426 1.00 18.01 C ATOM 512 CG ASP A 32 0.987 4.554 -13.666 1.00 24.33 C ATOM 513 OD1 ASP A 32 1.717 4.940 -14.617 1.00 25.17 O ATOM 514 OD2 ASP A 32 -0.271 4.512 -13.735 1.00 26.29 O ATOM 0 H ASP A 32 2.766 3.236 -10.488 1.00 10.93 H new ATOM 0 HA ASP A 32 3.756 4.658 -12.682 1.00 14.01 H new ATOM 0 HB2 ASP A 32 1.893 2.946 -12.615 1.00 18.01 H new ATOM 0 HB3 ASP A 32 0.950 4.027 -11.609 1.00 18.01 H new ATOM 519 N LYS A 33 2.062 6.431 -10.544 1.00 14.22 N ATOM 520 CA LYS A 33 1.730 7.776 -10.189 1.00 14.00 C ATOM 521 C LYS A 33 2.843 8.523 -9.538 1.00 12.37 C ATOM 522 O LYS A 33 3.081 9.653 -9.960 1.00 12.17 O ATOM 523 CB LYS A 33 0.445 7.870 -9.350 1.00 18.62 C ATOM 524 CG LYS A 33 -0.777 7.609 -10.233 1.00 24.00 C ATOM 525 CD LYS A 33 -1.999 7.769 -9.327 1.00 27.61 C ATOM 526 CE LYS A 33 -3.303 7.239 -9.927 1.00 27.64 C ATOM 527 NZ LYS A 33 -3.913 8.267 -10.800 1.00 30.06 N ATOM 0 H LYS A 33 1.763 5.738 -9.858 1.00 14.22 H new ATOM 0 HA LYS A 33 1.544 8.268 -11.144 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.478 7.145 -8.537 1.00 18.62 H new ATOM 0 HB3 LYS A 33 0.370 8.857 -8.894 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -0.814 8.313 -11.065 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -0.740 6.608 -10.664 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.809 7.252 -8.386 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.125 8.825 -9.090 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -3.107 6.333 -10.500 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -3.996 6.969 -9.130 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -4.798 7.899 -11.203 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -4.116 9.121 -10.242 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.254 8.505 -11.569 1.00 30.06 H new ATOM 541 N GLU A 34 3.514 7.995 -8.498 1.00 10.11 N ATOM 542 CA GLU A 34 4.548 8.655 -7.763 1.00 10.07 C ATOM 543 C GLU A 34 5.897 8.302 -8.285 1.00 9.32 C ATOM 544 O GLU A 34 6.772 9.111 -8.590 1.00 11.61 O ATOM 545 CB GLU A 34 4.441 8.375 -6.255 1.00 14.77 C ATOM 546 CG GLU A 34 3.188 8.952 -5.593 1.00 18.75 C ATOM 547 CD GLU A 34 3.243 10.469 -5.483 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.320 10.910 -5.002 1.00 25.19 O ATOM 549 OE2 GLU A 34 2.292 11.216 -5.836 1.00 21.95 O ATOM 0 H GLU A 34 3.324 7.055 -8.151 1.00 10.11 H new ATOM 0 HA GLU A 34 4.410 9.727 -7.904 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.458 7.297 -6.096 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.321 8.784 -5.758 1.00 14.77 H new ATOM 0 HG2 GLU A 34 2.309 8.663 -6.169 1.00 18.75 H new ATOM 0 HG3 GLU A 34 3.073 8.521 -4.598 1.00 18.75 H new ATOM 556 N GLY A 35 6.145 6.980 -8.313 1.00 7.22 N ATOM 557 CA GLY A 35 7.440 6.536 -8.726 1.00 6.29 C ATOM 558 C GLY A 35 8.382 6.100 -7.657 1.00 6.93 C ATOM 559 O GLY A 35 9.580 6.362 -7.747 1.00 7.41 O ATOM 0 H GLY A 35 5.482 6.247 -8.062 1.00 7.22 H new ATOM 0 HA2 GLY A 35 7.307 5.705 -9.419 1.00 6.29 H new ATOM 0 HA3 GLY A 35 7.913 7.344 -9.284 1.00 6.29 H new ATOM 563 N ILE A 36 7.967 5.367 -6.608 1.00 5.86 N ATOM 564 CA ILE A 36 8.826 4.702 -5.679 1.00 6.07 C ATOM 565 C ILE A 36 9.102 3.324 -6.174 1.00 6.36 C ATOM 566 O ILE A 36 8.117 2.652 -6.477 1.00 6.18 O ATOM 567 CB ILE A 36 8.224 4.645 -4.306 1.00 7.47 C ATOM 568 CG1 ILE A 36 7.773 6.002 -3.740 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.169 3.915 -3.337 1.00 7.36 C ATOM 570 CD1 ILE A 36 8.961 6.958 -3.633 1.00 9.49 C ATOM 0 H ILE A 36 6.978 5.232 -6.398 1.00 5.86 H new ATOM 0 HA ILE A 36 9.755 5.268 -5.603 1.00 6.07 H new ATOM 0 HB ILE A 36 7.301 4.075 -4.412 1.00 7.47 H new ATOM 0 HG12 ILE A 36 7.007 6.435 -4.383 1.00 8.52 H new ATOM 0 HG13 ILE A 36 7.322 5.861 -2.758 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.718 3.882 -2.345 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.340 2.899 -3.692 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.119 4.446 -3.286 1.00 7.36 H new ATOM 0 HD11 ILE A 36 8.624 7.913 -3.231 1.00 9.49 H new ATOM 0 HD12 ILE A 36 9.714 6.530 -2.970 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.394 7.113 -4.621 1.00 9.49 H new ATOM 582 N PRO A 37 10.251 2.726 -6.283 1.00 8.65 N ATOM 583 CA PRO A 37 10.380 1.431 -6.885 1.00 9.18 C ATOM 584 C PRO A 37 9.789 0.261 -6.177 1.00 9.85 C ATOM 585 O PRO A 37 9.748 0.313 -4.948 1.00 8.51 O ATOM 586 CB PRO A 37 11.884 1.171 -6.947 1.00 11.42 C ATOM 587 CG PRO A 37 12.457 2.594 -7.043 1.00 9.27 C ATOM 588 CD PRO A 37 11.438 3.558 -6.416 1.00 8.33 C ATOM 0 HA PRO A 37 9.832 1.489 -7.825 1.00 9.18 H new ATOM 0 HB2 PRO A 37 12.243 0.647 -6.062 1.00 11.42 H new ATOM 0 HB3 PRO A 37 12.157 0.563 -7.810 1.00 11.42 H new ATOM 0 HG2 PRO A 37 13.412 2.656 -6.521 1.00 9.27 H new ATOM 0 HG3 PRO A 37 12.644 2.860 -8.083 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.778 3.936 -5.452 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.256 4.425 -7.052 1.00 8.33 H new ATOM 596 N PRO A 38 9.235 -0.745 -6.786 1.00 8.71 N ATOM 597 CA PRO A 38 8.375 -1.697 -6.146 1.00 9.08 C ATOM 598 C PRO A 38 9.086 -2.776 -5.404 1.00 9.28 C ATOM 599 O PRO A 38 8.449 -3.573 -4.717 1.00 6.50 O ATOM 600 CB PRO A 38 7.721 -2.307 -7.384 1.00 10.31 C ATOM 601 CG PRO A 38 8.759 -2.349 -8.517 1.00 10.81 C ATOM 602 CD PRO A 38 9.545 -1.076 -8.168 1.00 12.00 C ATOM 0 HA PRO A 38 7.732 -1.241 -5.393 1.00 9.08 H new ATOM 0 HB2 PRO A 38 7.360 -3.312 -7.165 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.856 -1.716 -7.685 1.00 10.31 H new ATOM 0 HG2 PRO A 38 9.377 -3.247 -8.489 1.00 10.81 H new ATOM 0 HG3 PRO A 38 8.304 -2.305 -9.507 1.00 10.81 H new ATOM 0 HD2 PRO A 38 10.615 -1.238 -8.294 1.00 12.00 H new ATOM 0 HD3 PRO A 38 9.266 -0.257 -8.832 1.00 12.00 H new ATOM 610 N ASP A 39 10.429 -2.838 -5.437 1.00 11.20 N ATOM 611 CA ASP A 39 11.210 -3.633 -4.541 1.00 14.96 C ATOM 612 C ASP A 39 11.409 -3.056 -3.181 1.00 13.99 C ATOM 613 O ASP A 39 11.565 -3.753 -2.180 1.00 13.75 O ATOM 614 CB ASP A 39 12.511 -4.024 -5.263 1.00 24.16 C ATOM 615 CG ASP A 39 13.193 -2.776 -5.803 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.597 -2.143 -6.715 1.00 34.22 O ATOM 617 OD2 ASP A 39 14.296 -2.415 -5.312 1.00 35.55 O ATOM 0 H ASP A 39 10.991 -2.317 -6.110 1.00 11.20 H new ATOM 0 HA ASP A 39 10.644 -4.533 -4.301 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.177 -4.545 -4.576 1.00 24.16 H new ATOM 0 HB3 ASP A 39 12.292 -4.713 -6.079 1.00 24.16 H new ATOM 622 N GLN A 40 11.285 -1.719 -3.106 1.00 11.60 N ATOM 623 CA GLN A 40 11.431 -0.919 -1.930 1.00 10.76 C ATOM 624 C GLN A 40 10.132 -0.767 -1.216 1.00 8.01 C ATOM 625 O GLN A 40 10.096 -0.515 -0.013 1.00 8.96 O ATOM 626 CB GLN A 40 12.024 0.461 -2.263 1.00 11.14 C ATOM 627 CG GLN A 40 13.280 0.461 -3.136 1.00 14.85 C ATOM 628 CD GLN A 40 13.876 1.849 -3.319 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.460 2.833 -2.709 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.987 1.906 -4.102 1.00 18.16 N ATOM 0 H GLN A 40 11.067 -1.157 -3.929 1.00 11.60 H new ATOM 0 HA GLN A 40 12.126 -1.438 -1.269 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.258 1.052 -2.765 1.00 11.14 H new ATOM 0 HB3 GLN A 40 12.257 0.969 -1.327 1.00 11.14 H new ATOM 0 HG2 GLN A 40 14.028 -0.193 -2.688 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.037 0.044 -4.113 1.00 14.85 H new ATOM 0 HE21 GLN A 40 15.307 1.072 -4.595 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.500 2.782 -4.196 1.00 18.16 H new ATOM 639 N GLN A 41 8.977 -0.903 -1.893 1.00 6.52 N ATOM 640 CA GLN A 41 7.657 -0.658 -1.400 1.00 3.87 C ATOM 641 C GLN A 41 7.203 -1.808 -0.570 1.00 4.79 C ATOM 642 O GLN A 41 6.698 -2.829 -1.035 1.00 6.34 O ATOM 643 CB GLN A 41 6.704 -0.530 -2.601 1.00 4.20 C ATOM 644 CG GLN A 41 6.768 0.837 -3.284 1.00 3.20 C ATOM 645 CD GLN A 41 5.530 1.141 -4.117 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.362 1.125 -3.732 1.00 5.21 O ATOM 647 NE2 GLN A 41 5.766 1.203 -5.455 1.00 7.13 N ATOM 0 H GLN A 41 8.968 -1.210 -2.866 1.00 6.52 H new ATOM 0 HA GLN A 41 7.658 0.252 -0.799 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.944 -1.304 -3.330 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.683 -0.713 -2.266 1.00 4.20 H new ATOM 0 HG2 GLN A 41 6.889 1.611 -2.526 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.649 0.877 -3.924 1.00 3.20 H new ATOM 0 HE21 GLN A 41 6.724 1.218 -5.804 1.00 7.13 H new ATOM 0 HE22 GLN A 41 4.985 1.235 -6.110 1.00 7.13 H new ATOM 656 N ARG A 42 7.354 -1.698 0.762 1.00 5.73 N ATOM 657 CA ARG A 42 6.825 -2.621 1.718 1.00 6.97 C ATOM 658 C ARG A 42 5.727 -1.871 2.389 1.00 7.15 C ATOM 659 O ARG A 42 5.861 -0.731 2.831 1.00 7.33 O ATOM 660 CB ARG A 42 7.998 -3.112 2.584 1.00 13.23 C ATOM 661 CG ARG A 42 7.508 -3.632 3.937 1.00 21.27 C ATOM 662 CD ARG A 42 8.687 -3.787 4.899 1.00 26.14 C ATOM 663 NE ARG A 42 8.287 -4.605 6.078 1.00 32.26 N ATOM 664 CZ ARG A 42 8.826 -4.358 7.308 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.601 -3.265 7.570 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.399 -5.195 8.298 1.00 36.39 N ATOM 0 H ARG A 42 7.869 -0.930 1.192 1.00 5.73 H new ATOM 0 HA ARG A 42 6.386 -3.542 1.335 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.534 -3.903 2.060 1.00 13.23 H new ATOM 0 HB3 ARG A 42 8.705 -2.297 2.739 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.775 -2.943 4.356 1.00 21.27 H new ATOM 0 HG3 ARG A 42 7.006 -4.591 3.807 1.00 21.27 H new ATOM 0 HD2 ARG A 42 9.524 -4.261 4.386 1.00 26.14 H new ATOM 0 HD3 ARG A 42 9.029 -2.806 5.228 1.00 26.14 H new ATOM 0 HE ARG A 42 7.605 -5.355 5.966 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.799 -2.591 6.830 1.00 35.30 H new ATOM 0 HH12 ARG A 42 9.982 -3.122 8.505 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.728 -5.934 8.087 1.00 36.39 H new ATOM 0 HH22 ARG A 42 8.751 -5.082 9.249 1.00 36.39 H new ATOM 680 N LEU A 43 4.525 -2.473 2.417 1.00 4.65 N ATOM 681 CA LEU A 43 3.295 -1.847 2.792 1.00 3.51 C ATOM 682 C LEU A 43 2.890 -2.356 4.132 1.00 5.56 C ATOM 683 O LEU A 43 2.802 -3.577 4.260 1.00 4.19 O ATOM 684 CB LEU A 43 2.239 -2.157 1.717 1.00 3.74 C ATOM 685 CG LEU A 43 2.495 -1.372 0.420 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.905 -2.158 -0.763 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.876 0.036 0.432 1.00 9.55 C ATOM 0 H LEU A 43 4.405 -3.454 2.163 1.00 4.65 H new ATOM 0 HA LEU A 43 3.403 -0.765 2.860 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.243 -3.225 1.502 1.00 3.74 H new ATOM 0 HB3 LEU A 43 1.248 -1.913 2.100 1.00 3.74 H new ATOM 0 HG LEU A 43 3.574 -1.252 0.327 1.00 6.32 H new ATOM 0 HD11 LEU A 43 2.081 -1.610 -1.688 1.00 6.41 H new ATOM 0 HD12 LEU A 43 2.382 -3.136 -0.824 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.833 -2.286 -0.616 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.093 0.537 -0.512 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.797 -0.042 0.562 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.299 0.613 1.254 1.00 9.55 H new ATOM 699 N ILE A 44 2.615 -1.452 5.089 1.00 4.58 N ATOM 700 CA ILE A 44 2.205 -1.826 6.407 1.00 5.55 C ATOM 701 C ILE A 44 0.837 -1.295 6.662 1.00 5.46 C ATOM 702 O ILE A 44 0.569 -0.194 6.182 1.00 6.04 O ATOM 703 CB ILE A 44 3.120 -1.333 7.488 1.00 6.80 C ATOM 704 CG1 ILE A 44 4.574 -1.809 7.328 1.00 10.31 C ATOM 705 CG2 ILE A 44 2.612 -1.983 8.786 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.853 -3.311 7.283 1.00 13.90 C ATOM 0 H ILE A 44 2.678 -0.444 4.945 1.00 4.58 H new ATOM 0 HA ILE A 44 2.230 -2.915 6.441 1.00 5.55 H new ATOM 0 HB ILE A 44 3.115 -0.243 7.468 1.00 6.80 H new ATOM 0 HG12 ILE A 44 4.966 -1.372 6.409 1.00 10.31 H new ATOM 0 HG13 ILE A 44 5.152 -1.390 8.152 1.00 10.31 H new ATOM 0 HG21 ILE A 44 3.237 -1.665 9.621 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.582 -1.677 8.967 1.00 7.39 H new ATOM 0 HG23 ILE A 44 2.657 -3.068 8.691 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.924 -3.479 7.167 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.512 -3.772 8.210 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.323 -3.754 6.440 1.00 13.90 H new ATOM 718 N PHE A 45 -0.155 -1.968 7.273 1.00 6.75 N ATOM 719 CA PHE A 45 -1.279 -1.413 7.960 1.00 4.70 C ATOM 720 C PHE A 45 -1.368 -2.113 9.273 1.00 6.34 C ATOM 721 O PHE A 45 -1.330 -3.343 9.264 1.00 5.45 O ATOM 722 CB PHE A 45 -2.500 -1.509 7.029 1.00 5.51 C ATOM 723 CG PHE A 45 -3.657 -0.759 7.593 1.00 5.98 C ATOM 724 CD1 PHE A 45 -3.792 0.604 7.475 1.00 6.86 C ATOM 725 CD2 PHE A 45 -4.569 -1.488 8.320 1.00 5.87 C ATOM 726 CE1 PHE A 45 -4.814 1.220 8.159 1.00 6.68 C ATOM 727 CE2 PHE A 45 -5.608 -0.862 8.967 1.00 6.64 C ATOM 728 CZ PHE A 45 -5.708 0.509 8.925 1.00 6.84 C ATOM 0 H PHE A 45 -0.169 -2.988 7.286 1.00 6.75 H new ATOM 0 HA PHE A 45 -1.202 -0.352 8.196 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -2.246 -1.110 6.047 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -2.773 -2.555 6.887 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -3.113 1.177 6.861 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.468 -2.561 8.383 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -4.917 2.293 8.093 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.342 -1.444 9.505 1.00 6.64 H new ATOM 0 HZ PHE A 45 -6.477 1.020 9.485 1.00 6.84 H new ATOM 738 N ALA A 46 -1.428 -1.331 10.366 1.00 6.53 N ATOM 739 CA ALA A 46 -1.366 -1.627 11.763 1.00 7.15 C ATOM 740 C ALA A 46 -0.131 -2.357 12.165 1.00 9.00 C ATOM 741 O ALA A 46 0.942 -1.763 12.259 1.00 11.15 O ATOM 742 CB ALA A 46 -2.711 -2.325 12.027 1.00 8.99 C ATOM 0 H ALA A 46 -1.538 -0.325 10.238 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.260 -0.750 12.401 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -2.777 -2.601 13.079 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -3.528 -1.647 11.778 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -2.783 -3.222 11.411 1.00 8.99 H new ATOM 748 N GLY A 47 -0.187 -3.662 12.486 1.00 9.35 N ATOM 749 CA GLY A 47 0.938 -4.427 12.926 1.00 11.68 C ATOM 750 C GLY A 47 1.222 -5.500 11.932 1.00 11.14 C ATOM 751 O GLY A 47 2.060 -6.375 12.144 1.00 13.93 O ATOM 0 H GLY A 47 -1.049 -4.205 12.437 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.809 -3.782 13.041 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.735 -4.865 13.903 1.00 11.68 H new ATOM 755 N LYS A 48 0.565 -5.582 10.761 1.00 10.47 N ATOM 756 CA LYS A 48 0.728 -6.664 9.841 1.00 8.82 C ATOM 757 C LYS A 48 1.167 -6.096 8.536 1.00 7.68 C ATOM 758 O LYS A 48 0.666 -5.062 8.098 1.00 6.47 O ATOM 759 CB LYS A 48 -0.503 -7.586 9.823 1.00 9.74 C ATOM 760 CG LYS A 48 -0.236 -8.875 10.603 1.00 14.14 C ATOM 761 CD LYS A 48 -1.409 -9.851 10.490 1.00 16.32 C ATOM 762 CE LYS A 48 -1.325 -10.978 11.521 1.00 20.04 C ATOM 763 NZ LYS A 48 -0.136 -11.840 11.338 1.00 23.92 N ATOM 0 H LYS A 48 -0.099 -4.875 10.445 1.00 10.47 H new ATOM 0 HA LYS A 48 1.516 -7.350 10.152 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -1.358 -7.066 10.256 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -0.765 -7.828 8.793 1.00 9.74 H new ATOM 0 HG2 LYS A 48 0.671 -9.349 10.226 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -0.059 -8.637 11.652 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -2.345 -9.308 10.623 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -1.428 -10.279 9.488 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -1.304 -10.547 12.522 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -2.225 -11.590 11.456 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -0.132 -12.585 12.064 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -0.165 -12.276 10.394 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 0.726 -11.265 11.427 1.00 23.92 H new ATOM 777 N GLN A 49 2.073 -6.847 7.884 1.00 8.89 N ATOM 778 CA GLN A 49 2.573 -6.570 6.573 1.00 7.18 C ATOM 779 C GLN A 49 1.565 -6.938 5.539 1.00 8.23 C ATOM 780 O GLN A 49 1.007 -8.034 5.518 1.00 9.70 O ATOM 781 CB GLN A 49 3.917 -7.232 6.226 1.00 11.67 C ATOM 782 CG GLN A 49 4.559 -6.898 4.878 1.00 15.82 C ATOM 783 CD GLN A 49 5.989 -7.411 4.784 1.00 20.21 C ATOM 784 OE1 GLN A 49 6.926 -6.846 5.345 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.136 -8.480 3.956 1.00 20.67 N ATOM 0 H GLN A 49 2.477 -7.690 8.292 1.00 8.89 H new ATOM 0 HA GLN A 49 2.760 -5.496 6.577 1.00 7.18 H new ATOM 0 HB2 GLN A 49 4.629 -6.970 7.008 1.00 11.67 H new ATOM 0 HB3 GLN A 49 3.778 -8.312 6.270 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.964 -7.334 4.075 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.551 -5.818 4.730 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.317 -8.904 3.521 1.00 20.67 H new ATOM 0 HE22 GLN A 49 7.065 -8.857 3.770 1.00 20.67 H new ATOM 794 N LEU A 50 1.428 -6.051 4.538 1.00 6.51 N ATOM 795 CA LEU A 50 0.504 -6.260 3.466 1.00 7.41 C ATOM 796 C LEU A 50 1.117 -7.082 2.385 1.00 8.27 C ATOM 797 O LEU A 50 2.033 -6.639 1.694 1.00 8.34 O ATOM 798 CB LEU A 50 -0.066 -4.919 2.975 1.00 7.13 C ATOM 799 CG LEU A 50 -0.748 -4.060 4.053 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.004 -2.643 3.512 1.00 9.11 C ATOM 801 CD2 LEU A 50 -1.918 -4.838 4.678 1.00 8.14 C ATOM 0 H LEU A 50 1.960 -5.184 4.471 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.345 -6.837 3.832 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.744 -4.340 2.531 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -0.787 -5.118 2.183 1.00 7.13 H new ATOM 0 HG LEU A 50 -0.105 -3.870 4.912 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -1.487 -2.041 4.282 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.056 -2.183 3.234 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -1.651 -2.699 2.636 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -2.397 -4.224 5.441 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -2.644 -5.087 3.904 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -1.543 -5.755 5.133 1.00 8.14 H new ATOM 813 N GLU A 51 0.629 -8.317 2.168 1.00 9.43 N ATOM 814 CA GLU A 51 1.094 -9.269 1.208 1.00 11.90 C ATOM 815 C GLU A 51 0.396 -9.061 -0.092 1.00 11.49 C ATOM 816 O GLU A 51 -0.801 -8.857 -0.287 1.00 9.88 O ATOM 817 CB GLU A 51 0.839 -10.687 1.747 1.00 16.56 C ATOM 818 CG GLU A 51 1.059 -11.812 0.734 1.00 26.06 C ATOM 819 CD GLU A 51 1.031 -13.249 1.234 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.135 -13.702 1.389 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.104 -13.903 1.317 1.00 32.13 O ATOM 0 H GLU A 51 -0.156 -8.677 2.710 1.00 9.43 H new ATOM 0 HA GLU A 51 2.163 -9.139 1.041 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.491 -10.857 2.604 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.187 -10.742 2.112 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.299 -11.715 -0.041 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.024 -11.645 0.256 1.00 26.06 H new ATOM 828 N ASP A 52 1.273 -9.162 -1.107 1.00 12.71 N ATOM 829 CA ASP A 52 1.064 -8.719 -2.450 1.00 16.56 C ATOM 830 C ASP A 52 -0.221 -9.123 -3.088 1.00 15.83 C ATOM 831 O ASP A 52 -1.037 -8.302 -3.503 1.00 17.21 O ATOM 832 CB ASP A 52 2.283 -8.970 -3.353 1.00 21.05 C ATOM 833 CG ASP A 52 3.654 -8.803 -2.713 1.00 25.12 C ATOM 834 OD1 ASP A 52 3.874 -9.579 -1.745 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.459 -7.896 -3.052 1.00 25.82 O ATOM 0 H ASP A 52 2.193 -9.583 -0.978 1.00 12.71 H new ATOM 0 HA ASP A 52 0.953 -7.640 -2.340 1.00 16.56 H new ATOM 0 HB2 ASP A 52 2.212 -9.984 -3.746 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.220 -8.293 -4.205 1.00 21.05 H new ATOM 840 N GLY A 53 -0.493 -10.426 -3.277 1.00 15.00 N ATOM 841 CA GLY A 53 -1.621 -10.874 -4.034 1.00 11.77 C ATOM 842 C GLY A 53 -2.864 -11.041 -3.231 1.00 11.10 C ATOM 843 O GLY A 53 -3.828 -11.604 -3.747 1.00 11.25 O ATOM 0 H GLY A 53 0.079 -11.181 -2.899 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -1.813 -10.162 -4.837 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -1.375 -11.826 -4.505 1.00 11.77 H new ATOM 847 N ARG A 54 -2.950 -10.413 -2.044 1.00 8.53 N ATOM 848 CA ARG A 54 -4.179 -10.267 -1.327 1.00 9.05 C ATOM 849 C ARG A 54 -4.951 -9.019 -1.581 1.00 8.96 C ATOM 850 O ARG A 54 -4.443 -7.996 -2.038 1.00 11.60 O ATOM 851 CB ARG A 54 -3.800 -10.427 0.155 1.00 7.97 C ATOM 852 CG ARG A 54 -3.301 -11.811 0.574 1.00 9.62 C ATOM 853 CD ARG A 54 -3.157 -12.004 2.085 1.00 12.20 C ATOM 854 NE ARG A 54 -2.521 -13.330 2.325 1.00 18.23 N ATOM 855 CZ ARG A 54 -3.150 -14.379 2.930 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.388 -14.247 3.490 1.00 23.38 N ATOM 857 NH2 ARG A 54 -2.451 -15.546 3.039 1.00 25.50 N ATOM 0 H ARG A 54 -2.147 -9.997 -1.572 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.882 -11.023 -1.676 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.027 -9.697 0.393 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.671 -10.178 0.761 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -3.989 -12.563 0.189 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -2.335 -11.992 0.104 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -2.549 -11.207 2.514 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -4.132 -11.957 2.569 1.00 12.20 H new ATOM 0 HE ARG A 54 -1.557 -13.462 2.018 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -4.867 -13.347 3.463 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -4.834 -15.049 3.936 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -1.500 -15.607 2.676 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -2.880 -16.358 3.484 1.00 25.50 H new ATOM 871 N THR A 55 -6.189 -8.953 -1.059 1.00 9.05 N ATOM 872 CA THR A 55 -7.128 -7.877 -1.129 1.00 9.03 C ATOM 873 C THR A 55 -7.080 -7.068 0.121 1.00 8.15 C ATOM 874 O THR A 55 -6.536 -7.340 1.190 1.00 5.91 O ATOM 875 CB THR A 55 -8.576 -8.259 -1.218 1.00 11.15 C ATOM 876 OG1 THR A 55 -9.049 -9.133 -0.204 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.707 -9.069 -2.519 1.00 11.71 C ATOM 0 H THR A 55 -6.569 -9.739 -0.532 1.00 9.05 H new ATOM 0 HA THR A 55 -6.824 -7.366 -2.042 1.00 9.03 H new ATOM 0 HB THR A 55 -9.146 -7.333 -1.143 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.916 -8.814 0.124 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.743 -9.382 -2.650 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.406 -8.451 -3.365 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.066 -9.949 -2.466 1.00 11.71 H new ATOM 885 N LEU A 56 -7.626 -5.852 -0.061 1.00 6.91 N ATOM 886 CA LEU A 56 -7.871 -4.904 0.981 1.00 8.29 C ATOM 887 C LEU A 56 -8.956 -5.384 1.882 1.00 8.05 C ATOM 888 O LEU A 56 -8.808 -5.279 3.099 1.00 10.17 O ATOM 889 CB LEU A 56 -7.965 -3.433 0.541 1.00 6.60 C ATOM 890 CG LEU A 56 -6.677 -2.825 -0.040 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.290 -3.380 -1.421 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.978 -1.323 -0.170 1.00 9.85 C ATOM 0 H LEU A 56 -7.910 -5.514 -0.980 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.963 -4.862 1.583 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.754 -3.346 -0.206 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.271 -2.835 1.400 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.836 -3.063 0.611 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.372 -2.901 -1.761 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -6.133 -4.456 -1.350 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.090 -3.176 -2.132 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -6.107 -0.811 -0.579 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -7.829 -1.179 -0.835 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -7.212 -0.912 0.812 1.00 9.85 H new ATOM 904 N SER A 57 -10.018 -6.055 1.401 1.00 8.92 N ATOM 905 CA SER A 57 -10.929 -6.851 2.163 1.00 9.00 C ATOM 906 C SER A 57 -10.341 -7.880 3.066 1.00 9.44 C ATOM 907 O SER A 57 -10.835 -8.067 4.177 1.00 10.91 O ATOM 908 CB SER A 57 -12.034 -7.528 1.335 1.00 10.32 C ATOM 909 OG SER A 57 -11.472 -8.021 0.128 1.00 13.59 O ATOM 0 H SER A 57 -10.256 -6.039 0.409 1.00 8.92 H new ATOM 0 HA SER A 57 -11.354 -6.071 2.795 1.00 9.00 H new ATOM 0 HB2 SER A 57 -12.483 -8.344 1.902 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.830 -6.816 1.116 1.00 10.32 H new ATOM 0 HG SER A 57 -12.171 -8.455 -0.405 1.00 13.59 H new ATOM 915 N ASP A 58 -9.277 -8.604 2.676 1.00 9.11 N ATOM 916 CA ASP A 58 -8.723 -9.637 3.496 1.00 7.91 C ATOM 917 C ASP A 58 -8.040 -9.190 4.742 1.00 9.12 C ATOM 918 O ASP A 58 -7.845 -9.949 5.689 1.00 8.61 O ATOM 919 CB ASP A 58 -7.638 -10.353 2.674 1.00 8.41 C ATOM 920 CG ASP A 58 -7.445 -11.836 2.953 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.477 -12.559 2.953 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.327 -12.309 3.293 1.00 10.05 O ATOM 0 H ASP A 58 -8.797 -8.473 1.786 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.575 -10.248 3.794 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -7.875 -10.232 1.617 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -6.688 -9.847 2.847 1.00 8.41 H new ATOM 927 N TYR A 59 -7.465 -7.974 4.730 1.00 7.97 N ATOM 928 CA TYR A 59 -6.791 -7.313 5.804 1.00 8.45 C ATOM 929 C TYR A 59 -7.631 -6.381 6.608 1.00 10.98 C ATOM 930 O TYR A 59 -7.139 -5.669 7.482 1.00 12.95 O ATOM 931 CB TYR A 59 -5.554 -6.625 5.200 1.00 7.94 C ATOM 932 CG TYR A 59 -4.382 -7.512 4.959 1.00 6.91 C ATOM 933 CD1 TYR A 59 -3.576 -7.953 5.982 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.066 -7.914 3.682 1.00 4.59 C ATOM 935 CE1 TYR A 59 -2.396 -8.604 5.714 1.00 6.52 C ATOM 936 CE2 TYR A 59 -2.859 -8.517 3.417 1.00 5.39 C ATOM 937 CZ TYR A 59 -2.022 -8.923 4.429 1.00 6.76 C ATOM 938 OH TYR A 59 -0.804 -9.607 4.235 1.00 7.63 O ATOM 0 H TYR A 59 -7.474 -7.401 3.886 1.00 7.97 H new ATOM 0 HA TYR A 59 -6.508 -8.061 6.544 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -5.841 -6.166 4.254 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -5.247 -5.819 5.866 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -3.873 -7.786 7.007 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.772 -7.755 2.881 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -1.745 -8.872 6.533 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.562 -8.675 2.391 1.00 5.39 H new ATOM 0 HH TYR A 59 -0.078 -9.111 4.667 1.00 7.63 H new ATOM 948 N ASN A 60 -8.914 -6.310 6.211 1.00 12.38 N ATOM 949 CA ASN A 60 -9.876 -5.468 6.852 1.00 13.94 C ATOM 950 C ASN A 60 -9.624 -4.013 6.655 1.00 14.16 C ATOM 951 O ASN A 60 -9.862 -3.238 7.581 1.00 14.26 O ATOM 952 CB ASN A 60 -10.133 -5.895 8.307 1.00 19.23 C ATOM 953 CG ASN A 60 -10.543 -7.345 8.525 1.00 22.65 C ATOM 954 OD1 ASN A 60 -9.814 -8.195 9.034 1.00 25.45 O ATOM 955 ND2 ASN A 60 -11.783 -7.688 8.085 1.00 24.09 N ATOM 0 H ASN A 60 -9.291 -6.847 5.430 1.00 12.38 H new ATOM 0 HA ASN A 60 -10.825 -5.623 6.338 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -9.228 -5.706 8.884 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -10.913 -5.254 8.718 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -12.109 -8.650 8.177 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.387 -6.983 7.663 1.00 24.09 H new ATOM 962 N ILE A 61 -9.077 -3.587 5.503 1.00 11.08 N ATOM 963 CA ILE A 61 -8.675 -2.240 5.238 1.00 11.78 C ATOM 964 C ILE A 61 -9.880 -1.427 4.911 1.00 13.74 C ATOM 965 O ILE A 61 -10.611 -1.702 3.961 1.00 14.60 O ATOM 966 CB ILE A 61 -7.533 -2.068 4.281 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.309 -2.782 4.879 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.217 -0.609 3.912 1.00 13.29 C ATOM 969 CD1 ILE A 61 -5.114 -2.964 3.944 1.00 11.42 C ATOM 0 H ILE A 61 -8.906 -4.214 4.716 1.00 11.08 H new ATOM 0 HA ILE A 61 -8.227 -1.856 6.155 1.00 11.78 H new ATOM 0 HB ILE A 61 -7.823 -2.515 3.330 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -5.978 -2.222 5.754 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.623 -3.765 5.230 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.378 -0.583 3.216 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.090 -0.155 3.444 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -6.958 -0.054 4.813 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -4.312 -3.478 4.474 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -5.415 -3.555 3.079 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -4.761 -1.988 3.611 1.00 11.42 H new ATOM 981 N GLN A 62 -10.239 -0.409 5.713 1.00 13.97 N ATOM 982 CA GLN A 62 -11.438 0.355 5.560 1.00 15.52 C ATOM 983 C GLN A 62 -11.169 1.564 4.731 1.00 13.94 C ATOM 984 O GLN A 62 -10.041 1.887 4.360 1.00 12.15 O ATOM 985 CB GLN A 62 -12.180 0.770 6.842 1.00 19.53 C ATOM 986 CG GLN A 62 -12.586 -0.481 7.625 1.00 26.38 C ATOM 987 CD GLN A 62 -13.814 -1.210 7.099 1.00 30.61 C ATOM 988 OE1 GLN A 62 -14.823 -0.547 6.862 1.00 33.23 O ATOM 989 NE2 GLN A 62 -13.776 -2.516 6.723 1.00 32.71 N ATOM 0 H GLN A 62 -9.669 -0.105 6.502 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.121 -0.340 5.071 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -11.541 1.404 7.456 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.063 1.357 6.590 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -11.746 -1.175 7.628 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -12.769 -0.197 8.661 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -12.946 -3.077 6.913 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -14.578 -2.934 6.251 1.00 32.71 H new ATOM 998 N LYS A 63 -12.197 2.346 4.356 1.00 11.73 N ATOM 999 CA LYS A 63 -11.885 3.552 3.653 1.00 11.97 C ATOM 1000 C LYS A 63 -11.354 4.627 4.537 1.00 10.41 C ATOM 1001 O LYS A 63 -11.585 4.561 5.743 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.156 4.047 2.941 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.271 4.578 3.844 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.485 5.051 3.041 1.00 20.19 C ATOM 1005 CE LYS A 63 -16.697 5.380 3.915 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.847 5.973 3.197 1.00 25.97 N ATOM 0 H LYS A 63 -13.186 2.162 4.525 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.095 3.322 2.938 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -12.873 4.837 2.245 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.558 3.226 2.347 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.578 3.796 4.538 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -13.889 5.404 4.444 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.210 5.935 2.466 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -15.762 4.278 2.324 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.029 4.466 4.408 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -16.384 6.069 4.699 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.617 6.161 3.870 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -17.554 6.865 2.749 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -18.179 5.311 2.467 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.494 5.511 4.000 1.00 10.04 N ATOM 1021 CA GLU A 64 -9.862 6.671 4.546 1.00 10.94 C ATOM 1022 C GLU A 64 -8.938 6.277 5.647 1.00 9.74 C ATOM 1023 O GLU A 64 -8.766 7.045 6.593 1.00 9.42 O ATOM 1024 CB GLU A 64 -10.753 7.879 4.882 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.501 8.414 3.659 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.399 9.608 3.946 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -12.856 9.700 5.116 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -12.859 10.317 3.011 1.00 31.72 O ATOM 0 H GLU A 64 -10.201 5.385 3.031 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.286 7.088 3.720 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -11.474 7.593 5.648 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.138 8.674 5.304 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.774 8.696 2.898 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.107 7.611 3.239 1.00 24.16 H new ATOM 1035 N SER A 65 -8.188 5.169 5.514 1.00 6.85 N ATOM 1036 CA SER A 65 -7.246 4.596 6.426 1.00 6.90 C ATOM 1037 C SER A 65 -5.838 4.873 6.024 1.00 4.72 C ATOM 1038 O SER A 65 -5.566 4.988 4.830 1.00 3.91 O ATOM 1039 CB SER A 65 -7.448 3.087 6.640 1.00 7.28 C ATOM 1040 OG SER A 65 -8.730 2.815 7.187 1.00 10.56 O ATOM 0 H SER A 65 -8.252 4.610 4.663 1.00 6.85 H new ATOM 0 HA SER A 65 -7.439 5.087 7.380 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.336 2.564 5.690 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.676 2.705 7.308 1.00 7.28 H new ATOM 0 HG SER A 65 -9.320 2.474 6.483 1.00 10.56 H new ATOM 1046 N THR A 66 -4.961 5.046 7.029 1.00 4.48 N ATOM 1047 CA THR A 66 -3.605 5.356 6.696 1.00 3.80 C ATOM 1048 C THR A 66 -2.724 4.154 6.681 1.00 4.60 C ATOM 1049 O THR A 66 -2.464 3.572 7.733 1.00 5.33 O ATOM 1050 CB THR A 66 -2.921 6.404 7.523 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.740 7.556 7.389 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.537 6.766 6.958 1.00 3.40 C ATOM 0 H THR A 66 -5.174 4.976 8.024 1.00 4.48 H new ATOM 0 HA THR A 66 -3.733 5.775 5.698 1.00 3.80 H new ATOM 0 HB THR A 66 -2.787 6.052 8.546 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.356 8.293 7.908 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.076 7.528 7.586 1.00 3.40 H new ATOM 0 HG22 THR A 66 -0.906 5.877 6.943 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.647 7.150 5.944 1.00 3.40 H new ATOM 1060 N LEU A 67 -2.165 3.810 5.507 1.00 4.17 N ATOM 1061 CA LEU A 67 -1.080 2.893 5.341 1.00 3.85 C ATOM 1062 C LEU A 67 0.285 3.469 5.500 1.00 3.80 C ATOM 1063 O LEU A 67 0.601 4.594 5.118 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.169 2.164 3.990 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.341 1.209 3.704 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.710 1.908 3.652 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -2.305 0.509 2.335 1.00 8.12 C ATOM 0 H LEU A 67 -2.491 4.196 4.621 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.206 2.195 6.168 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.175 2.926 3.211 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.249 1.592 3.870 1.00 7.18 H new ATOM 0 HG LEU A 67 -2.223 0.512 4.534 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -4.487 1.172 3.446 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.910 2.388 4.610 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.705 2.660 2.863 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -3.175 -0.140 2.235 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.318 1.258 1.543 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -1.396 -0.087 2.255 1.00 8.12 H new ATOM 1079 N HIS A 68 1.270 2.610 5.818 1.00 2.94 N ATOM 1080 CA HIS A 68 2.672 2.890 5.869 1.00 4.17 C ATOM 1081 C HIS A 68 3.490 2.348 4.748 1.00 5.32 C ATOM 1082 O HIS A 68 3.553 1.139 4.530 1.00 7.70 O ATOM 1083 CB HIS A 68 3.280 2.511 7.230 1.00 5.57 C ATOM 1084 CG HIS A 68 2.329 2.763 8.362 1.00 9.95 C ATOM 1085 ND1 HIS A 68 2.093 3.959 9.009 1.00 13.74 N ATOM 1086 CD2 HIS A 68 1.435 1.892 8.902 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.108 3.724 9.918 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.661 2.483 9.880 1.00 16.30 N ATOM 0 H HIS A 68 1.067 1.640 6.059 1.00 2.94 H new ATOM 0 HA HIS A 68 2.720 3.971 5.739 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.561 1.458 7.221 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.194 3.083 7.390 1.00 5.57 H new ATOM 0 HD2 HIS A 68 1.342 0.859 8.601 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.732 4.474 10.598 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.080 2.061 10.440 1.00 16.30 H new ATOM 1096 N LEU A 69 4.024 3.255 3.911 1.00 5.29 N ATOM 1097 CA LEU A 69 4.895 2.828 2.860 1.00 3.97 C ATOM 1098 C LEU A 69 6.326 2.947 3.258 1.00 5.07 C ATOM 1099 O LEU A 69 6.840 4.060 3.356 1.00 4.34 O ATOM 1100 CB LEU A 69 4.627 3.781 1.683 1.00 6.08 C ATOM 1101 CG LEU A 69 5.186 3.329 0.323 1.00 7.37 C ATOM 1102 CD1 LEU A 69 4.465 2.173 -0.390 1.00 9.96 C ATOM 1103 CD2 LEU A 69 5.216 4.585 -0.565 1.00 6.87 C ATOM 0 H LEU A 69 3.859 4.260 3.958 1.00 5.29 H new ATOM 0 HA LEU A 69 4.710 1.783 2.612 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.550 3.917 1.586 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.051 4.756 1.924 1.00 6.08 H new ATOM 0 HG LEU A 69 6.168 2.896 0.512 1.00 7.37 H new ATOM 0 HD11 LEU A 69 4.965 1.960 -1.335 1.00 9.96 H new ATOM 0 HD12 LEU A 69 4.489 1.285 0.241 1.00 9.96 H new ATOM 0 HD13 LEU A 69 3.429 2.454 -0.583 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.606 4.326 -1.549 1.00 6.87 H new ATOM 0 HD22 LEU A 69 4.206 4.982 -0.668 1.00 6.87 H new ATOM 0 HD23 LEU A 69 5.857 5.339 -0.108 1.00 6.87 H new ATOM 1115 N VAL A 70 6.992 1.820 3.568 1.00 4.29 N ATOM 1116 CA VAL A 70 8.259 1.760 4.227 1.00 6.26 C ATOM 1117 C VAL A 70 9.358 1.197 3.393 1.00 9.22 C ATOM 1118 O VAL A 70 9.154 0.480 2.414 1.00 9.36 O ATOM 1119 CB VAL A 70 8.165 1.131 5.586 1.00 8.69 C ATOM 1120 CG1 VAL A 70 7.378 2.043 6.542 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.514 -0.259 5.485 1.00 8.54 C ATOM 0 H VAL A 70 6.623 0.896 3.345 1.00 4.29 H new ATOM 0 HA VAL A 70 8.550 2.798 4.385 1.00 6.26 H new ATOM 0 HB VAL A 70 9.170 1.006 5.989 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.317 1.575 7.524 1.00 9.76 H new ATOM 0 HG12 VAL A 70 7.886 3.004 6.629 1.00 9.76 H new ATOM 0 HG13 VAL A 70 6.372 2.198 6.151 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.452 -0.705 6.478 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.512 -0.162 5.067 1.00 8.54 H new ATOM 0 HG23 VAL A 70 8.116 -0.897 4.838 1.00 8.54 H new ATOM 1131 N LEU A 71 10.625 1.534 3.693 1.00 12.71 N ATOM 1132 CA LEU A 71 11.730 1.040 2.931 1.00 16.06 C ATOM 1133 C LEU A 71 12.037 -0.406 3.115 1.00 18.09 C ATOM 1134 O LEU A 71 12.654 -0.728 4.130 1.00 19.26 O ATOM 1135 CB LEU A 71 12.970 1.904 3.220 1.00 17.10 C ATOM 1136 CG LEU A 71 14.299 1.766 2.460 1.00 19.37 C ATOM 1137 CD1 LEU A 71 14.032 1.884 0.950 1.00 19.57 C ATOM 1138 CD2 LEU A 71 15.327 2.804 2.941 1.00 17.51 C ATOM 0 H LEU A 71 10.885 2.149 4.464 1.00 12.71 H new ATOM 0 HA LEU A 71 11.433 1.119 1.885 1.00 16.06 H new ATOM 0 HB2 LEU A 71 12.655 2.941 3.101 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.204 1.761 4.275 1.00 17.10 H new ATOM 0 HG LEU A 71 14.730 0.786 2.664 1.00 19.37 H new ATOM 0 HD11 LEU A 71 14.971 1.787 0.406 1.00 19.57 H new ATOM 0 HD12 LEU A 71 13.349 1.094 0.638 1.00 19.57 H new ATOM 0 HD13 LEU A 71 13.586 2.855 0.734 1.00 19.57 H new ATOM 0 HD21 LEU A 71 16.256 2.681 2.385 1.00 17.51 H new ATOM 0 HD22 LEU A 71 14.935 3.808 2.775 1.00 17.51 H new ATOM 0 HD23 LEU A 71 15.519 2.660 4.004 1.00 17.51 H new