USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 719 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 70 THR OG1 : rot 180:sc= -0.0544 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.0528 X(o=-0.11,f=0) USER MOD Set 2.1: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 46 MET CE :methyl 170:sc= 0 (180deg=-0.149) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 7 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Set 4.2: A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 159:sc= 1.79 (180deg=0.938) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 12 ASN : amide:sc= -0.0137 K(o=-0.014,f=-0.56) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.053) USER MOD Single : A 17 GLN : amide:sc= 0.47 X(o=0.47,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 27 TYR OH : rot 4:sc= 1.21 USER MOD Single : A 29 GLN : amide:sc= 0.79 K(o=0.79,f=-0.031) USER MOD Single : A 32 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 34 GLN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 42 SER OG : rot -39:sc= 0.974 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 1.13 (180deg=1.05) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.59) USER MOD Single : A 60 MET CE :methyl -168:sc= 0 (180deg=-0.146) USER MOD Single : A 61 CYS SG : rot 75:sc= 0.501 USER MOD Single : A 62 GLN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD Single : A 63 GLN : amide:sc= 0.46 X(o=0.46,f=0.77) USER MOD Single : A 68 THR OG1 : rot 129:sc= 1.12 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.867 K(o=0.87,f=0) USER MOD Single : A 82 TYR OH : rot 100:sc= 0.674 USER MOD Single : A 88 GLN : amide:sc= 0.671 K(o=0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 16.461 10.178 -11.161 1.00 0.00 N ATOM 31 CA GLN A 3 16.953 10.094 -9.780 1.00 0.00 C ATOM 32 C GLN A 3 15.801 9.989 -8.760 1.00 0.00 C ATOM 33 O GLN A 3 15.822 9.094 -7.911 1.00 0.00 O ATOM 34 CB GLN A 3 17.903 11.276 -9.500 1.00 0.00 C ATOM 35 CG GLN A 3 18.628 11.162 -8.147 1.00 0.00 C ATOM 36 CD GLN A 3 19.621 12.302 -7.906 1.00 0.00 C ATOM 37 OE1 GLN A 3 20.425 12.674 -8.750 1.00 0.00 O ATOM 38 NE2 GLN A 3 19.617 12.923 -6.752 1.00 0.00 N ATOM 0 HA GLN A 3 17.522 9.172 -9.661 1.00 0.00 H new ATOM 0 HB2 GLN A 3 18.643 11.336 -10.298 1.00 0.00 H new ATOM 0 HB3 GLN A 3 17.334 12.205 -9.523 1.00 0.00 H new ATOM 0 HG2 GLN A 3 17.890 11.154 -7.345 1.00 0.00 H new ATOM 0 HG3 GLN A 3 19.157 10.210 -8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 3 18.961 12.641 -6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 3 20.270 13.688 -6.582 1.00 0.00 H new ATOM 47 N PHE A 4 14.741 10.808 -8.862 1.00 0.00 N ATOM 48 CA PHE A 4 13.598 10.659 -7.942 1.00 0.00 C ATOM 49 C PHE A 4 12.784 9.386 -8.243 1.00 0.00 C ATOM 50 O PHE A 4 12.241 8.771 -7.324 1.00 0.00 O ATOM 51 CB PHE A 4 12.783 11.963 -7.749 1.00 0.00 C ATOM 52 CG PHE A 4 11.330 12.012 -8.210 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.976 11.681 -9.531 1.00 0.00 C ATOM 54 CD2 PHE A 4 10.332 12.493 -7.340 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.651 11.826 -9.979 1.00 0.00 C ATOM 56 CE2 PHE A 4 9.007 12.647 -7.785 1.00 0.00 C ATOM 57 CZ PHE A 4 8.666 12.325 -9.111 1.00 0.00 C ATOM 0 H PHE A 4 14.650 11.557 -9.548 1.00 0.00 H new ATOM 0 HA PHE A 4 14.000 10.492 -6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.797 12.204 -6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.317 12.762 -8.264 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.731 11.311 -10.209 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.587 12.746 -6.321 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.391 11.554 -10.991 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.250 13.013 -7.107 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.653 12.461 -9.460 1.00 0.00 H new ATOM 67 N GLU A 5 12.798 8.906 -9.495 1.00 0.00 N ATOM 68 CA GLU A 5 12.147 7.655 -9.917 1.00 0.00 C ATOM 69 C GLU A 5 12.823 6.380 -9.403 1.00 0.00 C ATOM 70 O GLU A 5 12.183 5.327 -9.434 1.00 0.00 O ATOM 71 CB GLU A 5 12.020 7.623 -11.450 1.00 0.00 C ATOM 72 CG GLU A 5 10.810 8.416 -11.967 1.00 0.00 C ATOM 73 CD GLU A 5 9.479 7.694 -11.713 1.00 0.00 C ATOM 74 OE1 GLU A 5 8.508 8.328 -11.228 1.00 0.00 O ATOM 75 OE2 GLU A 5 9.383 6.477 -12.001 1.00 0.00 O ATOM 0 H GLU A 5 13.272 9.386 -10.260 1.00 0.00 H new ATOM 0 HA GLU A 5 11.159 7.659 -9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.930 8.028 -11.893 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.938 6.588 -11.781 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.787 9.393 -11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.925 8.592 -13.037 1.00 0.00 H new ATOM 83 N LYS A 6 14.055 6.452 -8.876 1.00 0.00 N ATOM 84 CA LYS A 6 14.659 5.345 -8.111 1.00 0.00 C ATOM 85 C LYS A 6 14.531 5.529 -6.595 1.00 0.00 C ATOM 86 O LYS A 6 14.272 4.548 -5.894 1.00 0.00 O ATOM 87 CB LYS A 6 16.078 5.031 -8.624 1.00 0.00 C ATOM 88 CG LYS A 6 17.216 5.931 -8.113 1.00 0.00 C ATOM 89 CD LYS A 6 18.050 5.267 -7.009 1.00 0.00 C ATOM 90 CE LYS A 6 19.212 6.194 -6.639 1.00 0.00 C ATOM 91 NZ LYS A 6 20.280 5.488 -5.897 1.00 0.00 N ATOM 0 H LYS A 6 14.658 7.270 -8.966 1.00 0.00 H new ATOM 0 HA LYS A 6 14.079 4.441 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.315 4.001 -8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.065 5.085 -9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.868 6.193 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.794 6.862 -7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.430 5.072 -6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.430 4.304 -7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.630 6.629 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.837 7.019 -6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.044 6.156 -5.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.890 5.095 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.658 4.717 -6.483 1.00 0.00 H new ATOM 105 N GLN A 7 14.615 6.762 -6.075 1.00 0.00 N ATOM 106 CA GLN A 7 14.505 7.020 -4.633 1.00 0.00 C ATOM 107 C GLN A 7 13.077 6.813 -4.088 1.00 0.00 C ATOM 108 O GLN A 7 12.907 6.265 -2.999 1.00 0.00 O ATOM 109 CB GLN A 7 15.105 8.400 -4.299 1.00 0.00 C ATOM 110 CG GLN A 7 14.085 9.545 -4.192 1.00 0.00 C ATOM 111 CD GLN A 7 14.751 10.884 -3.893 1.00 0.00 C ATOM 112 OE1 GLN A 7 15.219 11.588 -4.782 1.00 0.00 O ATOM 113 NE2 GLN A 7 14.846 11.281 -2.644 1.00 0.00 N ATOM 0 H GLN A 7 14.760 7.601 -6.637 1.00 0.00 H new ATOM 0 HA GLN A 7 15.096 6.271 -4.106 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.645 8.326 -3.355 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.837 8.656 -5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.526 9.620 -5.125 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.365 9.316 -3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.461 10.705 -1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.305 12.165 -2.423 1.00 0.00 H new ATOM 122 N LYS A 8 12.029 7.167 -4.855 1.00 0.00 N ATOM 123 CA LYS A 8 10.623 6.961 -4.443 1.00 0.00 C ATOM 124 C LYS A 8 10.262 5.477 -4.279 1.00 0.00 C ATOM 125 O LYS A 8 9.334 5.147 -3.545 1.00 0.00 O ATOM 126 CB LYS A 8 9.670 7.707 -5.400 1.00 0.00 C ATOM 127 CG LYS A 8 9.523 7.017 -6.763 1.00 0.00 C ATOM 128 CD LYS A 8 9.004 7.934 -7.880 1.00 0.00 C ATOM 129 CE LYS A 8 7.599 8.523 -7.700 1.00 0.00 C ATOM 130 NZ LYS A 8 7.228 9.262 -8.930 1.00 0.00 N ATOM 0 H LYS A 8 12.129 7.601 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 8 10.501 7.392 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.688 7.790 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.038 8.722 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.491 6.614 -7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.844 6.171 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.706 8.760 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.019 7.372 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.879 7.728 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.577 9.190 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.194 9.357 -8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.662 10.207 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.567 8.741 -9.764 1.00 0.00 H new ATOM 144 N GLU A 9 11.027 4.590 -4.916 1.00 0.00 N ATOM 145 CA GLU A 9 10.945 3.130 -4.752 1.00 0.00 C ATOM 146 C GLU A 9 11.877 2.608 -3.638 1.00 0.00 C ATOM 147 O GLU A 9 11.490 1.708 -2.891 1.00 0.00 O ATOM 148 CB GLU A 9 11.252 2.448 -6.093 1.00 0.00 C ATOM 149 CG GLU A 9 10.447 3.040 -7.259 1.00 0.00 C ATOM 150 CD GLU A 9 10.552 2.183 -8.521 1.00 0.00 C ATOM 151 OE1 GLU A 9 11.665 1.772 -8.922 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.509 1.913 -9.163 1.00 0.00 O ATOM 0 H GLU A 9 11.745 4.872 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 9 9.930 2.882 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.317 2.542 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.036 1.383 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.400 3.130 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.806 4.047 -7.473 1.00 0.00 H new ATOM 160 N GLN A 10 13.057 3.222 -3.457 1.00 0.00 N ATOM 161 CA GLN A 10 14.001 2.926 -2.366 1.00 0.00 C ATOM 162 C GLN A 10 13.341 3.071 -0.984 1.00 0.00 C ATOM 163 O GLN A 10 13.540 2.217 -0.123 1.00 0.00 O ATOM 164 CB GLN A 10 15.214 3.869 -2.478 1.00 0.00 C ATOM 165 CG GLN A 10 16.370 3.547 -1.510 1.00 0.00 C ATOM 166 CD GLN A 10 17.415 4.665 -1.439 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.224 5.790 -1.888 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.576 4.427 -0.869 1.00 0.00 N ATOM 0 H GLN A 10 13.390 3.957 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 10 14.324 1.889 -2.463 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.592 3.833 -3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 10 14.881 4.891 -2.298 1.00 0.00 H new ATOM 0 HG2 GLN A 10 15.965 3.371 -0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.854 2.623 -1.825 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.775 3.504 -0.483 1.00 0.00 H new ATOM 0 HE22 GLN A 10 19.278 5.165 -0.813 1.00 0.00 H new ATOM 177 N GLY A 11 12.510 4.100 -0.769 1.00 0.00 N ATOM 178 CA GLY A 11 11.734 4.249 0.467 1.00 0.00 C ATOM 179 C GLY A 11 10.879 3.015 0.809 1.00 0.00 C ATOM 180 O GLY A 11 10.893 2.558 1.950 1.00 0.00 O ATOM 0 H GLY A 11 12.358 4.849 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.417 4.448 1.293 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.083 5.118 0.375 1.00 0.00 H new ATOM 184 N ASN A 12 10.211 2.400 -0.170 1.00 0.00 N ATOM 185 CA ASN A 12 9.449 1.164 0.035 1.00 0.00 C ATOM 186 C ASN A 12 10.382 -0.026 0.329 1.00 0.00 C ATOM 187 O ASN A 12 10.117 -0.792 1.255 1.00 0.00 O ATOM 188 CB ASN A 12 8.514 0.943 -1.167 1.00 0.00 C ATOM 189 CG ASN A 12 7.732 -0.358 -1.056 1.00 0.00 C ATOM 190 OD1 ASN A 12 6.779 -0.470 -0.299 1.00 0.00 O ATOM 191 ND2 ASN A 12 8.123 -1.377 -1.784 1.00 0.00 N ATOM 0 H ASN A 12 10.183 2.745 -1.129 1.00 0.00 H new ATOM 0 HA ASN A 12 8.821 1.253 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.818 1.778 -1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.101 0.935 -2.085 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.631 -2.268 -1.720 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.919 -1.278 -2.414 1.00 0.00 H new ATOM 198 N SER A 13 11.524 -0.131 -0.357 1.00 0.00 N ATOM 199 CA SER A 13 12.564 -1.132 -0.061 1.00 0.00 C ATOM 200 C SER A 13 13.103 -1.021 1.373 1.00 0.00 C ATOM 201 O SER A 13 13.360 -2.032 2.029 1.00 0.00 O ATOM 202 CB SER A 13 13.729 -0.990 -1.047 1.00 0.00 C ATOM 203 OG SER A 13 13.253 -1.022 -2.377 1.00 0.00 O ATOM 0 H SER A 13 11.758 0.479 -1.140 1.00 0.00 H new ATOM 0 HA SER A 13 12.095 -2.110 -0.165 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.256 -0.054 -0.865 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.447 -1.796 -0.891 1.00 0.00 H new ATOM 0 HG SER A 13 14.007 -0.929 -2.996 1.00 0.00 H new ATOM 209 N LEU A 14 13.234 0.196 1.909 1.00 0.00 N ATOM 210 CA LEU A 14 13.614 0.441 3.307 1.00 0.00 C ATOM 211 C LEU A 14 12.518 -0.024 4.289 1.00 0.00 C ATOM 212 O LEU A 14 12.849 -0.576 5.341 1.00 0.00 O ATOM 213 CB LEU A 14 13.975 1.929 3.474 1.00 0.00 C ATOM 214 CG LEU A 14 15.275 2.363 2.761 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.361 3.890 2.726 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.531 1.849 3.464 1.00 0.00 C ATOM 0 H LEU A 14 13.077 1.052 1.378 1.00 0.00 H new ATOM 0 HA LEU A 14 14.493 -0.155 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.150 2.533 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.070 2.149 4.537 1.00 0.00 H new ATOM 0 HG LEU A 14 15.234 1.938 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.279 4.191 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.503 4.290 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.362 4.278 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.415 2.183 2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.563 2.237 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.513 0.759 3.491 1.00 0.00 H new ATOM 228 N PHE A 15 11.232 0.081 3.929 1.00 0.00 N ATOM 229 CA PHE A 15 10.122 -0.517 4.691 1.00 0.00 C ATOM 230 C PHE A 15 10.057 -2.051 4.620 1.00 0.00 C ATOM 231 O PHE A 15 9.573 -2.671 5.569 1.00 0.00 O ATOM 232 CB PHE A 15 8.774 0.070 4.260 1.00 0.00 C ATOM 233 CG PHE A 15 8.474 1.447 4.809 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.176 1.598 6.174 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.420 2.565 3.957 1.00 0.00 C ATOM 236 CE1 PHE A 15 7.875 2.867 6.694 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.111 3.832 4.480 1.00 0.00 C ATOM 238 CZ PHE A 15 7.843 3.985 5.849 1.00 0.00 C ATOM 0 H PHE A 15 10.928 0.586 3.096 1.00 0.00 H new ATOM 0 HA PHE A 15 10.329 -0.260 5.730 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.745 0.115 3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.982 -0.610 4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.179 0.736 6.825 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.616 2.450 2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.668 2.982 7.748 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.080 4.691 3.826 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.613 4.961 6.250 1.00 0.00 H new ATOM 248 N LYS A 16 10.559 -2.702 3.562 1.00 0.00 N ATOM 249 CA LYS A 16 10.787 -4.166 3.598 1.00 0.00 C ATOM 250 C LYS A 16 11.889 -4.510 4.611 1.00 0.00 C ATOM 251 O LYS A 16 11.664 -5.317 5.514 1.00 0.00 O ATOM 252 CB LYS A 16 11.120 -4.733 2.205 1.00 0.00 C ATOM 253 CG LYS A 16 9.911 -5.145 1.343 1.00 0.00 C ATOM 254 CD LYS A 16 9.125 -3.973 0.737 1.00 0.00 C ATOM 255 CE LYS A 16 7.843 -3.612 1.502 1.00 0.00 C ATOM 256 NZ LYS A 16 6.730 -4.507 1.106 1.00 0.00 N ATOM 0 H LYS A 16 10.813 -2.254 2.682 1.00 0.00 H new ATOM 0 HA LYS A 16 9.858 -4.637 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.695 -3.986 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.765 -5.602 2.332 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.261 -5.787 0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.233 -5.742 1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.772 -3.097 0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.863 -4.219 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.018 -3.693 2.575 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.573 -2.575 1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.907 -4.328 1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.473 -4.324 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.028 -5.498 1.209 1.00 0.00 H new ATOM 270 N GLN A 17 13.041 -3.842 4.514 1.00 0.00 N ATOM 271 CA GLN A 17 14.237 -4.109 5.340 1.00 0.00 C ATOM 272 C GLN A 17 14.074 -3.791 6.837 1.00 0.00 C ATOM 273 O GLN A 17 14.680 -4.470 7.669 1.00 0.00 O ATOM 274 CB GLN A 17 15.415 -3.294 4.798 1.00 0.00 C ATOM 275 CG GLN A 17 15.966 -3.871 3.489 1.00 0.00 C ATOM 276 CD GLN A 17 16.853 -2.846 2.810 1.00 0.00 C ATOM 277 OE1 GLN A 17 18.082 -2.882 2.862 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.237 -1.865 2.198 1.00 0.00 N ATOM 0 H GLN A 17 13.179 -3.083 3.847 1.00 0.00 H new ATOM 0 HA GLN A 17 14.408 -5.183 5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.097 -2.264 4.634 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.209 -3.267 5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 17 16.533 -4.779 3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.144 -4.149 2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.218 -1.847 2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.777 -1.120 1.758 1.00 0.00 H new ATOM 287 N GLY A 18 13.293 -2.762 7.180 1.00 0.00 N ATOM 288 CA GLY A 18 12.971 -2.380 8.569 1.00 0.00 C ATOM 289 C GLY A 18 13.301 -0.931 8.962 1.00 0.00 C ATOM 290 O GLY A 18 13.027 -0.529 10.090 1.00 0.00 O ATOM 0 H GLY A 18 12.854 -2.154 6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.906 -2.547 8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.506 -3.049 9.243 1.00 0.00 H new ATOM 294 N LEU A 19 13.853 -0.134 8.042 1.00 0.00 N ATOM 295 CA LEU A 19 14.396 1.220 8.246 1.00 0.00 C ATOM 296 C LEU A 19 13.317 2.289 8.048 1.00 0.00 C ATOM 297 O LEU A 19 13.448 3.219 7.253 1.00 0.00 O ATOM 298 CB LEU A 19 15.648 1.384 7.364 1.00 0.00 C ATOM 299 CG LEU A 19 16.787 0.398 7.698 1.00 0.00 C ATOM 300 CD1 LEU A 19 17.895 0.525 6.656 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.385 0.652 9.084 1.00 0.00 C ATOM 0 H LEU A 19 13.940 -0.433 7.071 1.00 0.00 H new ATOM 0 HA LEU A 19 14.716 1.361 9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.363 1.254 6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.022 2.403 7.468 1.00 0.00 H new ATOM 0 HG LEU A 19 16.360 -0.605 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.699 -0.172 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.494 0.295 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.284 1.543 6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.182 -0.067 9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.790 1.663 9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.609 0.541 9.841 1.00 0.00 H new ATOM 313 N TYR A 20 12.216 2.105 8.773 1.00 0.00 N ATOM 314 CA TYR A 20 10.972 2.862 8.649 1.00 0.00 C ATOM 315 C TYR A 20 11.174 4.383 8.811 1.00 0.00 C ATOM 316 O TYR A 20 10.543 5.159 8.097 1.00 0.00 O ATOM 317 CB TYR A 20 9.963 2.339 9.694 1.00 0.00 C ATOM 318 CG TYR A 20 9.464 0.892 9.600 1.00 0.00 C ATOM 319 CD1 TYR A 20 9.953 -0.027 8.644 1.00 0.00 C ATOM 320 CD2 TYR A 20 8.482 0.459 10.517 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.482 -1.355 8.624 1.00 0.00 C ATOM 322 CE2 TYR A 20 7.993 -0.864 10.484 1.00 0.00 C ATOM 323 CZ TYR A 20 8.503 -1.783 9.542 1.00 0.00 C ATOM 324 OH TYR A 20 8.070 -3.077 9.524 1.00 0.00 O ATOM 0 H TYR A 20 12.164 1.389 9.498 1.00 0.00 H new ATOM 0 HA TYR A 20 10.589 2.712 7.640 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.415 2.466 10.678 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.089 2.989 9.659 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.693 0.291 7.924 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.100 1.150 11.254 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.875 -2.051 7.898 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.228 -1.174 11.180 1.00 0.00 H new ATOM 0 HH TYR A 20 7.395 -3.206 10.223 1.00 0.00 H new ATOM 334 N ARG A 21 12.071 4.835 9.699 1.00 0.00 N ATOM 335 CA ARG A 21 12.292 6.272 9.970 1.00 0.00 C ATOM 336 C ARG A 21 13.238 6.930 8.966 1.00 0.00 C ATOM 337 O ARG A 21 13.070 8.111 8.664 1.00 0.00 O ATOM 338 CB ARG A 21 12.754 6.502 11.421 1.00 0.00 C ATOM 339 CG ARG A 21 11.622 6.389 12.458 1.00 0.00 C ATOM 340 CD ARG A 21 11.228 4.950 12.818 1.00 0.00 C ATOM 341 NE ARG A 21 10.094 4.928 13.759 1.00 0.00 N ATOM 342 CZ ARG A 21 9.337 3.889 14.053 1.00 0.00 C ATOM 343 NH1 ARG A 21 9.594 2.690 13.620 1.00 0.00 N ATOM 344 NH2 ARG A 21 8.285 4.017 14.797 1.00 0.00 N ATOM 0 H ARG A 21 12.666 4.219 10.252 1.00 0.00 H new ATOM 0 HA ARG A 21 11.327 6.763 9.842 1.00 0.00 H new ATOM 0 HB2 ARG A 21 13.531 5.777 11.664 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.206 7.491 11.496 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.927 6.907 13.367 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.743 6.908 12.075 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.963 4.405 11.912 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.081 4.436 13.261 1.00 0.00 H new ATOM 0 HE ARG A 21 9.872 5.805 14.230 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.408 2.525 13.028 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.981 1.914 13.872 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.030 4.933 15.166 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.711 3.202 15.014 1.00 0.00 H new ATOM 358 N GLU A 22 14.171 6.182 8.381 1.00 0.00 N ATOM 359 CA GLU A 22 14.928 6.634 7.202 1.00 0.00 C ATOM 360 C GLU A 22 14.074 6.619 5.926 1.00 0.00 C ATOM 361 O GLU A 22 14.285 7.449 5.038 1.00 0.00 O ATOM 362 CB GLU A 22 16.176 5.763 7.017 1.00 0.00 C ATOM 363 CG GLU A 22 17.357 6.325 7.812 1.00 0.00 C ATOM 364 CD GLU A 22 18.518 5.334 7.788 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.402 5.477 6.906 1.00 0.00 O ATOM 366 OE2 GLU A 22 18.537 4.393 8.616 1.00 0.00 O ATOM 0 H GLU A 22 14.427 5.249 8.704 1.00 0.00 H new ATOM 0 HA GLU A 22 15.227 7.667 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 22 15.965 4.744 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.435 5.712 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.672 7.278 7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.054 6.519 8.841 1.00 0.00 H new ATOM 374 N ALA A 23 13.082 5.727 5.848 1.00 0.00 N ATOM 375 CA ALA A 23 12.101 5.719 4.764 1.00 0.00 C ATOM 376 C ALA A 23 11.136 6.921 4.822 1.00 0.00 C ATOM 377 O ALA A 23 10.938 7.592 3.808 1.00 0.00 O ATOM 378 CB ALA A 23 11.359 4.382 4.787 1.00 0.00 C ATOM 0 H ALA A 23 12.938 4.989 6.538 1.00 0.00 H new ATOM 0 HA ALA A 23 12.627 5.826 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.623 4.361 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.071 3.568 4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.854 4.263 5.745 1.00 0.00 H new ATOM 384 N VAL A 24 10.590 7.264 5.999 1.00 0.00 N ATOM 385 CA VAL A 24 9.800 8.504 6.187 1.00 0.00 C ATOM 386 C VAL A 24 10.644 9.749 5.875 1.00 0.00 C ATOM 387 O VAL A 24 10.137 10.677 5.239 1.00 0.00 O ATOM 388 CB VAL A 24 9.186 8.576 7.605 1.00 0.00 C ATOM 389 CG1 VAL A 24 8.486 9.912 7.892 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.112 7.496 7.791 1.00 0.00 C ATOM 0 H VAL A 24 10.679 6.699 6.844 1.00 0.00 H new ATOM 0 HA VAL A 24 8.972 8.479 5.478 1.00 0.00 H new ATOM 0 HB VAL A 24 10.030 8.443 8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.077 9.899 8.902 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.205 10.726 7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.678 10.061 7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.695 7.567 8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.319 7.642 7.058 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.558 6.511 7.652 1.00 0.00 H new ATOM 400 N HIS A 25 11.937 9.744 6.226 1.00 0.00 N ATOM 401 CA HIS A 25 12.868 10.822 5.879 1.00 0.00 C ATOM 402 C HIS A 25 13.044 10.973 4.354 1.00 0.00 C ATOM 403 O HIS A 25 12.915 12.091 3.852 1.00 0.00 O ATOM 404 CB HIS A 25 14.206 10.604 6.607 1.00 0.00 C ATOM 405 CG HIS A 25 15.056 11.847 6.693 1.00 0.00 C ATOM 406 ND1 HIS A 25 15.735 12.442 5.658 1.00 0.00 N ATOM 407 CD2 HIS A 25 15.290 12.607 7.809 1.00 0.00 C ATOM 408 CE1 HIS A 25 16.338 13.547 6.121 1.00 0.00 C ATOM 409 NE2 HIS A 25 16.092 13.695 7.435 1.00 0.00 N ATOM 0 H HIS A 25 12.366 8.989 6.760 1.00 0.00 H new ATOM 0 HA HIS A 25 12.445 11.768 6.217 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.007 10.240 7.615 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.768 9.825 6.092 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.921 12.404 8.803 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.935 14.221 5.525 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.423 14.448 8.039 1.00 0.00 H new ATOM 418 N CYS A 26 13.234 9.871 3.609 1.00 0.00 N ATOM 419 CA CYS A 26 13.291 9.862 2.135 1.00 0.00 C ATOM 420 C CYS A 26 12.035 10.495 1.520 1.00 0.00 C ATOM 421 O CYS A 26 12.128 11.387 0.673 1.00 0.00 O ATOM 422 CB CYS A 26 13.464 8.408 1.643 1.00 0.00 C ATOM 423 SG CYS A 26 13.373 8.315 -0.169 1.00 0.00 S ATOM 0 H CYS A 26 13.354 8.945 4.020 1.00 0.00 H new ATOM 0 HA CYS A 26 14.144 10.461 1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 26 14.423 8.018 1.982 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.690 7.778 2.082 1.00 0.00 H new ATOM 0 HG CYS A 26 13.524 7.081 -0.548 1.00 0.00 H new ATOM 429 N TYR A 27 10.854 10.096 1.990 1.00 0.00 N ATOM 430 CA TYR A 27 9.597 10.633 1.468 1.00 0.00 C ATOM 431 C TYR A 27 9.363 12.112 1.821 1.00 0.00 C ATOM 432 O TYR A 27 8.833 12.854 0.991 1.00 0.00 O ATOM 433 CB TYR A 27 8.443 9.694 1.840 1.00 0.00 C ATOM 434 CG TYR A 27 8.502 8.367 1.095 1.00 0.00 C ATOM 435 CD1 TYR A 27 8.548 8.361 -0.312 1.00 0.00 C ATOM 436 CD2 TYR A 27 8.518 7.140 1.791 1.00 0.00 C ATOM 437 CE1 TYR A 27 8.580 7.151 -1.027 1.00 0.00 C ATOM 438 CE2 TYR A 27 8.530 5.922 1.079 1.00 0.00 C ATOM 439 CZ TYR A 27 8.556 5.927 -0.331 1.00 0.00 C ATOM 440 OH TYR A 27 8.581 4.757 -1.016 1.00 0.00 O ATOM 0 H TYR A 27 10.741 9.404 2.730 1.00 0.00 H new ATOM 0 HA TYR A 27 9.657 10.657 0.380 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.465 9.505 2.913 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.495 10.186 1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.559 9.298 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.521 7.133 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.623 7.160 -2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.519 4.984 1.615 1.00 0.00 H new ATOM 0 HH TYR A 27 8.685 4.940 -1.973 1.00 0.00 H new ATOM 450 N ASP A 28 9.875 12.597 2.958 1.00 0.00 N ATOM 451 CA ASP A 28 9.917 14.034 3.259 1.00 0.00 C ATOM 452 C ASP A 28 10.902 14.806 2.354 1.00 0.00 C ATOM 453 O ASP A 28 10.696 16.003 2.122 1.00 0.00 O ATOM 454 CB ASP A 28 10.244 14.266 4.747 1.00 0.00 C ATOM 455 CG ASP A 28 9.068 14.028 5.701 1.00 0.00 C ATOM 456 OD1 ASP A 28 7.886 14.122 5.286 1.00 0.00 O ATOM 457 OD2 ASP A 28 9.310 13.823 6.913 1.00 0.00 O ATOM 0 H ASP A 28 10.270 12.009 3.692 1.00 0.00 H new ATOM 0 HA ASP A 28 8.924 14.431 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.065 13.609 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.596 15.290 4.873 1.00 0.00 H new ATOM 463 N GLN A 29 11.920 14.155 1.770 1.00 0.00 N ATOM 464 CA GLN A 29 12.783 14.804 0.772 1.00 0.00 C ATOM 465 C GLN A 29 12.025 15.060 -0.535 1.00 0.00 C ATOM 466 O GLN A 29 12.249 16.103 -1.157 1.00 0.00 O ATOM 467 CB GLN A 29 14.082 14.029 0.478 1.00 0.00 C ATOM 468 CG GLN A 29 14.941 13.625 1.686 1.00 0.00 C ATOM 469 CD GLN A 29 15.056 14.706 2.754 1.00 0.00 C ATOM 470 OE1 GLN A 29 15.833 15.647 2.645 1.00 0.00 O ATOM 471 NE2 GLN A 29 14.278 14.634 3.807 1.00 0.00 N ATOM 0 H GLN A 29 12.164 13.185 1.970 1.00 0.00 H new ATOM 0 HA GLN A 29 13.075 15.755 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.820 13.124 -0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.696 14.637 -0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.517 12.727 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.941 13.365 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.627 13.855 3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.323 15.357 4.525 1.00 0.00 H new ATOM 480 N LEU A 30 11.100 14.171 -0.934 1.00 0.00 N ATOM 481 CA LEU A 30 10.259 14.422 -2.116 1.00 0.00 C ATOM 482 C LEU A 30 9.378 15.654 -1.878 1.00 0.00 C ATOM 483 O LEU A 30 9.349 16.556 -2.712 1.00 0.00 O ATOM 484 CB LEU A 30 9.365 13.229 -2.513 1.00 0.00 C ATOM 485 CG LEU A 30 9.990 11.828 -2.517 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.997 10.835 -3.127 1.00 0.00 C ATOM 487 CD2 LEU A 30 11.291 11.730 -3.305 1.00 0.00 C ATOM 0 H LEU A 30 10.917 13.285 -0.463 1.00 0.00 H new ATOM 0 HA LEU A 30 10.948 14.588 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.512 13.212 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.974 13.423 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 30 10.221 11.600 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.437 9.838 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.082 10.825 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.765 11.134 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.668 10.708 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.108 12.003 -4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.028 12.409 -2.876 1.00 0.00 H new ATOM 499 N ILE A 31 8.697 15.725 -0.727 1.00 0.00 N ATOM 500 CA ILE A 31 7.815 16.855 -0.386 1.00 0.00 C ATOM 501 C ILE A 31 8.618 18.161 -0.280 1.00 0.00 C ATOM 502 O ILE A 31 8.173 19.187 -0.783 1.00 0.00 O ATOM 503 CB ILE A 31 6.989 16.556 0.890 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.168 15.257 0.689 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.058 17.738 1.223 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.210 14.898 1.831 1.00 0.00 C ATOM 0 H ILE A 31 8.740 15.005 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 31 7.096 16.990 -1.194 1.00 0.00 H new ATOM 0 HB ILE A 31 7.672 16.417 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.590 15.352 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.861 14.428 0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.486 17.509 2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.654 18.635 1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.374 17.908 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.686 13.973 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.776 14.764 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.486 15.701 1.964 1.00 0.00 H new ATOM 518 N THR A 32 9.842 18.122 0.262 1.00 0.00 N ATOM 519 CA THR A 32 10.734 19.299 0.310 1.00 0.00 C ATOM 520 C THR A 32 11.029 19.857 -1.093 1.00 0.00 C ATOM 521 O THR A 32 11.047 21.080 -1.277 1.00 0.00 O ATOM 522 CB THR A 32 12.053 18.965 1.031 1.00 0.00 C ATOM 523 OG1 THR A 32 11.809 18.458 2.331 1.00 0.00 O ATOM 524 CG2 THR A 32 12.942 20.197 1.215 1.00 0.00 C ATOM 0 H THR A 32 10.244 17.282 0.678 1.00 0.00 H new ATOM 0 HA THR A 32 10.208 20.069 0.874 1.00 0.00 H new ATOM 0 HB THR A 32 12.550 18.229 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.404 17.568 2.264 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.860 19.910 1.728 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.188 20.617 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.413 20.942 1.808 1.00 0.00 H new ATOM 532 N ALA A 33 11.226 18.987 -2.093 1.00 0.00 N ATOM 533 CA ALA A 33 11.517 19.376 -3.477 1.00 0.00 C ATOM 534 C ALA A 33 10.275 19.813 -4.286 1.00 0.00 C ATOM 535 O ALA A 33 10.386 20.669 -5.171 1.00 0.00 O ATOM 536 CB ALA A 33 12.255 18.210 -4.151 1.00 0.00 C ATOM 0 H ALA A 33 11.187 17.977 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 33 12.144 20.267 -3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.484 18.473 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.182 18.007 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.624 17.322 -4.134 1.00 0.00 H new ATOM 542 N GLN A 34 9.097 19.251 -3.987 1.00 0.00 N ATOM 543 CA GLN A 34 7.839 19.521 -4.699 1.00 0.00 C ATOM 544 C GLN A 34 6.606 19.564 -3.752 1.00 0.00 C ATOM 545 O GLN A 34 5.807 18.624 -3.728 1.00 0.00 O ATOM 546 CB GLN A 34 7.739 18.559 -5.898 1.00 0.00 C ATOM 547 CG GLN A 34 7.621 17.059 -5.571 1.00 0.00 C ATOM 548 CD GLN A 34 8.729 16.217 -6.181 1.00 0.00 C ATOM 549 OE1 GLN A 34 8.818 16.036 -7.389 1.00 0.00 O ATOM 550 NE2 GLN A 34 9.606 15.678 -5.372 1.00 0.00 N ATOM 0 H GLN A 34 8.988 18.580 -3.226 1.00 0.00 H new ATOM 0 HA GLN A 34 7.842 20.532 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.873 18.847 -6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.619 18.703 -6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.631 16.929 -4.489 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.658 16.692 -5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.532 15.829 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.363 15.107 -5.748 1.00 0.00 H new ATOM 559 N PRO A 35 6.429 20.643 -2.954 1.00 0.00 N ATOM 560 CA PRO A 35 5.454 20.691 -1.851 1.00 0.00 C ATOM 561 C PRO A 35 3.972 20.570 -2.214 1.00 0.00 C ATOM 562 O PRO A 35 3.189 20.112 -1.378 1.00 0.00 O ATOM 563 CB PRO A 35 5.672 22.045 -1.173 1.00 0.00 C ATOM 564 CG PRO A 35 7.140 22.345 -1.444 1.00 0.00 C ATOM 565 CD PRO A 35 7.316 21.798 -2.859 1.00 0.00 C ATOM 0 HA PRO A 35 5.640 19.812 -1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.021 22.813 -1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.463 21.997 -0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.356 23.412 -1.389 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.797 21.849 -0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.058 22.551 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.352 21.511 -3.041 1.00 0.00 H new ATOM 573 N GLN A 36 3.575 20.998 -3.416 1.00 0.00 N ATOM 574 CA GLN A 36 2.187 20.979 -3.903 1.00 0.00 C ATOM 575 C GLN A 36 1.931 19.875 -4.941 1.00 0.00 C ATOM 576 O GLN A 36 0.848 19.799 -5.528 1.00 0.00 O ATOM 577 CB GLN A 36 1.809 22.350 -4.487 1.00 0.00 C ATOM 578 CG GLN A 36 1.515 23.381 -3.395 1.00 0.00 C ATOM 579 CD GLN A 36 0.998 24.699 -3.965 1.00 0.00 C ATOM 580 OE1 GLN A 36 0.507 24.794 -5.087 1.00 0.00 O ATOM 581 NE2 GLN A 36 1.048 25.761 -3.198 1.00 0.00 N ATOM 0 H GLN A 36 4.228 21.379 -4.100 1.00 0.00 H new ATOM 0 HA GLN A 36 1.556 20.758 -3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.622 22.712 -5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.934 22.242 -5.127 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.778 22.973 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.423 23.567 -2.821 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.453 25.697 -2.264 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.682 26.651 -3.535 1.00 0.00 H new ATOM 590 N ASN A 37 2.920 19.026 -5.202 1.00 0.00 N ATOM 591 CA ASN A 37 2.786 17.922 -6.137 1.00 0.00 C ATOM 592 C ASN A 37 2.181 16.698 -5.427 1.00 0.00 C ATOM 593 O ASN A 37 2.792 16.172 -4.488 1.00 0.00 O ATOM 594 CB ASN A 37 4.158 17.626 -6.741 1.00 0.00 C ATOM 595 CG ASN A 37 4.387 18.380 -8.027 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.941 19.474 -8.066 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.954 17.793 -9.113 1.00 0.00 N ATOM 0 H ASN A 37 3.840 19.088 -4.767 1.00 0.00 H new ATOM 0 HA ASN A 37 2.105 18.184 -6.947 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.934 17.891 -6.023 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.248 16.556 -6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.074 18.245 -10.019 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.497 16.883 -9.053 1.00 0.00 H new ATOM 604 N PRO A 38 1.020 16.182 -5.875 1.00 0.00 N ATOM 605 CA PRO A 38 0.371 15.043 -5.230 1.00 0.00 C ATOM 606 C PRO A 38 1.205 13.752 -5.242 1.00 0.00 C ATOM 607 O PRO A 38 0.920 12.858 -4.444 1.00 0.00 O ATOM 608 CB PRO A 38 -0.975 14.887 -5.932 1.00 0.00 C ATOM 609 CG PRO A 38 -0.762 15.542 -7.297 1.00 0.00 C ATOM 610 CD PRO A 38 0.203 16.674 -6.976 1.00 0.00 C ATOM 0 HA PRO A 38 0.248 15.234 -4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.253 13.838 -6.032 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.774 15.377 -5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.341 14.844 -8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.696 15.913 -7.719 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.818 16.924 -7.841 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.333 17.580 -6.694 1.00 0.00 H new ATOM 618 N VAL A 39 2.270 13.663 -6.058 1.00 0.00 N ATOM 619 CA VAL A 39 3.286 12.597 -5.980 1.00 0.00 C ATOM 620 C VAL A 39 3.756 12.375 -4.535 1.00 0.00 C ATOM 621 O VAL A 39 3.654 11.258 -4.029 1.00 0.00 O ATOM 622 CB VAL A 39 4.464 12.885 -6.947 1.00 0.00 C ATOM 623 CG1 VAL A 39 5.538 13.858 -6.448 1.00 0.00 C ATOM 624 CG2 VAL A 39 5.164 11.583 -7.331 1.00 0.00 C ATOM 0 H VAL A 39 2.452 14.338 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 39 2.826 11.663 -6.303 1.00 0.00 H new ATOM 0 HB VAL A 39 3.980 13.374 -7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.306 13.976 -7.213 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.083 14.826 -6.238 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.991 13.465 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.989 11.800 -8.010 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.550 11.099 -6.434 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.453 10.919 -7.824 1.00 0.00 H new ATOM 634 N GLY A 40 4.143 13.443 -3.826 1.00 0.00 N ATOM 635 CA GLY A 40 4.714 13.367 -2.480 1.00 0.00 C ATOM 636 C GLY A 40 3.711 12.860 -1.448 1.00 0.00 C ATOM 637 O GLY A 40 4.025 11.959 -0.673 1.00 0.00 O ATOM 0 H GLY A 40 4.066 14.397 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.582 12.707 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.069 14.354 -2.183 1.00 0.00 H new ATOM 641 N TYR A 41 2.472 13.352 -1.504 1.00 0.00 N ATOM 642 CA TYR A 41 1.372 12.862 -0.669 1.00 0.00 C ATOM 643 C TYR A 41 1.030 11.396 -0.964 1.00 0.00 C ATOM 644 O TYR A 41 0.829 10.614 -0.038 1.00 0.00 O ATOM 645 CB TYR A 41 0.141 13.753 -0.870 1.00 0.00 C ATOM 646 CG TYR A 41 0.283 15.132 -0.258 1.00 0.00 C ATOM 647 CD1 TYR A 41 0.046 15.298 1.120 1.00 0.00 C ATOM 648 CD2 TYR A 41 0.652 16.240 -1.048 1.00 0.00 C ATOM 649 CE1 TYR A 41 0.137 16.574 1.704 1.00 0.00 C ATOM 650 CE2 TYR A 41 0.762 17.516 -0.461 1.00 0.00 C ATOM 651 CZ TYR A 41 0.490 17.686 0.913 1.00 0.00 C ATOM 652 OH TYR A 41 0.572 18.916 1.480 1.00 0.00 O ATOM 0 H TYR A 41 2.201 14.107 -2.134 1.00 0.00 H new ATOM 0 HA TYR A 41 1.693 12.909 0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.051 13.857 -1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.729 13.260 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.206 14.443 1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.850 16.111 -2.102 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.063 16.702 2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.054 18.364 -1.063 1.00 0.00 H new ATOM 0 HH TYR A 41 0.827 19.573 0.800 1.00 0.00 H new ATOM 662 N SER A 42 1.022 10.984 -2.237 1.00 0.00 N ATOM 663 CA SER A 42 0.747 9.590 -2.606 1.00 0.00 C ATOM 664 C SER A 42 1.849 8.628 -2.151 1.00 0.00 C ATOM 665 O SER A 42 1.552 7.515 -1.706 1.00 0.00 O ATOM 666 CB SER A 42 0.453 9.478 -4.106 1.00 0.00 C ATOM 667 OG SER A 42 1.628 9.488 -4.893 1.00 0.00 O ATOM 0 H SER A 42 1.203 11.598 -3.031 1.00 0.00 H new ATOM 0 HA SER A 42 -0.148 9.279 -2.067 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.099 8.558 -4.296 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.190 10.304 -4.409 1.00 0.00 H new ATOM 0 HG SER A 42 2.267 10.129 -4.518 1.00 0.00 H new ATOM 673 N ASN A 43 3.110 9.067 -2.175 1.00 0.00 N ATOM 674 CA ASN A 43 4.247 8.323 -1.641 1.00 0.00 C ATOM 675 C ASN A 43 4.255 8.291 -0.099 1.00 0.00 C ATOM 676 O ASN A 43 4.528 7.241 0.481 1.00 0.00 O ATOM 677 CB ASN A 43 5.543 8.918 -2.219 1.00 0.00 C ATOM 678 CG ASN A 43 5.834 8.462 -3.638 1.00 0.00 C ATOM 679 OD1 ASN A 43 5.819 9.225 -4.589 1.00 0.00 O ATOM 680 ND2 ASN A 43 6.122 7.199 -3.832 1.00 0.00 N ATOM 0 H ASN A 43 3.371 9.968 -2.575 1.00 0.00 H new ATOM 0 HA ASN A 43 4.165 7.281 -1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.474 10.006 -2.201 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.379 8.641 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.331 6.862 -4.772 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.137 6.552 -3.043 1.00 0.00 H new ATOM 687 N LYS A 44 3.886 9.382 0.583 1.00 0.00 N ATOM 688 CA LYS A 44 3.786 9.419 2.054 1.00 0.00 C ATOM 689 C LYS A 44 2.590 8.608 2.583 1.00 0.00 C ATOM 690 O LYS A 44 2.715 7.934 3.602 1.00 0.00 O ATOM 691 CB LYS A 44 3.818 10.886 2.512 1.00 0.00 C ATOM 692 CG LYS A 44 3.996 11.048 4.032 1.00 0.00 C ATOM 693 CD LYS A 44 4.337 12.506 4.378 1.00 0.00 C ATOM 694 CE LYS A 44 4.564 12.694 5.883 1.00 0.00 C ATOM 695 NZ LYS A 44 5.180 14.012 6.177 1.00 0.00 N ATOM 0 H LYS A 44 3.647 10.266 0.134 1.00 0.00 H new ATOM 0 HA LYS A 44 4.646 8.917 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.632 11.401 2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.892 11.374 2.208 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.082 10.750 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.789 10.389 4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.232 12.809 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.528 13.157 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.613 12.609 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.208 11.898 6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.166 14.181 7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.163 14.019 5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.643 14.761 5.696 1.00 0.00 H new ATOM 709 N ALA A 45 1.484 8.535 1.839 1.00 0.00 N ATOM 710 CA ALA A 45 0.389 7.602 2.122 1.00 0.00 C ATOM 711 C ALA A 45 0.823 6.126 1.976 1.00 0.00 C ATOM 712 O ALA A 45 0.514 5.307 2.842 1.00 0.00 O ATOM 713 CB ALA A 45 -0.797 7.944 1.212 1.00 0.00 C ATOM 0 H ALA A 45 1.321 9.122 1.021 1.00 0.00 H new ATOM 0 HA ALA A 45 0.088 7.715 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.619 7.257 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.122 8.966 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.494 7.853 0.169 1.00 0.00 H new ATOM 719 N MET A 46 1.602 5.796 0.933 1.00 0.00 N ATOM 720 CA MET A 46 2.232 4.472 0.764 1.00 0.00 C ATOM 721 C MET A 46 3.175 4.143 1.933 1.00 0.00 C ATOM 722 O MET A 46 3.129 3.036 2.465 1.00 0.00 O ATOM 723 CB MET A 46 2.972 4.435 -0.583 1.00 0.00 C ATOM 724 CG MET A 46 3.645 3.108 -0.947 1.00 0.00 C ATOM 725 SD MET A 46 2.525 1.747 -1.367 1.00 0.00 S ATOM 726 CE MET A 46 3.693 0.710 -2.295 1.00 0.00 C ATOM 0 H MET A 46 1.815 6.445 0.176 1.00 0.00 H new ATOM 0 HA MET A 46 1.456 3.706 0.766 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.262 4.687 -1.371 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.733 5.215 -0.578 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.311 3.280 -1.792 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.268 2.796 -0.109 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.241 -0.263 -2.489 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.935 1.193 -3.242 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.604 0.577 -1.712 1.00 0.00 H new ATOM 736 N ALA A 47 3.978 5.109 2.385 1.00 0.00 N ATOM 737 CA ALA A 47 4.858 4.957 3.542 1.00 0.00 C ATOM 738 C ALA A 47 4.083 4.628 4.829 1.00 0.00 C ATOM 739 O ALA A 47 4.442 3.699 5.548 1.00 0.00 O ATOM 740 CB ALA A 47 5.666 6.252 3.696 1.00 0.00 C ATOM 0 H ALA A 47 4.035 6.030 1.951 1.00 0.00 H new ATOM 0 HA ALA A 47 5.525 4.112 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.332 6.165 4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.255 6.423 2.795 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.985 7.090 3.848 1.00 0.00 H new ATOM 746 N LEU A 48 2.986 5.342 5.102 1.00 0.00 N ATOM 747 CA LEU A 48 2.190 5.154 6.319 1.00 0.00 C ATOM 748 C LEU A 48 1.529 3.763 6.392 1.00 0.00 C ATOM 749 O LEU A 48 1.497 3.177 7.477 1.00 0.00 O ATOM 750 CB LEU A 48 1.186 6.317 6.440 1.00 0.00 C ATOM 751 CG LEU A 48 1.847 7.659 6.826 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.915 8.833 6.522 1.00 0.00 C ATOM 753 CD2 LEU A 48 2.206 7.711 8.314 1.00 0.00 C ATOM 0 H LEU A 48 2.624 6.068 4.484 1.00 0.00 H new ATOM 0 HA LEU A 48 2.851 5.178 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.664 6.437 5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.434 6.062 7.187 1.00 0.00 H new ATOM 0 HG LEU A 48 2.758 7.735 6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.403 9.767 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.686 8.849 5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.008 8.721 7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.668 8.671 8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.302 7.592 8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.904 6.907 8.548 1.00 0.00 H new ATOM 765 N ILE A 49 1.096 3.171 5.266 1.00 0.00 N ATOM 766 CA ILE A 49 0.610 1.772 5.249 1.00 0.00 C ATOM 767 C ILE A 49 1.745 0.743 5.378 1.00 0.00 C ATOM 768 O ILE A 49 1.597 -0.249 6.095 1.00 0.00 O ATOM 769 CB ILE A 49 -0.316 1.467 4.047 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.362 1.557 2.663 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.531 2.407 4.086 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.494 1.028 1.505 1.00 0.00 C ATOM 0 H ILE A 49 1.071 3.633 4.357 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.004 1.669 6.143 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.613 0.424 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.618 2.598 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.297 0.998 2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.184 2.193 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.080 2.254 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.193 3.442 4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.057 1.128 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.729 -0.022 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.419 1.602 1.444 1.00 0.00 H new ATOM 784 N LYS A 50 2.918 1.014 4.791 1.00 0.00 N ATOM 785 CA LYS A 50 4.128 0.177 4.917 1.00 0.00 C ATOM 786 C LYS A 50 4.788 0.268 6.313 1.00 0.00 C ATOM 787 O LYS A 50 5.589 -0.598 6.659 1.00 0.00 O ATOM 788 CB LYS A 50 5.084 0.511 3.750 1.00 0.00 C ATOM 789 CG LYS A 50 5.575 -0.714 2.962 1.00 0.00 C ATOM 790 CD LYS A 50 4.504 -1.520 2.202 1.00 0.00 C ATOM 791 CE LYS A 50 3.696 -0.746 1.153 1.00 0.00 C ATOM 792 NZ LYS A 50 2.764 -1.665 0.447 1.00 0.00 N ATOM 0 H LYS A 50 3.060 1.836 4.203 1.00 0.00 H new ATOM 0 HA LYS A 50 3.846 -0.873 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.577 1.190 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.949 1.044 4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.323 -0.379 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.078 -1.387 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.993 -2.360 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.809 -1.939 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.135 0.055 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.370 -0.278 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.221 -1.132 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.308 -2.415 -0.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.111 -2.092 1.134 1.00 0.00 H new ATOM 806 N LEU A 51 4.389 1.245 7.139 1.00 0.00 N ATOM 807 CA LEU A 51 4.730 1.382 8.566 1.00 0.00 C ATOM 808 C LEU A 51 3.657 0.738 9.469 1.00 0.00 C ATOM 809 O LEU A 51 3.985 0.047 10.435 1.00 0.00 O ATOM 810 CB LEU A 51 4.910 2.887 8.873 1.00 0.00 C ATOM 811 CG LEU A 51 5.867 3.230 10.031 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.082 4.745 10.078 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.395 2.786 11.414 1.00 0.00 C ATOM 0 H LEU A 51 3.788 2.002 6.815 1.00 0.00 H new ATOM 0 HA LEU A 51 5.658 0.852 8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.271 3.381 7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.932 3.311 9.099 1.00 0.00 H new ATOM 0 HG LEU A 51 6.782 2.678 9.817 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.759 4.991 10.896 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.515 5.080 9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.126 5.244 10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.136 3.073 12.161 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.443 3.265 11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.269 1.703 11.425 1.00 0.00 H new ATOM 825 N GLY A 52 2.373 0.919 9.140 1.00 0.00 N ATOM 826 CA GLY A 52 1.229 0.404 9.909 1.00 0.00 C ATOM 827 C GLY A 52 0.390 1.475 10.624 1.00 0.00 C ATOM 828 O GLY A 52 -0.322 1.175 11.586 1.00 0.00 O ATOM 0 H GLY A 52 2.091 1.441 8.310 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.579 -0.154 9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.599 -0.302 10.652 1.00 0.00 H new ATOM 832 N GLU A 53 0.455 2.725 10.165 1.00 0.00 N ATOM 833 CA GLU A 53 -0.400 3.842 10.599 1.00 0.00 C ATOM 834 C GLU A 53 -1.516 4.078 9.557 1.00 0.00 C ATOM 835 O GLU A 53 -1.717 5.181 9.043 1.00 0.00 O ATOM 836 CB GLU A 53 0.446 5.093 10.920 1.00 0.00 C ATOM 837 CG GLU A 53 1.650 4.871 11.858 1.00 0.00 C ATOM 838 CD GLU A 53 1.279 4.436 13.285 1.00 0.00 C ATOM 839 OE1 GLU A 53 2.171 3.949 14.022 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.102 4.589 13.695 1.00 0.00 O ATOM 0 H GLU A 53 1.130 3.003 9.452 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.899 3.591 11.535 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.813 5.510 9.982 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.206 5.843 11.369 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.301 4.114 11.419 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.226 5.794 11.912 1.00 0.00 H new ATOM 848 N TYR A 54 -2.223 2.994 9.211 1.00 0.00 N ATOM 849 CA TYR A 54 -3.278 2.926 8.195 1.00 0.00 C ATOM 850 C TYR A 54 -4.351 4.018 8.380 1.00 0.00 C ATOM 851 O TYR A 54 -4.736 4.679 7.416 1.00 0.00 O ATOM 852 CB TYR A 54 -3.922 1.522 8.229 1.00 0.00 C ATOM 853 CG TYR A 54 -2.957 0.346 8.282 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.247 -0.037 7.132 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.798 -0.389 9.478 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.380 -1.147 7.173 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.959 -1.521 9.513 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.254 -1.908 8.354 1.00 0.00 C ATOM 859 OH TYR A 54 -0.448 -3.004 8.353 1.00 0.00 O ATOM 0 H TYR A 54 -2.064 2.091 9.658 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.820 3.106 7.222 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.579 1.466 9.097 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.551 1.411 7.346 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.366 0.520 6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.322 -0.082 10.371 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.809 -1.416 6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.856 -2.091 10.425 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.464 -3.423 9.239 1.00 0.00 H new ATOM 869 N THR A 55 -4.766 4.280 9.622 1.00 0.00 N ATOM 870 CA THR A 55 -5.746 5.321 9.984 1.00 0.00 C ATOM 871 C THR A 55 -5.260 6.746 9.667 1.00 0.00 C ATOM 872 O THR A 55 -6.081 7.619 9.382 1.00 0.00 O ATOM 873 CB THR A 55 -6.116 5.184 11.470 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.658 3.901 11.698 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.179 6.170 11.948 1.00 0.00 C ATOM 0 H THR A 55 -4.423 3.762 10.431 1.00 0.00 H new ATOM 0 HA THR A 55 -6.631 5.164 9.368 1.00 0.00 H new ATOM 0 HB THR A 55 -5.190 5.376 12.012 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.894 3.809 12.645 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.380 6.004 13.006 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.822 7.189 11.802 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.096 6.022 11.377 1.00 0.00 H new ATOM 883 N GLN A 56 -3.943 6.992 9.626 1.00 0.00 N ATOM 884 CA GLN A 56 -3.384 8.270 9.146 1.00 0.00 C ATOM 885 C GLN A 56 -3.320 8.308 7.609 1.00 0.00 C ATOM 886 O GLN A 56 -3.548 9.353 6.992 1.00 0.00 O ATOM 887 CB GLN A 56 -1.981 8.532 9.713 1.00 0.00 C ATOM 888 CG GLN A 56 -1.782 8.144 11.179 1.00 0.00 C ATOM 889 CD GLN A 56 -2.773 8.729 12.171 1.00 0.00 C ATOM 890 OE1 GLN A 56 -3.054 9.925 12.210 1.00 0.00 O ATOM 891 NE2 GLN A 56 -3.306 7.879 13.019 1.00 0.00 N ATOM 0 H GLN A 56 -3.237 6.318 9.922 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.055 9.052 9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.256 7.986 9.109 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.755 9.592 9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.824 7.057 11.254 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.779 8.446 11.480 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.061 6.890 12.972 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.965 8.208 13.725 1.00 0.00 H new ATOM 900 N ALA A 57 -3.029 7.163 6.981 1.00 0.00 N ATOM 901 CA ALA A 57 -2.911 7.039 5.530 1.00 0.00 C ATOM 902 C ALA A 57 -4.250 7.286 4.815 1.00 0.00 C ATOM 903 O ALA A 57 -4.272 7.966 3.790 1.00 0.00 O ATOM 904 CB ALA A 57 -2.351 5.654 5.189 1.00 0.00 C ATOM 0 H ALA A 57 -2.867 6.286 7.477 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.226 7.808 5.173 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.260 5.554 4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.369 5.535 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.024 4.886 5.569 1.00 0.00 H new ATOM 910 N ILE A 58 -5.372 6.806 5.365 1.00 0.00 N ATOM 911 CA ILE A 58 -6.707 7.044 4.784 1.00 0.00 C ATOM 912 C ILE A 58 -7.097 8.533 4.796 1.00 0.00 C ATOM 913 O ILE A 58 -7.698 9.009 3.833 1.00 0.00 O ATOM 914 CB ILE A 58 -7.792 6.151 5.432 1.00 0.00 C ATOM 915 CG1 ILE A 58 -7.988 6.444 6.936 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.462 4.664 5.193 1.00 0.00 C ATOM 917 CD1 ILE A 58 -9.098 5.625 7.605 1.00 0.00 C ATOM 0 H ILE A 58 -5.385 6.246 6.218 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.644 6.752 3.736 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.741 6.389 4.951 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.049 6.252 7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.211 7.504 7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.231 4.042 5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.428 4.467 4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.494 4.430 5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.165 5.896 8.659 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.049 5.834 7.116 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.870 4.563 7.517 1.00 0.00 H new ATOM 929 N GLN A 59 -6.694 9.298 5.820 1.00 0.00 N ATOM 930 CA GLN A 59 -6.861 10.758 5.843 1.00 0.00 C ATOM 931 C GLN A 59 -6.030 11.413 4.731 1.00 0.00 C ATOM 932 O GLN A 59 -6.564 12.188 3.939 1.00 0.00 O ATOM 933 CB GLN A 59 -6.531 11.296 7.244 1.00 0.00 C ATOM 934 CG GLN A 59 -6.664 12.824 7.395 1.00 0.00 C ATOM 935 CD GLN A 59 -5.437 13.618 6.939 1.00 0.00 C ATOM 936 OE1 GLN A 59 -4.300 13.331 7.297 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.604 14.667 6.168 1.00 0.00 N ATOM 0 H GLN A 59 -6.244 8.923 6.655 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.900 11.017 5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.189 10.814 7.967 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.511 11.007 7.498 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.530 13.158 6.824 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.863 13.057 8.441 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.540 14.927 5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.798 15.222 5.880 1.00 0.00 H new ATOM 946 N MET A 60 -4.755 11.031 4.604 1.00 0.00 N ATOM 947 CA MET A 60 -3.860 11.549 3.561 1.00 0.00 C ATOM 948 C MET A 60 -4.329 11.188 2.138 1.00 0.00 C ATOM 949 O MET A 60 -4.155 11.982 1.217 1.00 0.00 O ATOM 950 CB MET A 60 -2.436 11.053 3.845 1.00 0.00 C ATOM 951 CG MET A 60 -1.396 11.798 3.003 1.00 0.00 C ATOM 952 SD MET A 60 0.323 11.463 3.474 1.00 0.00 S ATOM 953 CE MET A 60 0.414 12.361 5.050 1.00 0.00 C ATOM 0 H MET A 60 -4.312 10.352 5.223 1.00 0.00 H new ATOM 0 HA MET A 60 -3.877 12.638 3.595 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.209 11.185 4.903 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.375 9.985 3.637 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.533 11.529 1.956 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.580 12.869 3.083 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.454 12.436 5.366 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.000 13.361 4.923 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.158 11.825 5.808 1.00 0.00 H new ATOM 963 N CYS A 61 -4.990 10.042 1.943 1.00 0.00 N ATOM 964 CA CYS A 61 -5.591 9.673 0.658 1.00 0.00 C ATOM 965 C CYS A 61 -6.765 10.589 0.277 1.00 0.00 C ATOM 966 O CYS A 61 -6.823 11.072 -0.850 1.00 0.00 O ATOM 967 CB CYS A 61 -6.030 8.201 0.678 1.00 0.00 C ATOM 968 SG CYS A 61 -4.588 7.103 0.767 1.00 0.00 S ATOM 0 H CYS A 61 -5.123 9.343 2.674 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.827 9.805 -0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.683 8.023 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.609 7.977 -0.218 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.094 7.132 1.969 1.00 0.00 H new ATOM 974 N GLN A 62 -7.679 10.865 1.212 1.00 0.00 N ATOM 975 CA GLN A 62 -8.868 11.700 0.969 1.00 0.00 C ATOM 976 C GLN A 62 -8.504 13.187 0.826 1.00 0.00 C ATOM 977 O GLN A 62 -9.075 13.880 -0.022 1.00 0.00 O ATOM 978 CB GLN A 62 -9.891 11.427 2.087 1.00 0.00 C ATOM 979 CG GLN A 62 -10.427 9.981 2.025 1.00 0.00 C ATOM 980 CD GLN A 62 -11.181 9.559 3.283 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.391 9.372 3.284 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.490 9.300 4.367 1.00 0.00 N ATOM 0 H GLN A 62 -7.618 10.514 2.168 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.322 11.433 0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.426 11.602 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.721 12.128 2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.088 9.883 1.164 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.592 9.299 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.481 9.452 4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.961 8.946 5.200 1.00 0.00 H new ATOM 991 N GLN A 63 -7.469 13.638 1.541 1.00 0.00 N ATOM 992 CA GLN A 63 -6.777 14.908 1.307 1.00 0.00 C ATOM 993 C GLN A 63 -6.058 14.942 -0.055 1.00 0.00 C ATOM 994 O GLN A 63 -6.086 15.965 -0.733 1.00 0.00 O ATOM 995 CB GLN A 63 -5.827 15.138 2.496 1.00 0.00 C ATOM 996 CG GLN A 63 -4.810 16.279 2.332 1.00 0.00 C ATOM 997 CD GLN A 63 -3.437 15.766 1.913 1.00 0.00 C ATOM 998 OE1 GLN A 63 -2.653 15.311 2.732 1.00 0.00 O ATOM 999 NE2 GLN A 63 -3.095 15.785 0.643 1.00 0.00 N ATOM 0 H GLN A 63 -7.078 13.113 2.323 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.496 15.725 1.250 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.428 15.338 3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.280 14.214 2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.175 16.986 1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.722 16.824 3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.739 16.162 -0.053 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.186 15.423 0.354 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.432 13.853 -0.508 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.779 13.789 -1.825 1.00 0.00 C ATOM 1010 C GLY A 64 -5.754 13.812 -3.004 1.00 0.00 C ATOM 1011 O GLY A 64 -5.433 14.377 -4.047 1.00 0.00 O ATOM 0 H GLY A 64 -5.362 12.987 0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.091 14.629 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.181 12.879 -1.879 1.00 0.00 H new ATOM 1015 N LEU A 65 -6.986 13.323 -2.822 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.069 13.517 -3.795 1.00 0.00 C ATOM 1017 C LEU A 65 -8.459 14.997 -3.969 1.00 0.00 C ATOM 1018 O LEU A 65 -8.931 15.368 -5.044 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.278 12.643 -3.423 1.00 0.00 C ATOM 1020 CG LEU A 65 -9.032 11.131 -3.577 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -10.273 10.367 -3.115 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.718 10.732 -5.022 1.00 0.00 C ATOM 0 H LEU A 65 -7.260 12.784 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.697 13.197 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.559 12.851 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.125 12.928 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.165 10.880 -2.965 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.102 9.296 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.475 10.599 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.129 10.661 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.553 9.656 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.556 11.002 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.821 11.253 -5.357 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.188 15.866 -2.984 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.316 17.335 -3.133 1.00 0.00 C ATOM 1036 C ARG A 66 -7.202 17.994 -3.974 1.00 0.00 C ATOM 1037 O ARG A 66 -7.242 19.207 -4.160 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.470 18.040 -1.765 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.600 17.475 -0.886 1.00 0.00 C ATOM 1040 CD ARG A 66 -9.816 18.357 0.351 1.00 0.00 C ATOM 1041 NE ARG A 66 -10.824 17.786 1.268 1.00 0.00 N ATOM 1042 CZ ARG A 66 -11.915 18.358 1.751 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -12.368 19.519 1.388 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -12.613 17.736 2.646 1.00 0.00 N ATOM 0 H ARG A 66 -7.873 15.576 -2.058 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.234 17.476 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.529 17.962 -1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.653 19.101 -1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.523 17.417 -1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.354 16.459 -0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.871 18.477 0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.134 19.351 0.037 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.657 16.825 1.568 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.873 20.061 0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.219 19.889 1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.320 16.815 2.972 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.456 18.167 3.026 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.228 17.237 -4.493 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.151 17.714 -5.388 1.00 0.00 C ATOM 1060 C TYR A 67 -5.251 17.134 -6.824 1.00 0.00 C ATOM 1061 O TYR A 67 -4.253 17.100 -7.547 1.00 0.00 O ATOM 1062 CB TYR A 67 -3.766 17.459 -4.746 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.374 18.339 -3.567 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -3.684 17.942 -2.250 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.621 19.516 -3.784 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.262 18.735 -1.157 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.186 20.300 -2.699 1.00 0.00 C ATOM 1068 CZ TYR A 67 -2.493 19.904 -1.382 1.00 0.00 C ATOM 1069 OH TYR A 67 -2.062 20.677 -0.351 1.00 0.00 O ATOM 0 H TYR A 67 -6.160 16.238 -4.298 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.279 18.790 -5.506 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.731 16.420 -4.418 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.008 17.574 -5.521 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.243 17.034 -2.076 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.377 19.816 -4.792 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.526 18.449 -0.150 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.619 21.202 -2.875 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.549 21.434 -0.702 1.00 0.00 H new ATOM 1079 N THR A 68 -6.424 16.649 -7.263 1.00 0.00 N ATOM 1080 CA THR A 68 -6.618 16.099 -8.622 1.00 0.00 C ATOM 1081 C THR A 68 -7.948 16.502 -9.276 1.00 0.00 C ATOM 1082 O THR A 68 -9.035 16.263 -8.746 1.00 0.00 O ATOM 1083 CB THR A 68 -6.443 14.567 -8.666 1.00 0.00 C ATOM 1084 OG1 THR A 68 -6.810 14.090 -9.939 1.00 0.00 O ATOM 1085 CG2 THR A 68 -7.245 13.812 -7.607 1.00 0.00 C ATOM 0 H THR A 68 -7.267 16.625 -6.689 1.00 0.00 H new ATOM 0 HA THR A 68 -5.826 16.557 -9.214 1.00 0.00 H new ATOM 0 HB THR A 68 -5.391 14.379 -8.452 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.095 13.522 -10.294 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.065 12.742 -7.708 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.936 14.140 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.307 14.015 -7.742 1.00 0.00 H new ATOM 1093 N SER A 69 -7.848 17.058 -10.487 1.00 0.00 N ATOM 1094 CA SER A 69 -8.954 17.288 -11.428 1.00 0.00 C ATOM 1095 C SER A 69 -8.503 17.199 -12.898 1.00 0.00 C ATOM 1096 O SER A 69 -9.242 16.683 -13.744 1.00 0.00 O ATOM 1097 CB SER A 69 -9.564 18.665 -11.139 1.00 0.00 C ATOM 1098 OG SER A 69 -10.730 18.869 -11.914 1.00 0.00 O ATOM 0 H SER A 69 -6.952 17.376 -10.858 1.00 0.00 H new ATOM 0 HA SER A 69 -9.697 16.503 -11.283 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.807 18.745 -10.079 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.835 19.445 -11.359 1.00 0.00 H new ATOM 0 HG SER A 69 -11.105 19.752 -11.714 1.00 0.00 H new ATOM 1104 N THR A 70 -7.285 17.658 -13.216 1.00 0.00 N ATOM 1105 CA THR A 70 -6.703 17.667 -14.575 1.00 0.00 C ATOM 1106 C THR A 70 -6.205 16.287 -15.042 1.00 0.00 C ATOM 1107 O THR A 70 -6.072 15.345 -14.254 1.00 0.00 O ATOM 1108 CB THR A 70 -5.550 18.684 -14.662 1.00 0.00 C ATOM 1109 OG1 THR A 70 -4.517 18.306 -13.794 1.00 0.00 O ATOM 1110 CG2 THR A 70 -5.960 20.109 -14.289 1.00 0.00 C ATOM 0 H THR A 70 -6.653 18.047 -12.516 1.00 0.00 H new ATOM 0 HA THR A 70 -7.514 17.956 -15.244 1.00 0.00 H new ATOM 0 HB THR A 70 -5.233 18.682 -15.705 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.785 18.955 -13.854 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.097 20.770 -14.373 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.745 20.450 -14.964 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.330 20.125 -13.264 1.00 0.00 H new ATOM 1118 N ALA A 71 -5.906 16.146 -16.337 1.00 0.00 N ATOM 1119 CA ALA A 71 -5.305 14.938 -16.915 1.00 0.00 C ATOM 1120 C ALA A 71 -3.859 14.685 -16.427 1.00 0.00 C ATOM 1121 O ALA A 71 -3.398 13.545 -16.424 1.00 0.00 O ATOM 1122 CB ALA A 71 -5.386 15.033 -18.445 1.00 0.00 C ATOM 0 H ALA A 71 -6.077 16.879 -17.025 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.872 14.073 -16.570 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.943 14.142 -18.889 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.430 15.110 -18.750 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.843 15.915 -18.784 1.00 0.00 H new ATOM 1128 N GLU A 72 -3.164 15.714 -15.930 1.00 0.00 N ATOM 1129 CA GLU A 72 -1.868 15.588 -15.243 1.00 0.00 C ATOM 1130 C GLU A 72 -1.942 14.694 -13.990 1.00 0.00 C ATOM 1131 O GLU A 72 -0.965 14.034 -13.629 1.00 0.00 O ATOM 1132 CB GLU A 72 -1.372 16.994 -14.857 1.00 0.00 C ATOM 1133 CG GLU A 72 0.092 17.046 -14.395 1.00 0.00 C ATOM 1134 CD GLU A 72 1.067 16.895 -15.565 1.00 0.00 C ATOM 1135 OE1 GLU A 72 1.510 17.937 -16.103 1.00 0.00 O ATOM 1136 OE2 GLU A 72 1.374 15.753 -15.988 1.00 0.00 O ATOM 0 H GLU A 72 -3.491 16.678 -15.994 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.171 15.107 -15.929 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.494 17.657 -15.714 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.006 17.383 -14.060 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.279 17.992 -13.887 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.272 16.253 -13.669 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.112 14.634 -13.348 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.322 14.032 -12.035 1.00 0.00 C ATOM 1146 C HIS A 73 -4.354 12.885 -12.073 1.00 0.00 C ATOM 1147 O HIS A 73 -4.872 12.478 -11.029 1.00 0.00 O ATOM 1148 CB HIS A 73 -3.699 15.128 -11.026 1.00 0.00 C ATOM 1149 CG HIS A 73 -2.790 16.337 -11.002 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.424 16.369 -10.821 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.193 17.634 -11.152 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -1.024 17.652 -10.857 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -2.074 18.470 -11.048 1.00 0.00 N ATOM 0 H HIS A 73 -3.969 15.019 -13.746 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.390 13.569 -11.711 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.713 15.463 -11.243 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.715 14.688 -10.029 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.208 17.961 -11.323 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.001 17.980 -10.748 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.059 19.488 -11.105 1.00 0.00 H new ATOM 1162 N VAL A 74 -4.682 12.361 -13.262 1.00 0.00 N ATOM 1163 CA VAL A 74 -5.672 11.282 -13.432 1.00 0.00 C ATOM 1164 C VAL A 74 -5.152 9.932 -12.926 1.00 0.00 C ATOM 1165 O VAL A 74 -5.890 9.206 -12.261 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.169 11.222 -14.891 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -5.131 10.680 -15.879 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -7.449 10.392 -15.014 1.00 0.00 C ATOM 0 H VAL A 74 -4.267 12.674 -14.140 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.533 11.517 -12.806 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.367 12.260 -15.158 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.555 10.669 -16.883 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.248 11.319 -15.866 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.850 9.666 -15.592 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.771 10.371 -16.055 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.257 9.375 -14.673 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.232 10.838 -14.401 1.00 0.00 H new ATOM 1178 N ALA A 75 -3.863 9.635 -13.119 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.246 8.443 -12.526 1.00 0.00 C ATOM 1180 C ALA A 75 -3.016 8.645 -11.019 1.00 0.00 C ATOM 1181 O ALA A 75 -3.271 7.738 -10.232 1.00 0.00 O ATOM 1182 CB ALA A 75 -1.961 8.078 -13.275 1.00 0.00 C ATOM 0 H ALA A 75 -3.227 10.202 -13.680 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.927 7.598 -12.630 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.516 7.192 -12.823 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.194 7.874 -14.320 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.257 8.908 -13.216 1.00 0.00 H new ATOM 1188 N ILE A 76 -2.659 9.863 -10.591 1.00 0.00 N ATOM 1189 CA ILE A 76 -2.634 10.274 -9.176 1.00 0.00 C ATOM 1190 C ILE A 76 -3.969 10.005 -8.463 1.00 0.00 C ATOM 1191 O ILE A 76 -3.975 9.533 -7.326 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.208 11.760 -9.085 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -0.672 11.917 -9.129 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -2.822 12.526 -7.900 1.00 0.00 C ATOM 1195 CD1 ILE A 76 0.102 11.402 -7.906 1.00 0.00 C ATOM 0 H ILE A 76 -2.374 10.606 -11.229 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.899 9.665 -8.649 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.626 12.230 -9.975 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.301 11.397 -10.012 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.440 12.974 -9.260 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.471 13.558 -7.912 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.909 12.512 -7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.522 12.052 -6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.169 11.567 -8.055 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.227 11.937 -7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.086 10.336 -7.779 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.108 10.244 -9.125 1.00 0.00 N ATOM 1208 CA ARG A 77 -6.452 10.027 -8.566 1.00 0.00 C ATOM 1209 C ARG A 77 -6.707 8.554 -8.221 1.00 0.00 C ATOM 1210 O ARG A 77 -7.302 8.267 -7.179 1.00 0.00 O ATOM 1211 CB ARG A 77 -7.459 10.647 -9.549 1.00 0.00 C ATOM 1212 CG ARG A 77 -8.901 10.768 -9.033 1.00 0.00 C ATOM 1213 CD ARG A 77 -9.705 11.824 -9.815 1.00 0.00 C ATOM 1214 NE ARG A 77 -9.890 11.469 -11.234 1.00 0.00 N ATOM 1215 CZ ARG A 77 -10.499 12.191 -12.158 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -10.989 13.380 -11.966 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -10.657 11.723 -13.355 1.00 0.00 N ATOM 0 H ARG A 77 -5.124 10.600 -10.081 1.00 0.00 H new ATOM 0 HA ARG A 77 -6.564 10.524 -7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.106 11.641 -9.824 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.467 10.048 -10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.398 9.801 -9.113 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.887 11.032 -7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -10.681 11.950 -9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.194 12.784 -9.750 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.508 10.572 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.917 13.819 -11.048 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.446 13.873 -12.733 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.311 10.793 -13.589 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.128 12.285 -14.064 1.00 0.00 H new ATOM 1231 N SER A 78 -6.153 7.627 -9.004 1.00 0.00 N ATOM 1232 CA SER A 78 -6.067 6.201 -8.659 1.00 0.00 C ATOM 1233 C SER A 78 -4.911 5.871 -7.698 1.00 0.00 C ATOM 1234 O SER A 78 -5.083 5.035 -6.814 1.00 0.00 O ATOM 1235 CB SER A 78 -5.967 5.373 -9.940 1.00 0.00 C ATOM 1236 OG SER A 78 -7.166 5.514 -10.682 1.00 0.00 O ATOM 0 H SER A 78 -5.743 7.847 -9.912 1.00 0.00 H new ATOM 0 HA SER A 78 -6.979 5.943 -8.120 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.116 5.704 -10.535 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.797 4.324 -9.697 1.00 0.00 H new ATOM 0 HG SER A 78 -7.105 4.986 -11.505 1.00 0.00 H new ATOM 1242 N LYS A 79 -3.767 6.565 -7.762 1.00 0.00 N ATOM 1243 CA LYS A 79 -2.612 6.396 -6.854 1.00 0.00 C ATOM 1244 C LYS A 79 -2.841 6.930 -5.428 1.00 0.00 C ATOM 1245 O LYS A 79 -2.003 6.698 -4.561 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.335 6.929 -7.535 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.024 6.490 -6.855 1.00 0.00 C ATOM 1248 CD LYS A 79 1.201 6.553 -7.783 1.00 0.00 C ATOM 1249 CE LYS A 79 1.431 7.939 -8.402 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.376 7.867 -9.540 1.00 0.00 N ATOM 0 H LYS A 79 -3.609 7.284 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.477 5.328 -6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.323 6.593 -8.572 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.374 8.018 -7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.155 7.124 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.139 5.470 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.088 6.264 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.079 5.823 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.480 8.351 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.821 8.618 -7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.512 8.818 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.290 7.496 -9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.990 7.237 -10.272 1.00 0.00 H new ATOM 1264 N LEU A 80 -3.995 7.542 -5.138 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.570 7.579 -3.784 1.00 0.00 C ATOM 1266 C LEU A 80 -5.635 6.481 -3.572 1.00 0.00 C ATOM 1267 O LEU A 80 -5.552 5.754 -2.584 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.048 9.004 -3.384 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.971 10.059 -3.041 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.839 9.517 -2.167 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.343 10.700 -4.280 1.00 0.00 C ATOM 0 H LEU A 80 -4.559 8.027 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.766 7.340 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.651 9.396 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.707 8.906 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.525 10.812 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.121 10.312 -1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.249 9.153 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.339 8.699 -2.685 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.595 11.431 -3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.868 9.929 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.117 11.197 -4.865 1.00 0.00 H new ATOM 1283 N GLN A 81 -6.602 6.284 -4.479 1.00 0.00 N ATOM 1284 CA GLN A 81 -7.738 5.367 -4.237 1.00 0.00 C ATOM 1285 C GLN A 81 -7.406 3.864 -4.215 1.00 0.00 C ATOM 1286 O GLN A 81 -8.005 3.138 -3.416 1.00 0.00 O ATOM 1287 CB GLN A 81 -8.884 5.675 -5.213 1.00 0.00 C ATOM 1288 CG GLN A 81 -9.686 6.863 -4.669 1.00 0.00 C ATOM 1289 CD GLN A 81 -10.653 7.455 -5.682 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -11.866 7.331 -5.567 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.154 8.152 -6.674 1.00 0.00 N ATOM 0 H GLN A 81 -6.625 6.745 -5.389 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.048 5.571 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.487 5.908 -6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.529 4.804 -5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.244 6.542 -3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.994 7.639 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.143 8.254 -6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.776 8.592 -7.352 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.423 3.382 -4.981 1.00 0.00 N ATOM 1301 CA TYR A 82 -5.987 1.982 -4.893 1.00 0.00 C ATOM 1302 C TYR A 82 -5.247 1.717 -3.572 1.00 0.00 C ATOM 1303 O TYR A 82 -5.434 0.672 -2.961 1.00 0.00 O ATOM 1304 CB TYR A 82 -5.146 1.569 -6.119 1.00 0.00 C ATOM 1305 CG TYR A 82 -3.660 1.416 -5.843 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.177 0.253 -5.208 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -2.775 2.460 -6.155 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -1.827 0.155 -4.828 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -1.420 2.367 -5.787 1.00 0.00 C ATOM 1310 CZ TYR A 82 -0.946 1.222 -5.110 1.00 0.00 C ATOM 1311 OH TYR A 82 0.352 1.170 -4.713 1.00 0.00 O ATOM 0 H TYR A 82 -5.914 3.938 -5.668 1.00 0.00 H new ATOM 0 HA TYR A 82 -6.879 1.355 -4.899 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.530 0.625 -6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.282 2.313 -6.904 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.850 -0.569 -5.012 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.134 3.334 -6.677 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.466 -0.730 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -0.741 3.173 -6.023 1.00 0.00 H new ATOM 0 HH TYR A 82 0.915 0.907 -5.470 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.432 2.666 -3.086 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.747 2.534 -1.787 1.00 0.00 C ATOM 1323 C ARG A 83 -4.628 2.869 -0.585 1.00 0.00 C ATOM 1324 O ARG A 83 -4.321 2.426 0.512 1.00 0.00 O ATOM 1325 CB ARG A 83 -2.333 3.107 -1.782 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.171 4.515 -2.349 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.679 4.855 -2.306 1.00 0.00 C ATOM 1328 NE ARG A 83 0.103 4.091 -3.304 1.00 0.00 N ATOM 1329 CZ ARG A 83 1.179 4.486 -3.958 1.00 0.00 C ATOM 1330 NH1 ARG A 83 1.722 5.655 -3.824 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.785 3.690 -4.780 1.00 0.00 N ATOM 0 H ARG A 83 -4.229 3.538 -3.575 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.569 1.468 -1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.968 3.108 -0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.689 2.434 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.547 4.563 -3.371 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.746 5.233 -1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.547 5.922 -2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.291 4.648 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.229 3.149 -3.510 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.317 6.335 -3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.555 5.895 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.432 2.745 -4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.616 4.008 -5.279 1.00 0.00 H new ATOM 1345 N LEU A 84 -5.790 3.480 -0.806 1.00 0.00 N ATOM 1346 CA LEU A 84 -6.928 3.456 0.117 1.00 0.00 C ATOM 1347 C LEU A 84 -7.584 2.061 0.156 1.00 0.00 C ATOM 1348 O LEU A 84 -7.833 1.531 1.239 1.00 0.00 O ATOM 1349 CB LEU A 84 -7.884 4.583 -0.312 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.147 4.815 0.533 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -8.850 4.960 2.021 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -9.810 6.106 0.049 1.00 0.00 C ATOM 0 H LEU A 84 -5.973 4.019 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.614 3.637 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.317 5.514 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.199 4.383 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.791 3.944 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.781 5.122 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.370 4.052 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.186 5.810 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.711 6.294 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.117 6.939 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.075 6.006 -1.004 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.796 1.413 -0.995 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.244 0.021 -1.106 1.00 0.00 C ATOM 1366 C GLU A 85 -7.256 -0.979 -0.466 1.00 0.00 C ATOM 1367 O GLU A 85 -7.678 -1.957 0.150 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.466 -0.314 -2.599 1.00 0.00 C ATOM 1369 CG GLU A 85 -9.532 -1.395 -2.763 1.00 0.00 C ATOM 1370 CD GLU A 85 -9.195 -2.422 -3.851 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -9.239 -2.102 -5.064 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -8.873 -3.580 -3.487 1.00 0.00 O ATOM 0 H GLU A 85 -7.656 1.857 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.178 -0.078 -0.552 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.768 0.585 -3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.529 -0.651 -3.043 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.663 -1.913 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.485 -0.922 -3.002 1.00 0.00 H new ATOM 1380 N LEU A 86 -5.945 -0.723 -0.565 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.883 -1.528 0.052 1.00 0.00 C ATOM 1382 C LEU A 86 -4.588 -1.152 1.510 1.00 0.00 C ATOM 1383 O LEU A 86 -4.156 -2.021 2.259 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.602 -1.488 -0.811 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.381 -2.694 -1.737 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -3.113 -3.985 -0.962 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -4.549 -2.921 -2.698 1.00 0.00 C ATOM 0 H LEU A 86 -5.584 0.072 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.256 -2.552 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.626 -0.585 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.742 -1.401 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.495 -2.443 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.964 -4.806 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.219 -3.863 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.965 -4.207 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.339 -3.785 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.460 -3.101 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.681 -2.039 -3.324 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.885 0.069 1.966 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.862 0.391 3.396 1.00 0.00 C ATOM 1401 C ALA A 87 -5.934 -0.435 4.132 1.00 0.00 C ATOM 1402 O ALA A 87 -5.631 -1.135 5.099 1.00 0.00 O ATOM 1403 CB ALA A 87 -5.116 1.895 3.603 1.00 0.00 C ATOM 0 H ALA A 87 -5.144 0.851 1.365 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.881 0.143 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.097 2.124 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.341 2.468 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.091 2.159 3.193 1.00 0.00 H new ATOM 1409 N GLN A 88 -7.163 -0.434 3.592 1.00 0.00 N ATOM 1410 CA GLN A 88 -8.262 -1.319 4.008 1.00 0.00 C ATOM 1411 C GLN A 88 -7.897 -2.814 3.843 1.00 0.00 C ATOM 1412 O GLN A 88 -8.413 -3.658 4.579 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.522 -0.986 3.184 1.00 0.00 C ATOM 1414 CG GLN A 88 -10.169 0.376 3.512 1.00 0.00 C ATOM 1415 CD GLN A 88 -11.168 0.795 2.432 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -12.382 0.651 2.540 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.684 1.285 1.314 1.00 0.00 N ATOM 0 H GLN A 88 -7.426 0.198 2.836 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.452 -1.149 5.068 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.262 -1.003 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.261 -1.771 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.676 0.317 4.475 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.393 1.136 3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.678 1.412 1.206 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.314 1.539 0.553 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.983 -3.124 2.915 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.375 -4.436 2.668 1.00 0.00 C ATOM 1428 C GLY A 89 -5.471 -4.913 3.799 1.00 0.00 C ATOM 1429 O GLY A 89 -5.707 -5.956 4.408 1.00 0.00 O ATOM 0 H GLY A 89 -6.625 -2.416 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.166 -5.170 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.796 -4.391 1.746 1.00 0.00 H new ATOM 1433 N ALA A 90 -4.443 -4.130 4.111 1.00 0.00 N ATOM 1434 CA ALA A 90 -3.420 -4.476 5.089 1.00 0.00 C ATOM 1435 C ALA A 90 -3.955 -4.451 6.536 1.00 0.00 C ATOM 1436 O ALA A 90 -3.542 -5.273 7.360 1.00 0.00 O ATOM 1437 CB ALA A 90 -2.244 -3.522 4.859 1.00 0.00 C ATOM 0 H ALA A 90 -4.296 -3.217 3.681 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.090 -5.506 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.450 -3.745 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.866 -3.648 3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.578 -2.493 4.997 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.925 -3.579 6.844 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.570 -3.509 8.174 1.00 0.00 C ATOM 1445 C VAL A 91 -6.720 -4.523 8.359 1.00 0.00 C ATOM 1446 O VAL A 91 -7.161 -4.757 9.486 1.00 0.00 O ATOM 1447 CB VAL A 91 -6.017 -2.060 8.466 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -7.366 -1.715 7.826 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -6.091 -1.761 9.968 1.00 0.00 C ATOM 0 H VAL A 91 -5.290 -2.897 6.179 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.822 -3.802 8.911 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.246 -1.435 8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.629 -0.685 8.065 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.296 -1.830 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.134 -2.385 8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.410 -0.730 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.807 -2.435 10.438 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.108 -1.906 10.417 1.00 0.00 H new