USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 670 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 65 CYS SG : rot 180:sc= 1.05 USER MOD Set 1.2: A 69 TYR OH : rot 104:sc= 0.102 USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= -0.104 (180deg=-0.545) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.568 USER MOD Single : A 11 ASN : amide:sc= -0.0247 K(o=-0.025,f=0.81) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0024) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.213) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= -0.613 (180deg=-0.621) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Single : A 42 MET CE :methyl -115:sc= -2.55! (180deg=-7.77!) USER MOD Single : A 44 GLN : amide:sc= -0.913 K(o=-0.91,f=-1.5) USER MOD Single : A 47 ASN : amide:sc= 1.65 K(o=1.7,f=-1.2!) USER MOD Single : A 50 ASN : amide:sc= -0.863 K(o=-0.86,f=-0.12) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.982 USER MOD Single : A 54 GLN : amide:sc= -3.4! C(o=-3.4!,f=-3.4!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0.0523 K(o=0.052,f=-1.2!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0.37) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0748) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.1) USER MOD Single : A 85 HIS : no HE2:sc= -0.0475 K(o=-0.047,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.195 7.487 -2.735 1.00 0.00 N ATOM 58 CA LYS A 2 15.987 8.463 -3.474 1.00 0.00 C ATOM 59 C LYS A 2 17.475 8.144 -3.377 1.00 0.00 C ATOM 60 O LYS A 2 17.871 7.190 -2.708 1.00 0.00 O ATOM 61 CB LYS A 2 15.721 9.873 -2.942 1.00 0.00 C ATOM 62 CG LYS A 2 14.308 10.365 -3.200 1.00 0.00 C ATOM 63 CD LYS A 2 14.146 10.875 -4.622 1.00 0.00 C ATOM 64 CE LYS A 2 13.448 9.852 -5.505 1.00 0.00 C ATOM 65 NZ LYS A 2 12.055 9.587 -5.053 1.00 0.00 N ATOM 0 HA LYS A 2 15.692 8.414 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.912 9.889 -1.869 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.427 10.565 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 2 13.601 9.555 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.065 11.162 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.573 11.802 -4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.125 11.110 -5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.434 10.210 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.015 8.921 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.479 9.282 -5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.061 8.838 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.650 10.455 -4.648 1.00 0.00 H new ATOM 79 N GLU A 3 18.294 8.948 -4.047 1.00 0.00 N ATOM 80 CA GLU A 3 19.738 8.750 -4.035 1.00 0.00 C ATOM 81 C GLU A 3 20.471 10.088 -4.022 1.00 0.00 C ATOM 82 O GLU A 3 20.001 11.071 -4.596 1.00 0.00 O ATOM 83 CB GLU A 3 20.173 7.929 -5.251 1.00 0.00 C ATOM 84 CG GLU A 3 19.984 8.653 -6.573 1.00 0.00 C ATOM 85 CD GLU A 3 19.799 7.701 -7.738 1.00 0.00 C ATOM 86 OE1 GLU A 3 20.266 6.547 -7.643 1.00 0.00 O ATOM 87 OE2 GLU A 3 19.186 8.111 -8.747 1.00 0.00 O ATOM 0 H GLU A 3 17.982 9.743 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 3 19.996 8.205 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.224 7.660 -5.140 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.606 6.998 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 3 19.116 9.309 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.849 9.289 -6.762 1.00 0.00 H new ATOM 94 N ILE A 4 21.624 10.118 -3.362 1.00 0.00 N ATOM 95 CA ILE A 4 22.422 11.335 -3.275 1.00 0.00 C ATOM 96 C ILE A 4 23.686 11.226 -4.122 1.00 0.00 C ATOM 97 O ILE A 4 24.352 10.190 -4.131 1.00 0.00 O ATOM 98 CB ILE A 4 22.819 11.644 -1.819 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.400 13.056 -1.715 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.819 10.615 -1.313 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.900 13.108 -1.908 1.00 0.00 C ATOM 0 H ILE A 4 22.026 9.314 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 4 21.802 12.147 -3.655 1.00 0.00 H new ATOM 0 HB ILE A 4 21.927 11.592 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.924 13.692 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.153 13.471 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.090 10.847 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.372 9.622 -1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.712 10.638 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.242 14.139 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.386 12.499 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 4 25.153 12.724 -2.896 1.00 0.00 H new ATOM 113 N ILE A 5 24.010 12.301 -4.831 1.00 0.00 N ATOM 114 CA ILE A 5 25.195 12.327 -5.679 1.00 0.00 C ATOM 115 C ILE A 5 25.982 13.620 -5.486 1.00 0.00 C ATOM 116 O ILE A 5 25.412 14.664 -5.165 1.00 0.00 O ATOM 117 CB ILE A 5 24.826 12.182 -7.168 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.719 11.141 -7.341 1.00 0.00 C ATOM 119 CG2 ILE A 5 26.053 11.801 -7.983 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.329 10.909 -8.784 1.00 0.00 C ATOM 0 H ILE A 5 23.469 13.166 -4.835 1.00 0.00 H new ATOM 0 HA ILE A 5 25.813 11.480 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 5 24.457 13.141 -7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 5 24.047 10.197 -6.905 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.840 11.461 -6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.776 11.702 -9.033 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.813 12.575 -7.879 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.450 10.852 -7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.539 10.159 -8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.970 11.842 -9.218 1.00 0.00 H new ATOM 0 HD13 ILE A 5 24.196 10.559 -9.343 1.00 0.00 H new ATOM 132 N LEU A 6 27.293 13.543 -5.685 1.00 0.00 N ATOM 133 CA LEU A 6 28.159 14.708 -5.535 1.00 0.00 C ATOM 134 C LEU A 6 28.975 14.947 -6.801 1.00 0.00 C ATOM 135 O LEU A 6 29.830 14.138 -7.163 1.00 0.00 O ATOM 136 CB LEU A 6 29.094 14.521 -4.339 1.00 0.00 C ATOM 137 CG LEU A 6 29.163 13.110 -3.754 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.486 12.893 -3.037 1.00 0.00 C ATOM 139 CD2 LEU A 6 27.995 12.867 -2.809 1.00 0.00 C ATOM 0 H LEU A 6 27.780 12.687 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 6 27.528 15.580 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 6 30.099 14.817 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.782 15.205 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 6 29.097 12.394 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.517 11.883 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.307 13.024 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.584 13.616 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.060 11.858 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 6 28.030 13.590 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.057 12.979 -3.353 1.00 0.00 H new ATOM 151 N TYR A 7 28.706 16.063 -7.469 1.00 0.00 N ATOM 152 CA TYR A 7 29.415 16.409 -8.695 1.00 0.00 C ATOM 153 C TYR A 7 30.582 17.347 -8.404 1.00 0.00 C ATOM 154 O TYR A 7 30.388 18.526 -8.103 1.00 0.00 O ATOM 155 CB TYR A 7 28.459 17.061 -9.695 1.00 0.00 C ATOM 156 CG TYR A 7 27.357 16.141 -10.168 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.603 15.165 -11.126 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.070 16.247 -9.656 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.598 14.323 -11.562 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.059 15.407 -10.085 1.00 0.00 C ATOM 161 CZ TYR A 7 25.328 14.447 -11.038 1.00 0.00 C ATOM 162 OH TYR A 7 24.326 13.609 -11.468 1.00 0.00 O ATOM 0 H TYR A 7 28.002 16.743 -7.182 1.00 0.00 H new ATOM 0 HA TYR A 7 29.811 15.490 -9.127 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.012 17.943 -9.236 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.029 17.405 -10.558 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.597 15.063 -11.537 1.00 0.00 H new ATOM 0 HD2 TYR A 7 25.855 16.998 -8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.806 13.572 -12.309 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.064 15.502 -9.676 1.00 0.00 H new ATOM 0 HH TYR A 7 23.493 13.827 -10.999 1.00 0.00 H new ATOM 172 N THR A 8 31.798 16.816 -8.496 1.00 0.00 N ATOM 173 CA THR A 8 32.997 17.604 -8.242 1.00 0.00 C ATOM 174 C THR A 8 34.256 16.762 -8.421 1.00 0.00 C ATOM 175 O THR A 8 34.181 15.580 -8.757 1.00 0.00 O ATOM 176 CB THR A 8 32.988 18.199 -6.821 1.00 0.00 C ATOM 177 OG1 THR A 8 31.990 17.551 -6.025 1.00 0.00 O ATOM 178 CG2 THR A 8 32.719 19.696 -6.863 1.00 0.00 C ATOM 0 H THR A 8 31.978 15.843 -8.745 1.00 0.00 H new ATOM 0 HA THR A 8 33.001 18.417 -8.968 1.00 0.00 H new ATOM 0 HB THR A 8 33.969 18.035 -6.376 1.00 0.00 H new ATOM 0 HG1 THR A 8 31.992 17.934 -5.123 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.717 20.094 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.497 20.189 -7.445 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.749 19.879 -7.326 1.00 0.00 H new ATOM 186 N ARG A 9 35.411 17.378 -8.192 1.00 0.00 N ATOM 187 CA ARG A 9 36.686 16.685 -8.329 1.00 0.00 C ATOM 188 C ARG A 9 37.062 15.978 -7.030 1.00 0.00 C ATOM 189 O ARG A 9 36.619 16.348 -5.942 1.00 0.00 O ATOM 190 CB ARG A 9 37.788 17.671 -8.722 1.00 0.00 C ATOM 191 CG ARG A 9 37.866 18.889 -7.817 1.00 0.00 C ATOM 192 CD ARG A 9 37.479 20.160 -8.557 1.00 0.00 C ATOM 193 NE ARG A 9 38.605 20.729 -9.293 1.00 0.00 N ATOM 194 CZ ARG A 9 38.636 21.982 -9.734 1.00 0.00 C ATOM 195 NH1 ARG A 9 37.609 22.791 -9.515 1.00 0.00 N ATOM 196 NH2 ARG A 9 39.696 22.427 -10.396 1.00 0.00 N ATOM 0 H ARG A 9 35.490 18.355 -7.911 1.00 0.00 H new ATOM 0 HA ARG A 9 36.581 15.936 -9.114 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.748 17.155 -8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.620 18.001 -9.747 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.206 18.750 -6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 9 38.879 18.989 -7.426 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.666 19.943 -9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 9 37.103 20.894 -7.844 1.00 0.00 H new ATOM 0 HE ARG A 9 39.411 20.132 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.792 22.452 -9.007 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.636 23.752 -9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 9 40.488 21.807 -10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 9 39.719 23.389 -10.734 1.00 0.00 H new ATOM 210 N PRO A 10 37.898 14.935 -7.144 1.00 0.00 N ATOM 211 CA PRO A 10 38.352 14.154 -5.989 1.00 0.00 C ATOM 212 C PRO A 10 39.301 14.942 -5.093 1.00 0.00 C ATOM 213 O PRO A 10 39.662 14.492 -4.007 1.00 0.00 O ATOM 214 CB PRO A 10 39.080 12.968 -6.627 1.00 0.00 C ATOM 215 CG PRO A 10 39.521 13.467 -7.960 1.00 0.00 C ATOM 216 CD PRO A 10 38.465 14.438 -8.409 1.00 0.00 C ATOM 0 HA PRO A 10 37.524 13.865 -5.341 1.00 0.00 H new ATOM 0 HB2 PRO A 10 39.930 12.653 -6.021 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.421 12.105 -6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.494 13.953 -7.892 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.623 12.646 -8.670 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.890 15.247 -9.004 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.708 13.952 -9.025 1.00 0.00 H new ATOM 224 N ASN A 11 39.702 16.122 -5.556 1.00 0.00 N ATOM 225 CA ASN A 11 40.610 16.973 -4.796 1.00 0.00 C ATOM 226 C ASN A 11 39.833 17.979 -3.952 1.00 0.00 C ATOM 227 O ASN A 11 40.079 19.184 -4.020 1.00 0.00 O ATOM 228 CB ASN A 11 41.562 17.710 -5.740 1.00 0.00 C ATOM 229 CG ASN A 11 42.839 18.147 -5.048 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.821 19.027 -4.187 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.955 17.532 -5.422 1.00 0.00 N ATOM 0 H ASN A 11 39.412 16.510 -6.454 1.00 0.00 H new ATOM 0 HA ASN A 11 41.191 16.337 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.811 17.061 -6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 11 41.057 18.584 -6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.845 17.783 -4.991 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.922 16.808 -6.140 1.00 0.00 H new ATOM 238 N CYS A 12 38.895 17.477 -3.156 1.00 0.00 N ATOM 239 CA CYS A 12 38.082 18.330 -2.298 1.00 0.00 C ATOM 240 C CYS A 12 38.188 17.894 -0.840 1.00 0.00 C ATOM 241 O CYS A 12 37.522 16.959 -0.395 1.00 0.00 O ATOM 242 CB CYS A 12 36.620 18.295 -2.747 1.00 0.00 C ATOM 243 SG CYS A 12 35.949 16.616 -2.965 1.00 0.00 S ATOM 0 H CYS A 12 38.679 16.482 -3.087 1.00 0.00 H new ATOM 0 HA CYS A 12 38.457 19.350 -2.382 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.013 18.825 -2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.527 18.837 -3.688 1.00 0.00 H new ATOM 248 N PRO A 13 39.046 18.587 -0.076 1.00 0.00 N ATOM 249 CA PRO A 13 39.259 18.290 1.344 1.00 0.00 C ATOM 250 C PRO A 13 38.051 18.653 2.200 1.00 0.00 C ATOM 251 O PRO A 13 38.007 18.346 3.392 1.00 0.00 O ATOM 252 CB PRO A 13 40.459 19.166 1.713 1.00 0.00 C ATOM 253 CG PRO A 13 40.421 20.291 0.737 1.00 0.00 C ATOM 254 CD PRO A 13 39.873 19.713 -0.539 1.00 0.00 C ATOM 0 HA PRO A 13 39.421 17.226 1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 13 40.384 19.529 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 13 41.393 18.609 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.790 21.102 1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 13 41.417 20.707 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.283 20.445 -1.091 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.670 19.380 -1.204 1.00 0.00 H new ATOM 262 N TYR A 14 37.071 19.307 1.586 1.00 0.00 N ATOM 263 CA TYR A 14 35.863 19.713 2.293 1.00 0.00 C ATOM 264 C TYR A 14 34.750 18.686 2.105 1.00 0.00 C ATOM 265 O TYR A 14 33.802 18.629 2.889 1.00 0.00 O ATOM 266 CB TYR A 14 35.395 21.084 1.800 1.00 0.00 C ATOM 267 CG TYR A 14 35.796 22.223 2.710 1.00 0.00 C ATOM 268 CD1 TYR A 14 35.212 22.376 3.962 1.00 0.00 C ATOM 269 CD2 TYR A 14 36.757 23.146 2.318 1.00 0.00 C ATOM 270 CE1 TYR A 14 35.574 23.416 4.796 1.00 0.00 C ATOM 271 CE2 TYR A 14 37.126 24.188 3.146 1.00 0.00 C ATOM 272 CZ TYR A 14 36.532 24.319 4.384 1.00 0.00 C ATOM 273 OH TYR A 14 36.896 25.356 5.212 1.00 0.00 O ATOM 0 H TYR A 14 37.090 19.567 0.600 1.00 0.00 H new ATOM 0 HA TYR A 14 36.099 19.777 3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.805 21.263 0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 14 34.310 21.074 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 14 34.463 21.670 4.288 1.00 0.00 H new ATOM 0 HD2 TYR A 14 37.224 23.047 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 14 35.110 23.522 5.765 1.00 0.00 H new ATOM 0 HE2 TYR A 14 37.876 24.896 2.826 1.00 0.00 H new ATOM 0 HH TYR A 14 37.583 25.900 4.773 1.00 0.00 H new ATOM 283 N CYS A 15 34.873 17.875 1.059 1.00 0.00 N ATOM 284 CA CYS A 15 33.880 16.849 0.766 1.00 0.00 C ATOM 285 C CYS A 15 33.664 15.940 1.972 1.00 0.00 C ATOM 286 O CYS A 15 32.599 15.343 2.131 1.00 0.00 O ATOM 287 CB CYS A 15 34.318 16.016 -0.441 1.00 0.00 C ATOM 288 SG CYS A 15 34.044 16.833 -2.046 1.00 0.00 S ATOM 0 H CYS A 15 35.651 17.909 0.400 1.00 0.00 H new ATOM 0 HA CYS A 15 32.938 17.346 0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 15 35.378 15.780 -0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.779 15.069 -0.431 1.00 0.00 H new ATOM 293 N LYS A 16 34.682 15.841 2.821 1.00 0.00 N ATOM 294 CA LYS A 16 34.604 15.007 4.015 1.00 0.00 C ATOM 295 C LYS A 16 33.333 15.303 4.803 1.00 0.00 C ATOM 296 O LYS A 16 32.720 14.399 5.373 1.00 0.00 O ATOM 297 CB LYS A 16 35.831 15.234 4.901 1.00 0.00 C ATOM 298 CG LYS A 16 37.149 15.142 4.151 1.00 0.00 C ATOM 299 CD LYS A 16 37.256 13.842 3.371 1.00 0.00 C ATOM 300 CE LYS A 16 37.170 12.632 4.289 1.00 0.00 C ATOM 301 NZ LYS A 16 38.060 11.528 3.837 1.00 0.00 N ATOM 0 H LYS A 16 35.571 16.328 2.704 1.00 0.00 H new ATOM 0 HA LYS A 16 34.579 13.964 3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.756 16.217 5.367 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.829 14.499 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.240 15.986 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.976 15.213 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 16 36.458 13.795 2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.200 13.820 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 16 37.442 12.926 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 16 36.140 12.276 4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 37.960 10.716 4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 37.796 11.242 2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 39.048 11.854 3.843 1.00 0.00 H new ATOM 315 N ARG A 17 32.941 16.572 4.831 1.00 0.00 N ATOM 316 CA ARG A 17 31.742 16.986 5.550 1.00 0.00 C ATOM 317 C ARG A 17 30.495 16.358 4.934 1.00 0.00 C ATOM 318 O ARG A 17 29.675 15.767 5.636 1.00 0.00 O ATOM 319 CB ARG A 17 31.616 18.511 5.540 1.00 0.00 C ATOM 320 CG ARG A 17 32.472 19.200 6.590 1.00 0.00 C ATOM 321 CD ARG A 17 31.660 19.558 7.824 1.00 0.00 C ATOM 322 NE ARG A 17 32.463 19.507 9.042 1.00 0.00 N ATOM 323 CZ ARG A 17 31.977 19.751 10.254 1.00 0.00 C ATOM 324 NH1 ARG A 17 30.697 20.060 10.409 1.00 0.00 N ATOM 325 NH2 ARG A 17 32.772 19.685 11.315 1.00 0.00 N ATOM 0 H ARG A 17 33.436 17.332 4.364 1.00 0.00 H new ATOM 0 HA ARG A 17 31.830 16.642 6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.895 18.884 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.572 18.782 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 17 33.298 18.547 6.873 1.00 0.00 H new ATOM 0 HG3 ARG A 17 32.911 20.104 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 17 31.244 20.558 7.706 1.00 0.00 H new ATOM 0 HD3 ARG A 17 30.818 18.871 7.916 1.00 0.00 H new ATOM 0 HE ARG A 17 33.452 19.271 8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 17 30.083 20.111 9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 17 30.327 20.247 11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 17 33.757 19.447 11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 17 32.398 19.873 12.245 1.00 0.00 H new ATOM 339 N ALA A 18 30.359 16.492 3.619 1.00 0.00 N ATOM 340 CA ALA A 18 29.214 15.937 2.909 1.00 0.00 C ATOM 341 C ALA A 18 29.118 14.429 3.116 1.00 0.00 C ATOM 342 O ALA A 18 28.087 13.918 3.553 1.00 0.00 O ATOM 343 CB ALA A 18 29.304 16.263 1.426 1.00 0.00 C ATOM 0 H ALA A 18 31.028 16.980 3.024 1.00 0.00 H new ATOM 0 HA ALA A 18 28.311 16.392 3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.442 15.842 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 18 29.316 17.345 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.219 15.836 1.014 1.00 0.00 H new ATOM 349 N ARG A 19 30.198 13.723 2.799 1.00 0.00 N ATOM 350 CA ARG A 19 30.234 12.273 2.948 1.00 0.00 C ATOM 351 C ARG A 19 30.016 11.871 4.404 1.00 0.00 C ATOM 352 O ARG A 19 29.462 10.810 4.689 1.00 0.00 O ATOM 353 CB ARG A 19 31.571 11.721 2.450 1.00 0.00 C ATOM 354 CG ARG A 19 32.729 11.978 3.401 1.00 0.00 C ATOM 355 CD ARG A 19 34.031 11.407 2.861 1.00 0.00 C ATOM 356 NE ARG A 19 34.566 10.356 3.722 1.00 0.00 N ATOM 357 CZ ARG A 19 35.508 9.501 3.339 1.00 0.00 C ATOM 358 NH1 ARG A 19 36.015 9.573 2.116 1.00 0.00 N ATOM 359 NH2 ARG A 19 35.943 8.572 4.180 1.00 0.00 N ATOM 0 H ARG A 19 31.060 14.131 2.437 1.00 0.00 H new ATOM 0 HA ARG A 19 29.428 11.851 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.474 10.647 2.291 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.801 12.167 1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.839 13.051 3.560 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.510 11.533 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.864 11.007 1.861 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.766 12.207 2.766 1.00 0.00 H new ATOM 0 HE ARG A 19 34.196 10.274 4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 19 35.682 10.286 1.467 1.00 0.00 H new ATOM 0 HH12 ARG A 19 36.738 8.916 1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 19 35.554 8.514 5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 19 36.666 7.916 3.885 1.00 0.00 H new ATOM 373 N ASP A 20 30.457 12.726 5.321 1.00 0.00 N ATOM 374 CA ASP A 20 30.310 12.461 6.747 1.00 0.00 C ATOM 375 C ASP A 20 28.840 12.476 7.154 1.00 0.00 C ATOM 376 O ASP A 20 28.362 11.561 7.827 1.00 0.00 O ATOM 377 CB ASP A 20 31.089 13.495 7.563 1.00 0.00 C ATOM 378 CG ASP A 20 30.795 13.401 9.047 1.00 0.00 C ATOM 379 OD1 ASP A 20 31.035 12.325 9.633 1.00 0.00 O ATOM 380 OD2 ASP A 20 30.325 14.405 9.622 1.00 0.00 O ATOM 0 H ASP A 20 30.919 13.608 5.102 1.00 0.00 H new ATOM 0 HA ASP A 20 30.714 11.470 6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.157 13.355 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.840 14.495 7.209 1.00 0.00 H new ATOM 385 N LEU A 21 28.129 13.519 6.743 1.00 0.00 N ATOM 386 CA LEU A 21 26.712 13.654 7.066 1.00 0.00 C ATOM 387 C LEU A 21 25.908 12.497 6.482 1.00 0.00 C ATOM 388 O LEU A 21 25.155 11.829 7.192 1.00 0.00 O ATOM 389 CB LEU A 21 26.173 14.984 6.535 1.00 0.00 C ATOM 390 CG LEU A 21 24.650 15.115 6.478 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.227 16.545 6.775 1.00 0.00 C ATOM 392 CD2 LEU A 21 24.128 14.674 5.118 1.00 0.00 C ATOM 0 H LEU A 21 28.509 14.284 6.186 1.00 0.00 H new ATOM 0 HA LEU A 21 26.608 13.633 8.151 1.00 0.00 H new ATOM 0 HB2 LEU A 21 26.564 15.787 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.569 15.139 5.531 1.00 0.00 H new ATOM 0 HG LEU A 21 24.219 14.464 7.239 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.140 16.620 6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 21 24.569 16.826 7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.668 17.215 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.043 14.774 5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.566 15.299 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 21 24.400 13.633 4.944 1.00 0.00 H new ATOM 404 N LEU A 22 26.074 12.263 5.185 1.00 0.00 N ATOM 405 CA LEU A 22 25.365 11.185 4.505 1.00 0.00 C ATOM 406 C LEU A 22 25.695 9.835 5.135 1.00 0.00 C ATOM 407 O LEU A 22 24.802 9.107 5.569 1.00 0.00 O ATOM 408 CB LEU A 22 25.726 11.168 3.019 1.00 0.00 C ATOM 409 CG LEU A 22 25.692 12.520 2.305 1.00 0.00 C ATOM 410 CD1 LEU A 22 26.745 12.571 1.208 1.00 0.00 C ATOM 411 CD2 LEU A 22 24.308 12.785 1.730 1.00 0.00 C ATOM 0 H LEU A 22 26.694 12.805 4.583 1.00 0.00 H new ATOM 0 HA LEU A 22 24.295 11.364 4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 22 26.727 10.749 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.041 10.492 2.507 1.00 0.00 H new ATOM 0 HG LEU A 22 25.917 13.299 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.706 13.540 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 22 27.733 12.427 1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 22 26.551 11.782 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 22 24.302 13.751 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 22 24.055 12.001 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.574 12.792 2.536 1.00 0.00 H new ATOM 423 N ASP A 23 26.981 9.509 5.183 1.00 0.00 N ATOM 424 CA ASP A 23 27.429 8.248 5.763 1.00 0.00 C ATOM 425 C ASP A 23 26.933 8.103 7.198 1.00 0.00 C ATOM 426 O ASP A 23 26.709 6.993 7.680 1.00 0.00 O ATOM 427 CB ASP A 23 28.956 8.159 5.727 1.00 0.00 C ATOM 428 CG ASP A 23 29.462 6.763 6.033 1.00 0.00 C ATOM 429 OD1 ASP A 23 28.929 5.798 5.448 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.390 6.637 6.859 1.00 0.00 O ATOM 0 H ASP A 23 27.732 10.100 4.827 1.00 0.00 H new ATOM 0 HA ASP A 23 27.011 7.435 5.169 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.312 8.464 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.375 8.860 6.448 1.00 0.00 H new ATOM 435 N LYS A 24 26.764 9.233 7.877 1.00 0.00 N ATOM 436 CA LYS A 24 26.294 9.233 9.257 1.00 0.00 C ATOM 437 C LYS A 24 24.828 8.817 9.333 1.00 0.00 C ATOM 438 O LYS A 24 24.430 8.070 10.226 1.00 0.00 O ATOM 439 CB LYS A 24 26.474 10.620 9.878 1.00 0.00 C ATOM 440 CG LYS A 24 25.998 10.709 11.318 1.00 0.00 C ATOM 441 CD LYS A 24 24.620 11.341 11.412 1.00 0.00 C ATOM 442 CE LYS A 24 24.709 12.847 11.600 1.00 0.00 C ATOM 443 NZ LYS A 24 23.363 13.470 11.734 1.00 0.00 N ATOM 0 H LYS A 24 26.946 10.161 7.494 1.00 0.00 H new ATOM 0 HA LYS A 24 26.888 8.510 9.817 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.528 10.894 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.930 11.350 9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.972 9.711 11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 24 26.708 11.295 11.901 1.00 0.00 H new ATOM 0 HD2 LYS A 24 24.054 11.119 10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 24 24.073 10.901 12.246 1.00 0.00 H new ATOM 0 HE2 LYS A 24 25.301 13.068 12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 24 25.231 13.289 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 23.453 14.394 12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 22.945 13.599 10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.750 12.852 12.303 1.00 0.00 H new ATOM 457 N LYS A 25 24.030 9.305 8.390 1.00 0.00 N ATOM 458 CA LYS A 25 22.609 8.982 8.347 1.00 0.00 C ATOM 459 C LYS A 25 22.393 7.530 7.934 1.00 0.00 C ATOM 460 O LYS A 25 21.435 6.888 8.363 1.00 0.00 O ATOM 461 CB LYS A 25 21.882 9.914 7.375 1.00 0.00 C ATOM 462 CG LYS A 25 21.944 11.378 7.775 1.00 0.00 C ATOM 463 CD LYS A 25 21.468 11.587 9.202 1.00 0.00 C ATOM 464 CE LYS A 25 20.034 11.113 9.387 1.00 0.00 C ATOM 465 NZ LYS A 25 19.354 11.824 10.505 1.00 0.00 N ATOM 0 H LYS A 25 24.344 9.926 7.644 1.00 0.00 H new ATOM 0 HA LYS A 25 22.200 9.121 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.315 9.799 6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 25 20.838 9.609 7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 25 22.967 11.740 7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.329 11.968 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 25 22.122 11.048 9.887 1.00 0.00 H new ATOM 0 HD3 LYS A 25 21.539 12.644 9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.477 11.272 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.028 10.041 9.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.365 11.509 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.841 11.611 11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.381 12.849 10.332 1.00 0.00 H new ATOM 479 N GLY A 26 23.291 7.018 7.097 1.00 0.00 N ATOM 480 CA GLY A 26 23.181 5.644 6.641 1.00 0.00 C ATOM 481 C GLY A 26 22.649 5.545 5.225 1.00 0.00 C ATOM 482 O GLY A 26 21.666 4.849 4.970 1.00 0.00 O ATOM 0 H GLY A 26 24.092 7.530 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.160 5.168 6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.523 5.093 7.313 1.00 0.00 H new ATOM 486 N VAL A 27 23.299 6.244 4.300 1.00 0.00 N ATOM 487 CA VAL A 27 22.886 6.232 2.902 1.00 0.00 C ATOM 488 C VAL A 27 24.074 5.982 1.980 1.00 0.00 C ATOM 489 O VAL A 27 25.229 6.073 2.398 1.00 0.00 O ATOM 490 CB VAL A 27 22.212 7.558 2.504 1.00 0.00 C ATOM 491 CG1 VAL A 27 20.745 7.553 2.906 1.00 0.00 C ATOM 492 CG2 VAL A 27 22.942 8.735 3.133 1.00 0.00 C ATOM 0 H VAL A 27 24.114 6.826 4.494 1.00 0.00 H new ATOM 0 HA VAL A 27 22.167 5.420 2.792 1.00 0.00 H new ATOM 0 HB VAL A 27 22.266 7.663 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.285 8.498 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.233 6.732 2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.664 7.426 3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.453 9.664 2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 27 22.920 8.638 4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.977 8.747 2.790 1.00 0.00 H new ATOM 502 N LYS A 28 23.784 5.666 0.722 1.00 0.00 N ATOM 503 CA LYS A 28 24.828 5.404 -0.262 1.00 0.00 C ATOM 504 C LYS A 28 24.965 6.572 -1.233 1.00 0.00 C ATOM 505 O LYS A 28 24.108 6.783 -2.091 1.00 0.00 O ATOM 506 CB LYS A 28 24.519 4.119 -1.033 1.00 0.00 C ATOM 507 CG LYS A 28 25.160 2.880 -0.433 1.00 0.00 C ATOM 508 CD LYS A 28 26.526 2.609 -1.041 1.00 0.00 C ATOM 509 CE LYS A 28 27.248 1.486 -0.312 1.00 0.00 C ATOM 510 NZ LYS A 28 26.973 0.159 -0.928 1.00 0.00 N ATOM 0 H LYS A 28 22.834 5.585 0.360 1.00 0.00 H new ATOM 0 HA LYS A 28 25.772 5.283 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.439 3.978 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.860 4.232 -2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.259 3.006 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.511 2.019 -0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.412 2.347 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 28 27.129 3.516 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 28 28.321 1.676 -0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 28 26.938 1.473 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 27.483 -0.580 -0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 25.952 -0.034 -0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 27.292 0.163 -1.918 1.00 0.00 H new ATOM 524 N TYR A 29 26.049 7.328 -1.093 1.00 0.00 N ATOM 525 CA TYR A 29 26.298 8.475 -1.958 1.00 0.00 C ATOM 526 C TYR A 29 27.197 8.090 -3.129 1.00 0.00 C ATOM 527 O TYR A 29 28.089 7.250 -2.994 1.00 0.00 O ATOM 528 CB TYR A 29 26.940 9.612 -1.160 1.00 0.00 C ATOM 529 CG TYR A 29 28.338 9.299 -0.679 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.440 9.513 -1.497 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.558 8.791 0.596 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.720 9.228 -1.062 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.834 8.504 1.040 1.00 0.00 C ATOM 534 CZ TYR A 29 30.912 8.724 0.208 1.00 0.00 C ATOM 535 OH TYR A 29 32.185 8.441 0.646 1.00 0.00 O ATOM 0 H TYR A 29 26.769 7.167 -0.389 1.00 0.00 H new ATOM 0 HA TYR A 29 25.341 8.813 -2.355 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.970 10.508 -1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.311 9.841 -0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.294 9.909 -2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.717 8.618 1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.565 9.399 -1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 29 29.987 8.109 2.034 1.00 0.00 H new ATOM 0 HH TYR A 29 32.146 8.095 1.562 1.00 0.00 H new ATOM 545 N THR A 30 26.957 8.710 -4.280 1.00 0.00 N ATOM 546 CA THR A 30 27.743 8.433 -5.475 1.00 0.00 C ATOM 547 C THR A 30 28.626 9.621 -5.841 1.00 0.00 C ATOM 548 O THR A 30 28.131 10.721 -6.090 1.00 0.00 O ATOM 549 CB THR A 30 26.840 8.091 -6.675 1.00 0.00 C ATOM 550 OG1 THR A 30 26.101 6.895 -6.407 1.00 0.00 O ATOM 551 CG2 THR A 30 27.665 7.910 -7.940 1.00 0.00 C ATOM 0 H THR A 30 26.224 9.408 -4.410 1.00 0.00 H new ATOM 0 HA THR A 30 28.372 7.573 -5.246 1.00 0.00 H new ATOM 0 HB THR A 30 26.148 8.919 -6.827 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.528 6.686 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 30 27.005 7.669 -8.773 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.203 8.832 -8.158 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.379 7.099 -7.796 1.00 0.00 H new ATOM 559 N ASP A 31 29.934 9.393 -5.871 1.00 0.00 N ATOM 560 CA ASP A 31 30.886 10.446 -6.208 1.00 0.00 C ATOM 561 C ASP A 31 31.069 10.549 -7.719 1.00 0.00 C ATOM 562 O ASP A 31 31.379 9.561 -8.385 1.00 0.00 O ATOM 563 CB ASP A 31 32.233 10.179 -5.535 1.00 0.00 C ATOM 564 CG ASP A 31 33.306 11.151 -5.983 1.00 0.00 C ATOM 565 OD1 ASP A 31 33.816 10.994 -7.112 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.636 12.070 -5.204 1.00 0.00 O ATOM 0 H ASP A 31 30.360 8.489 -5.666 1.00 0.00 H new ATOM 0 HA ASP A 31 30.488 11.393 -5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.115 10.246 -4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.552 9.161 -5.759 1.00 0.00 H new ATOM 571 N ILE A 32 30.875 11.750 -8.253 1.00 0.00 N ATOM 572 CA ILE A 32 31.019 11.981 -9.685 1.00 0.00 C ATOM 573 C ILE A 32 32.233 12.856 -9.981 1.00 0.00 C ATOM 574 O ILE A 32 32.299 14.009 -9.553 1.00 0.00 O ATOM 575 CB ILE A 32 29.763 12.648 -10.277 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.526 11.794 -9.996 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.935 12.866 -11.773 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.518 10.477 -10.740 1.00 0.00 C ATOM 0 H ILE A 32 30.618 12.578 -7.716 1.00 0.00 H new ATOM 0 HA ILE A 32 31.155 11.005 -10.150 1.00 0.00 H new ATOM 0 HB ILE A 32 29.626 13.619 -9.802 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.466 11.597 -8.926 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.635 12.360 -10.267 1.00 0.00 H new ATOM 0 HG21 ILE A 32 29.040 13.338 -12.177 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.796 13.510 -11.950 1.00 0.00 H new ATOM 0 HG23 ILE A 32 30.093 11.906 -12.265 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.612 9.925 -10.492 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.546 10.665 -11.813 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.390 9.891 -10.451 1.00 0.00 H new ATOM 590 N ASP A 33 33.190 12.301 -10.716 1.00 0.00 N ATOM 591 CA ASP A 33 34.401 13.032 -11.073 1.00 0.00 C ATOM 592 C ASP A 33 34.057 14.367 -11.726 1.00 0.00 C ATOM 593 O ASP A 33 33.088 14.470 -12.477 1.00 0.00 O ATOM 594 CB ASP A 33 35.267 12.196 -12.016 1.00 0.00 C ATOM 595 CG ASP A 33 34.462 11.565 -13.135 1.00 0.00 C ATOM 596 OD1 ASP A 33 33.776 12.310 -13.866 1.00 0.00 O ATOM 597 OD2 ASP A 33 34.519 10.326 -13.281 1.00 0.00 O ATOM 0 H ASP A 33 33.151 11.348 -11.076 1.00 0.00 H new ATOM 0 HA ASP A 33 34.960 13.229 -10.158 1.00 0.00 H new ATOM 0 HB2 ASP A 33 36.046 12.827 -12.444 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.768 11.413 -11.446 1.00 0.00 H new ATOM 602 N ALA A 34 34.859 15.386 -11.435 1.00 0.00 N ATOM 603 CA ALA A 34 34.640 16.714 -11.995 1.00 0.00 C ATOM 604 C ALA A 34 34.716 16.687 -13.517 1.00 0.00 C ATOM 605 O ALA A 34 34.247 17.607 -14.188 1.00 0.00 O ATOM 606 CB ALA A 34 35.655 17.698 -11.432 1.00 0.00 C ATOM 0 H ALA A 34 35.666 15.317 -10.815 1.00 0.00 H new ATOM 0 HA ALA A 34 33.639 17.040 -11.713 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.480 18.686 -11.859 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.551 17.747 -10.348 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.662 17.367 -11.685 1.00 0.00 H new ATOM 612 N SER A 35 35.309 15.627 -14.057 1.00 0.00 N ATOM 613 CA SER A 35 35.449 15.482 -15.502 1.00 0.00 C ATOM 614 C SER A 35 34.121 15.744 -16.205 1.00 0.00 C ATOM 615 O SER A 35 33.183 14.953 -16.102 1.00 0.00 O ATOM 616 CB SER A 35 35.956 14.081 -15.848 1.00 0.00 C ATOM 617 OG SER A 35 37.302 13.910 -15.440 1.00 0.00 O ATOM 0 H SER A 35 35.700 14.856 -13.516 1.00 0.00 H new ATOM 0 HA SER A 35 36.174 16.218 -15.848 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.328 13.334 -15.363 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.875 13.917 -16.922 1.00 0.00 H new ATOM 0 HG SER A 35 37.602 13.006 -15.671 1.00 0.00 H new ATOM 623 N THR A 36 34.048 16.861 -16.922 1.00 0.00 N ATOM 624 CA THR A 36 32.836 17.230 -17.643 1.00 0.00 C ATOM 625 C THR A 36 32.511 16.211 -18.729 1.00 0.00 C ATOM 626 O THR A 36 31.359 16.073 -19.139 1.00 0.00 O ATOM 627 CB THR A 36 32.966 18.624 -18.285 1.00 0.00 C ATOM 628 OG1 THR A 36 34.013 18.618 -19.262 1.00 0.00 O ATOM 629 CG2 THR A 36 33.256 19.680 -17.230 1.00 0.00 C ATOM 0 H THR A 36 34.815 17.526 -17.019 1.00 0.00 H new ATOM 0 HA THR A 36 32.027 17.249 -16.912 1.00 0.00 H new ATOM 0 HB THR A 36 32.020 18.867 -18.769 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.088 19.507 -19.667 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.344 20.656 -17.707 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.443 19.702 -16.504 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.190 19.439 -16.721 1.00 0.00 H new ATOM 637 N SER A 37 33.534 15.498 -19.191 1.00 0.00 N ATOM 638 CA SER A 37 33.357 14.494 -20.233 1.00 0.00 C ATOM 639 C SER A 37 32.204 13.555 -19.892 1.00 0.00 C ATOM 640 O SER A 37 31.518 13.048 -20.780 1.00 0.00 O ATOM 641 CB SER A 37 34.646 13.690 -20.420 1.00 0.00 C ATOM 642 OG SER A 37 34.971 12.967 -19.245 1.00 0.00 O ATOM 0 H SER A 37 34.494 15.597 -18.860 1.00 0.00 H new ATOM 0 HA SER A 37 33.120 15.010 -21.164 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.530 12.999 -21.255 1.00 0.00 H new ATOM 0 HB3 SER A 37 35.465 14.363 -20.675 1.00 0.00 H new ATOM 0 HG SER A 37 35.797 12.460 -19.391 1.00 0.00 H new ATOM 648 N LEU A 38 31.997 13.328 -18.600 1.00 0.00 N ATOM 649 CA LEU A 38 30.927 12.450 -18.139 1.00 0.00 C ATOM 650 C LEU A 38 30.023 13.169 -17.143 1.00 0.00 C ATOM 651 O LEU A 38 28.813 12.945 -17.113 1.00 0.00 O ATOM 652 CB LEU A 38 31.513 11.192 -17.497 1.00 0.00 C ATOM 653 CG LEU A 38 31.880 10.057 -18.454 1.00 0.00 C ATOM 654 CD1 LEU A 38 32.687 8.990 -17.733 1.00 0.00 C ATOM 655 CD2 LEU A 38 30.626 9.454 -19.071 1.00 0.00 C ATOM 0 H LEU A 38 32.556 13.740 -17.853 1.00 0.00 H new ATOM 0 HA LEU A 38 30.328 12.164 -19.004 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.407 11.475 -16.941 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.794 10.810 -16.772 1.00 0.00 H new ATOM 0 HG LEU A 38 32.494 10.468 -19.255 1.00 0.00 H new ATOM 0 HD11 LEU A 38 32.939 8.191 -18.430 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.603 9.430 -17.340 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.099 8.582 -16.911 1.00 0.00 H new ATOM 0 HD21 LEU A 38 30.906 8.648 -19.749 1.00 0.00 H new ATOM 0 HD22 LEU A 38 29.986 9.059 -18.282 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.087 10.223 -19.624 1.00 0.00 H new ATOM 667 N ARG A 39 30.619 14.036 -16.330 1.00 0.00 N ATOM 668 CA ARG A 39 29.867 14.789 -15.333 1.00 0.00 C ATOM 669 C ARG A 39 28.823 15.680 -15.999 1.00 0.00 C ATOM 670 O ARG A 39 27.729 15.873 -15.468 1.00 0.00 O ATOM 671 CB ARG A 39 30.814 15.641 -14.486 1.00 0.00 C ATOM 672 CG ARG A 39 30.141 16.294 -13.290 1.00 0.00 C ATOM 673 CD ARG A 39 30.157 17.811 -13.402 1.00 0.00 C ATOM 674 NE ARG A 39 31.475 18.367 -13.108 1.00 0.00 N ATOM 675 CZ ARG A 39 31.865 19.577 -13.494 1.00 0.00 C ATOM 676 NH1 ARG A 39 31.042 20.353 -14.186 1.00 0.00 N ATOM 677 NH2 ARG A 39 33.081 20.013 -13.188 1.00 0.00 N ATOM 0 H ARG A 39 31.620 14.234 -16.342 1.00 0.00 H new ATOM 0 HA ARG A 39 29.353 14.077 -14.687 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.635 15.016 -14.134 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.251 16.417 -15.114 1.00 0.00 H new ATOM 0 HG2 ARG A 39 29.111 15.944 -13.215 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.649 15.990 -12.375 1.00 0.00 H new ATOM 0 HD2 ARG A 39 29.856 18.104 -14.408 1.00 0.00 H new ATOM 0 HD3 ARG A 39 29.424 18.233 -12.715 1.00 0.00 H new ATOM 0 HE ARG A 39 32.132 17.795 -12.577 1.00 0.00 H new ATOM 0 HH11 ARG A 39 30.107 20.021 -14.423 1.00 0.00 H new ATOM 0 HH12 ARG A 39 31.344 21.282 -14.481 1.00 0.00 H new ATOM 0 HH21 ARG A 39 33.717 19.419 -12.656 1.00 0.00 H new ATOM 0 HH22 ARG A 39 33.379 20.942 -13.485 1.00 0.00 H new ATOM 691 N GLN A 40 29.168 16.220 -17.163 1.00 0.00 N ATOM 692 CA GLN A 40 28.261 17.092 -17.900 1.00 0.00 C ATOM 693 C GLN A 40 27.032 16.322 -18.373 1.00 0.00 C ATOM 694 O GLN A 40 25.911 16.827 -18.312 1.00 0.00 O ATOM 695 CB GLN A 40 28.979 17.716 -19.097 1.00 0.00 C ATOM 696 CG GLN A 40 28.148 18.756 -19.831 1.00 0.00 C ATOM 697 CD GLN A 40 28.772 20.137 -19.789 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.290 20.566 -18.758 1.00 0.00 O ATOM 699 NE2 GLN A 40 28.726 20.841 -20.914 1.00 0.00 N ATOM 0 H GLN A 40 30.069 16.069 -17.616 1.00 0.00 H new ATOM 0 HA GLN A 40 27.934 17.886 -17.229 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.904 18.179 -18.754 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.257 16.927 -19.795 1.00 0.00 H new ATOM 0 HG2 GLN A 40 28.023 18.449 -20.869 1.00 0.00 H new ATOM 0 HG3 GLN A 40 27.152 18.798 -19.389 1.00 0.00 H new ATOM 0 HE21 GLN A 40 28.287 20.446 -21.745 1.00 0.00 H new ATOM 0 HE22 GLN A 40 29.130 21.777 -20.947 1.00 0.00 H new ATOM 708 N GLU A 41 27.251 15.099 -18.845 1.00 0.00 N ATOM 709 CA GLU A 41 26.160 14.261 -19.330 1.00 0.00 C ATOM 710 C GLU A 41 25.290 13.778 -18.173 1.00 0.00 C ATOM 711 O GLU A 41 24.073 13.652 -18.309 1.00 0.00 O ATOM 712 CB GLU A 41 26.714 13.061 -20.102 1.00 0.00 C ATOM 713 CG GLU A 41 27.926 13.394 -20.956 1.00 0.00 C ATOM 714 CD GLU A 41 28.287 12.276 -21.915 1.00 0.00 C ATOM 715 OE1 GLU A 41 28.100 11.097 -21.551 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.758 12.583 -23.031 1.00 0.00 O ATOM 0 H GLU A 41 28.173 14.666 -18.902 1.00 0.00 H new ATOM 0 HA GLU A 41 25.544 14.861 -19.999 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.983 12.277 -19.394 1.00 0.00 H new ATOM 0 HB3 GLU A 41 25.929 12.657 -20.742 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.728 14.304 -21.522 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.777 13.601 -20.308 1.00 0.00 H new ATOM 723 N MET A 42 25.923 13.509 -17.036 1.00 0.00 N ATOM 724 CA MET A 42 25.207 13.040 -15.856 1.00 0.00 C ATOM 725 C MET A 42 24.421 14.177 -15.210 1.00 0.00 C ATOM 726 O MET A 42 23.228 14.043 -14.937 1.00 0.00 O ATOM 727 CB MET A 42 26.185 12.441 -14.844 1.00 0.00 C ATOM 728 CG MET A 42 25.539 11.455 -13.884 1.00 0.00 C ATOM 729 SD MET A 42 26.058 9.755 -14.182 1.00 0.00 S ATOM 730 CE MET A 42 27.834 9.908 -14.013 1.00 0.00 C ATOM 0 H MET A 42 26.930 13.608 -16.907 1.00 0.00 H new ATOM 0 HA MET A 42 24.504 12.269 -16.171 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.989 11.938 -15.382 1.00 0.00 H new ATOM 0 HB3 MET A 42 26.641 13.248 -14.271 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.790 11.733 -12.860 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.455 11.521 -13.976 1.00 0.00 H new ATOM 0 HE1 MET A 42 28.310 9.696 -14.970 1.00 0.00 H new ATOM 0 HE2 MET A 42 28.084 10.922 -13.700 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.191 9.199 -13.266 1.00 0.00 H new ATOM 740 N VAL A 43 25.097 15.295 -14.967 1.00 0.00 N ATOM 741 CA VAL A 43 24.461 16.455 -14.354 1.00 0.00 C ATOM 742 C VAL A 43 23.327 16.984 -15.225 1.00 0.00 C ATOM 743 O VAL A 43 22.294 17.420 -14.717 1.00 0.00 O ATOM 744 CB VAL A 43 25.477 17.587 -14.109 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.971 18.157 -15.430 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.860 18.677 -13.246 1.00 0.00 C ATOM 0 H VAL A 43 26.085 15.422 -15.185 1.00 0.00 H new ATOM 0 HA VAL A 43 24.057 16.126 -13.397 1.00 0.00 H new ATOM 0 HB VAL A 43 26.334 17.174 -13.577 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.688 18.955 -15.237 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.453 17.369 -16.009 1.00 0.00 H new ATOM 0 HG13 VAL A 43 25.127 18.556 -15.993 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.591 19.469 -13.082 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.986 19.089 -13.750 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.561 18.256 -12.286 1.00 0.00 H new ATOM 756 N GLN A 44 23.527 16.942 -16.538 1.00 0.00 N ATOM 757 CA GLN A 44 22.520 17.418 -17.479 1.00 0.00 C ATOM 758 C GLN A 44 21.379 16.415 -17.609 1.00 0.00 C ATOM 759 O GLN A 44 20.221 16.796 -17.779 1.00 0.00 O ATOM 760 CB GLN A 44 23.152 17.671 -18.849 1.00 0.00 C ATOM 761 CG GLN A 44 23.390 16.403 -19.653 1.00 0.00 C ATOM 762 CD GLN A 44 24.018 16.677 -21.005 1.00 0.00 C ATOM 763 OE1 GLN A 44 25.212 16.960 -21.101 1.00 0.00 O ATOM 764 NE2 GLN A 44 23.214 16.595 -22.059 1.00 0.00 N ATOM 0 H GLN A 44 24.376 16.584 -16.974 1.00 0.00 H new ATOM 0 HA GLN A 44 22.114 18.354 -17.096 1.00 0.00 H new ATOM 0 HB2 GLN A 44 22.506 18.338 -19.420 1.00 0.00 H new ATOM 0 HB3 GLN A 44 24.102 18.188 -18.712 1.00 0.00 H new ATOM 0 HG2 GLN A 44 24.037 15.734 -19.085 1.00 0.00 H new ATOM 0 HG3 GLN A 44 22.442 15.885 -19.796 1.00 0.00 H new ATOM 0 HE21 GLN A 44 22.230 16.357 -21.933 1.00 0.00 H new ATOM 0 HE22 GLN A 44 23.580 16.770 -22.995 1.00 0.00 H new ATOM 773 N ARG A 45 21.714 15.131 -17.528 1.00 0.00 N ATOM 774 CA ARG A 45 20.717 14.073 -17.639 1.00 0.00 C ATOM 775 C ARG A 45 19.968 13.893 -16.322 1.00 0.00 C ATOM 776 O ARG A 45 18.911 13.264 -16.279 1.00 0.00 O ATOM 777 CB ARG A 45 21.383 12.757 -18.044 1.00 0.00 C ATOM 778 CG ARG A 45 20.400 11.616 -18.251 1.00 0.00 C ATOM 779 CD ARG A 45 19.369 11.955 -19.315 1.00 0.00 C ATOM 780 NE ARG A 45 18.541 10.803 -19.663 1.00 0.00 N ATOM 781 CZ ARG A 45 17.379 10.898 -20.298 1.00 0.00 C ATOM 782 NH1 ARG A 45 16.908 12.086 -20.653 1.00 0.00 N ATOM 783 NH2 ARG A 45 16.684 9.804 -20.580 1.00 0.00 N ATOM 0 H ARG A 45 22.668 14.799 -17.386 1.00 0.00 H new ATOM 0 HA ARG A 45 20.000 14.361 -18.408 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.946 12.912 -18.965 1.00 0.00 H new ATOM 0 HB3 ARG A 45 22.102 12.472 -17.276 1.00 0.00 H new ATOM 0 HG2 ARG A 45 20.942 10.716 -18.542 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.895 11.395 -17.311 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.732 12.764 -18.958 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.876 12.319 -20.208 1.00 0.00 H new ATOM 0 HE ARG A 45 18.874 9.874 -19.404 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.439 12.930 -20.438 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.015 12.156 -21.141 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.042 8.888 -20.309 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.791 9.879 -21.068 1.00 0.00 H new ATOM 797 N ALA A 46 20.524 14.448 -15.250 1.00 0.00 N ATOM 798 CA ALA A 46 19.908 14.350 -13.933 1.00 0.00 C ATOM 799 C ALA A 46 19.170 15.636 -13.575 1.00 0.00 C ATOM 800 O ALA A 46 18.076 15.599 -13.013 1.00 0.00 O ATOM 801 CB ALA A 46 20.959 14.033 -12.880 1.00 0.00 C ATOM 0 H ALA A 46 21.400 14.970 -15.268 1.00 0.00 H new ATOM 0 HA ALA A 46 19.180 13.539 -13.960 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.484 13.963 -11.901 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.439 13.084 -13.119 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.708 14.825 -12.864 1.00 0.00 H new ATOM 807 N ASN A 47 19.776 16.772 -13.903 1.00 0.00 N ATOM 808 CA ASN A 47 19.177 18.070 -13.614 1.00 0.00 C ATOM 809 C ASN A 47 18.419 18.601 -14.827 1.00 0.00 C ATOM 810 O ASN A 47 17.343 19.182 -14.694 1.00 0.00 O ATOM 811 CB ASN A 47 20.255 19.071 -13.194 1.00 0.00 C ATOM 812 CG ASN A 47 20.478 20.151 -14.236 1.00 0.00 C ATOM 813 OD1 ASN A 47 19.666 21.063 -14.384 1.00 0.00 O ATOM 814 ND2 ASN A 47 21.585 20.050 -14.963 1.00 0.00 N ATOM 0 H ASN A 47 20.682 16.820 -14.369 1.00 0.00 H new ATOM 0 HA ASN A 47 18.471 17.942 -12.794 1.00 0.00 H new ATOM 0 HB2 ASN A 47 19.969 19.534 -12.250 1.00 0.00 H new ATOM 0 HB3 ASN A 47 21.191 18.541 -13.018 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.790 20.747 -15.679 1.00 0.00 H new ATOM 0 HD22 ASN A 47 22.230 19.276 -14.805 1.00 0.00 H new ATOM 821 N GLY A 48 18.989 18.395 -16.011 1.00 0.00 N ATOM 822 CA GLY A 48 18.353 18.858 -17.230 1.00 0.00 C ATOM 823 C GLY A 48 19.336 19.501 -18.189 1.00 0.00 C ATOM 824 O GLY A 48 19.706 18.905 -19.201 1.00 0.00 O ATOM 0 H GLY A 48 19.879 17.916 -16.147 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.866 18.017 -17.724 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.573 19.576 -16.979 1.00 0.00 H new ATOM 828 N ARG A 49 19.759 20.720 -17.871 1.00 0.00 N ATOM 829 CA ARG A 49 20.703 21.445 -18.713 1.00 0.00 C ATOM 830 C ARG A 49 22.086 21.487 -18.068 1.00 0.00 C ATOM 831 O ARG A 49 22.230 21.876 -16.910 1.00 0.00 O ATOM 832 CB ARG A 49 20.203 22.868 -18.967 1.00 0.00 C ATOM 833 CG ARG A 49 20.091 23.708 -17.706 1.00 0.00 C ATOM 834 CD ARG A 49 19.300 24.983 -17.954 1.00 0.00 C ATOM 835 NE ARG A 49 17.891 24.831 -17.602 1.00 0.00 N ATOM 836 CZ ARG A 49 16.967 25.752 -17.850 1.00 0.00 C ATOM 837 NH1 ARG A 49 17.302 26.886 -18.450 1.00 0.00 N ATOM 838 NH2 ARG A 49 15.706 25.540 -17.498 1.00 0.00 N ATOM 0 H ARG A 49 19.463 21.226 -17.036 1.00 0.00 H new ATOM 0 HA ARG A 49 20.781 20.919 -19.665 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.879 23.363 -19.664 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.227 22.820 -19.450 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.608 23.126 -16.921 1.00 0.00 H new ATOM 0 HG3 ARG A 49 21.088 23.961 -17.347 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.733 25.797 -17.372 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.383 25.262 -19.004 1.00 0.00 H new ATOM 0 HE ARG A 49 17.600 23.969 -17.140 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.271 27.052 -18.722 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.591 27.592 -18.640 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.445 24.669 -17.036 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.997 26.248 -17.689 1.00 0.00 H new ATOM 852 N ASN A 50 23.099 21.083 -18.827 1.00 0.00 N ATOM 853 CA ASN A 50 24.470 21.074 -18.330 1.00 0.00 C ATOM 854 C ASN A 50 24.828 22.415 -17.697 1.00 0.00 C ATOM 855 O ASN A 50 24.459 23.474 -18.207 1.00 0.00 O ATOM 856 CB ASN A 50 25.445 20.757 -19.466 1.00 0.00 C ATOM 857 CG ASN A 50 25.465 21.838 -20.529 1.00 0.00 C ATOM 858 OD1 ASN A 50 24.813 21.717 -21.566 1.00 0.00 O ATOM 859 ND2 ASN A 50 26.216 22.903 -20.275 1.00 0.00 N ATOM 0 H ASN A 50 22.997 20.758 -19.788 1.00 0.00 H new ATOM 0 HA ASN A 50 24.548 20.300 -17.567 1.00 0.00 H new ATOM 0 HB2 ASN A 50 26.448 20.635 -19.057 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.169 19.807 -19.923 1.00 0.00 H new ATOM 0 HD21 ASN A 50 26.269 23.663 -20.953 1.00 0.00 H new ATOM 0 HD22 ASN A 50 26.740 22.961 -19.402 1.00 0.00 H new ATOM 866 N THR A 51 25.551 22.363 -16.582 1.00 0.00 N ATOM 867 CA THR A 51 25.959 23.573 -15.879 1.00 0.00 C ATOM 868 C THR A 51 27.115 23.292 -14.926 1.00 0.00 C ATOM 869 O THR A 51 27.707 22.212 -14.954 1.00 0.00 O ATOM 870 CB THR A 51 24.789 24.182 -15.083 1.00 0.00 C ATOM 871 OG1 THR A 51 23.552 23.597 -15.506 1.00 0.00 O ATOM 872 CG2 THR A 51 24.733 25.690 -15.271 1.00 0.00 C ATOM 0 H THR A 51 25.866 21.496 -16.147 1.00 0.00 H new ATOM 0 HA THR A 51 26.282 24.285 -16.638 1.00 0.00 H new ATOM 0 HB THR A 51 24.948 23.970 -14.026 1.00 0.00 H new ATOM 0 HG1 THR A 51 22.813 23.988 -14.995 1.00 0.00 H new ATOM 0 HG21 THR A 51 23.899 26.097 -14.699 1.00 0.00 H new ATOM 0 HG22 THR A 51 25.664 26.135 -14.921 1.00 0.00 H new ATOM 0 HG23 THR A 51 24.595 25.920 -16.328 1.00 0.00 H new ATOM 880 N PHE A 52 27.432 24.268 -14.083 1.00 0.00 N ATOM 881 CA PHE A 52 28.518 24.125 -13.121 1.00 0.00 C ATOM 882 C PHE A 52 28.255 22.959 -12.173 1.00 0.00 C ATOM 883 O PHE A 52 27.126 22.491 -12.022 1.00 0.00 O ATOM 884 CB PHE A 52 28.693 25.418 -12.321 1.00 0.00 C ATOM 885 CG PHE A 52 29.614 26.408 -12.975 1.00 0.00 C ATOM 886 CD1 PHE A 52 29.242 27.055 -14.143 1.00 0.00 C ATOM 887 CD2 PHE A 52 30.853 26.691 -12.423 1.00 0.00 C ATOM 888 CE1 PHE A 52 30.088 27.965 -14.747 1.00 0.00 C ATOM 889 CE2 PHE A 52 31.703 27.601 -13.022 1.00 0.00 C ATOM 890 CZ PHE A 52 31.320 28.239 -14.185 1.00 0.00 C ATOM 0 H PHE A 52 26.952 25.167 -14.046 1.00 0.00 H new ATOM 0 HA PHE A 52 29.435 23.921 -13.674 1.00 0.00 H new ATOM 0 HB2 PHE A 52 27.717 25.882 -12.177 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.079 25.174 -11.331 1.00 0.00 H new ATOM 0 HD1 PHE A 52 28.280 26.845 -14.586 1.00 0.00 H new ATOM 0 HD2 PHE A 52 31.158 26.194 -11.514 1.00 0.00 H new ATOM 0 HE1 PHE A 52 29.787 28.462 -15.657 1.00 0.00 H new ATOM 0 HE2 PHE A 52 32.666 27.813 -12.581 1.00 0.00 H new ATOM 0 HZ PHE A 52 31.982 28.951 -14.655 1.00 0.00 H new ATOM 900 N PRO A 53 29.321 22.478 -11.517 1.00 0.00 N ATOM 901 CA PRO A 53 29.232 21.361 -10.572 1.00 0.00 C ATOM 902 C PRO A 53 28.495 21.741 -9.293 1.00 0.00 C ATOM 903 O PRO A 53 28.351 22.922 -8.977 1.00 0.00 O ATOM 904 CB PRO A 53 30.696 21.035 -10.269 1.00 0.00 C ATOM 905 CG PRO A 53 31.429 22.307 -10.524 1.00 0.00 C ATOM 906 CD PRO A 53 30.697 22.987 -11.648 1.00 0.00 C ATOM 0 HA PRO A 53 28.671 20.522 -10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 53 30.823 20.705 -9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 53 31.063 20.232 -10.908 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.445 22.934 -9.633 1.00 0.00 H new ATOM 0 HG3 PRO A 53 32.467 22.112 -10.795 1.00 0.00 H new ATOM 0 HD2 PRO A 53 30.735 24.072 -11.553 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.127 22.736 -12.618 1.00 0.00 H new ATOM 914 N GLN A 54 28.031 20.734 -8.560 1.00 0.00 N ATOM 915 CA GLN A 54 27.309 20.965 -7.315 1.00 0.00 C ATOM 916 C GLN A 54 26.921 19.644 -6.658 1.00 0.00 C ATOM 917 O GLN A 54 27.214 18.569 -7.182 1.00 0.00 O ATOM 918 CB GLN A 54 26.058 21.805 -7.575 1.00 0.00 C ATOM 919 CG GLN A 54 25.291 21.387 -8.819 1.00 0.00 C ATOM 920 CD GLN A 54 24.833 19.943 -8.764 1.00 0.00 C ATOM 921 OE1 GLN A 54 25.079 19.166 -9.687 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.162 19.575 -7.678 1.00 0.00 N ATOM 0 H GLN A 54 28.142 19.751 -8.807 1.00 0.00 H new ATOM 0 HA GLN A 54 27.968 21.508 -6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.398 21.735 -6.711 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.347 22.852 -7.671 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.423 22.035 -8.941 1.00 0.00 H new ATOM 0 HG3 GLN A 54 25.922 21.531 -9.696 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.980 20.252 -6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.829 18.616 -7.585 1.00 0.00 H new ATOM 931 N ILE A 55 26.262 19.732 -5.508 1.00 0.00 N ATOM 932 CA ILE A 55 25.834 18.544 -4.780 1.00 0.00 C ATOM 933 C ILE A 55 24.383 18.199 -5.096 1.00 0.00 C ATOM 934 O ILE A 55 23.471 18.972 -4.802 1.00 0.00 O ATOM 935 CB ILE A 55 25.986 18.731 -3.258 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.447 19.010 -2.900 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.480 17.501 -2.521 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.809 20.478 -2.938 1.00 0.00 C ATOM 0 H ILE A 55 26.013 20.614 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 55 26.478 17.726 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 55 25.386 19.588 -2.950 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.649 18.620 -1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 55 28.092 18.467 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.594 17.648 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.427 17.343 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 55 26.056 16.629 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.859 20.601 -2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.639 20.869 -3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.190 21.024 -2.226 1.00 0.00 H new ATOM 950 N PHE A 56 24.176 17.031 -5.695 1.00 0.00 N ATOM 951 CA PHE A 56 22.835 16.581 -6.051 1.00 0.00 C ATOM 952 C PHE A 56 22.256 15.682 -4.962 1.00 0.00 C ATOM 953 O PHE A 56 22.945 14.812 -4.429 1.00 0.00 O ATOM 954 CB PHE A 56 22.862 15.832 -7.385 1.00 0.00 C ATOM 955 CG PHE A 56 21.920 16.397 -8.409 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.613 15.945 -8.491 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.341 17.381 -9.290 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.743 16.463 -9.432 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.476 17.903 -10.232 1.00 0.00 C ATOM 960 CZ PHE A 56 20.175 17.442 -10.304 1.00 0.00 C ATOM 0 H PHE A 56 24.920 16.379 -5.944 1.00 0.00 H new ATOM 0 HA PHE A 56 22.198 17.460 -6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.876 15.854 -7.784 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.611 14.786 -7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.270 15.179 -7.812 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.357 17.744 -9.239 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.726 16.102 -9.485 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.816 18.671 -10.912 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.498 17.847 -11.041 1.00 0.00 H new ATOM 970 N ILE A 57 20.986 15.900 -4.637 1.00 0.00 N ATOM 971 CA ILE A 57 20.314 15.110 -3.613 1.00 0.00 C ATOM 972 C ILE A 57 18.876 14.800 -4.013 1.00 0.00 C ATOM 973 O ILE A 57 18.080 15.706 -4.261 1.00 0.00 O ATOM 974 CB ILE A 57 20.312 15.835 -2.254 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.883 17.294 -2.430 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.687 15.756 -1.609 1.00 0.00 C ATOM 977 CD1 ILE A 57 19.670 18.023 -1.122 1.00 0.00 C ATOM 0 H ILE A 57 20.402 16.617 -5.068 1.00 0.00 H new ATOM 0 HA ILE A 57 20.871 14.178 -3.518 1.00 0.00 H new ATOM 0 HB ILE A 57 19.596 15.342 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.641 17.820 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.960 17.326 -3.009 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.669 16.273 -0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.956 14.711 -1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.422 16.227 -2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.368 19.051 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.891 17.521 -0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.598 18.023 -0.550 1.00 0.00 H new ATOM 989 N GLY A 58 18.548 13.513 -4.073 1.00 0.00 N ATOM 990 CA GLY A 58 17.205 13.106 -4.442 1.00 0.00 C ATOM 991 C GLY A 58 16.707 13.811 -5.688 1.00 0.00 C ATOM 992 O GLY A 58 15.562 14.260 -5.740 1.00 0.00 O ATOM 0 H GLY A 58 19.189 12.745 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.188 12.029 -4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.526 13.313 -3.615 1.00 0.00 H new ATOM 996 N ASP A 59 17.570 13.911 -6.694 1.00 0.00 N ATOM 997 CA ASP A 59 17.212 14.567 -7.946 1.00 0.00 C ATOM 998 C ASP A 59 16.984 16.060 -7.731 1.00 0.00 C ATOM 999 O ASP A 59 16.164 16.678 -8.411 1.00 0.00 O ATOM 1000 CB ASP A 59 15.956 13.928 -8.541 1.00 0.00 C ATOM 1001 CG ASP A 59 15.972 12.415 -8.438 1.00 0.00 C ATOM 1002 OD1 ASP A 59 17.000 11.807 -8.804 1.00 0.00 O ATOM 1003 OD2 ASP A 59 14.957 11.840 -7.993 1.00 0.00 O ATOM 0 H ASP A 59 18.522 13.546 -6.666 1.00 0.00 H new ATOM 0 HA ASP A 59 18.040 14.440 -8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.076 14.315 -8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.866 14.217 -9.588 1.00 0.00 H new ATOM 1008 N TYR A 60 17.713 16.634 -6.780 1.00 0.00 N ATOM 1009 CA TYR A 60 17.588 18.053 -6.473 1.00 0.00 C ATOM 1010 C TYR A 60 18.954 18.672 -6.193 1.00 0.00 C ATOM 1011 O TYR A 60 19.565 18.414 -5.155 1.00 0.00 O ATOM 1012 CB TYR A 60 16.667 18.257 -5.269 1.00 0.00 C ATOM 1013 CG TYR A 60 16.740 19.647 -4.679 1.00 0.00 C ATOM 1014 CD1 TYR A 60 15.910 20.663 -5.138 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.640 19.946 -3.663 1.00 0.00 C ATOM 1016 CE1 TYR A 60 15.974 21.934 -4.603 1.00 0.00 C ATOM 1017 CE2 TYR A 60 17.709 21.214 -3.120 1.00 0.00 C ATOM 1018 CZ TYR A 60 16.875 22.205 -3.594 1.00 0.00 C ATOM 1019 OH TYR A 60 16.942 23.470 -3.057 1.00 0.00 O ATOM 0 H TYR A 60 18.397 16.138 -6.209 1.00 0.00 H new ATOM 0 HA TYR A 60 17.155 18.550 -7.341 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.639 18.053 -5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.924 17.530 -4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.203 20.454 -5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.297 19.173 -3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.322 22.712 -4.972 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.412 21.428 -2.329 1.00 0.00 H new ATOM 0 HH TYR A 60 17.627 23.492 -2.356 1.00 0.00 H new ATOM 1029 N HIS A 61 19.428 19.491 -7.126 1.00 0.00 N ATOM 1030 CA HIS A 61 20.722 20.149 -6.981 1.00 0.00 C ATOM 1031 C HIS A 61 20.716 21.103 -5.790 1.00 0.00 C ATOM 1032 O HIS A 61 19.716 21.769 -5.520 1.00 0.00 O ATOM 1033 CB HIS A 61 21.077 20.912 -8.258 1.00 0.00 C ATOM 1034 CG HIS A 61 19.967 21.781 -8.764 1.00 0.00 C ATOM 1035 ND1 HIS A 61 18.987 21.327 -9.622 1.00 0.00 N ATOM 1036 CD2 HIS A 61 19.684 23.083 -8.527 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.151 22.313 -9.892 1.00 0.00 C ATOM 1038 NE2 HIS A 61 18.551 23.390 -9.240 1.00 0.00 N ATOM 0 H HIS A 61 18.936 19.715 -7.991 1.00 0.00 H new ATOM 0 HA HIS A 61 21.474 19.380 -6.805 1.00 0.00 H new ATOM 0 HB2 HIS A 61 21.955 21.530 -8.070 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.351 20.197 -9.034 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.245 23.756 -7.895 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.287 22.250 -10.537 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.093 24.301 -9.262 1.00 0.00 H new ATOM 1046 N VAL A 62 21.838 21.164 -5.080 1.00 0.00 N ATOM 1047 CA VAL A 62 21.962 22.036 -3.918 1.00 0.00 C ATOM 1048 C VAL A 62 22.788 23.274 -4.246 1.00 0.00 C ATOM 1049 O VAL A 62 22.562 24.349 -3.691 1.00 0.00 O ATOM 1050 CB VAL A 62 22.610 21.300 -2.730 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.769 22.237 -1.543 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.788 20.078 -2.349 1.00 0.00 C ATOM 0 H VAL A 62 22.675 20.619 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 62 20.952 22.339 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 62 23.602 20.963 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.228 21.699 -0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.403 23.078 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 62 21.790 22.607 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.260 19.570 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.782 20.390 -2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.732 19.398 -3.199 1.00 0.00 H new ATOM 1062 N GLY A 63 23.746 23.117 -5.154 1.00 0.00 N ATOM 1063 CA GLY A 63 24.592 24.231 -5.541 1.00 0.00 C ATOM 1064 C GLY A 63 25.953 24.185 -4.875 1.00 0.00 C ATOM 1065 O GLY A 63 26.955 23.872 -5.516 1.00 0.00 O ATOM 0 H GLY A 63 23.952 22.238 -5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.720 24.227 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.096 25.167 -5.283 1.00 0.00 H new ATOM 1069 N GLY A 64 25.989 24.499 -3.584 1.00 0.00 N ATOM 1070 CA GLY A 64 27.242 24.488 -2.852 1.00 0.00 C ATOM 1071 C GLY A 64 27.217 23.535 -1.673 1.00 0.00 C ATOM 1072 O GLY A 64 26.161 23.287 -1.090 1.00 0.00 O ATOM 0 H GLY A 64 25.173 24.761 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.051 24.206 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.460 25.495 -2.497 1.00 0.00 H new ATOM 1076 N CYS A 65 28.381 22.999 -1.324 1.00 0.00 N ATOM 1077 CA CYS A 65 28.488 22.065 -0.208 1.00 0.00 C ATOM 1078 C CYS A 65 28.048 22.723 1.096 1.00 0.00 C ATOM 1079 O CYS A 65 27.453 22.077 1.959 1.00 0.00 O ATOM 1080 CB CYS A 65 29.924 21.557 -0.078 1.00 0.00 C ATOM 1081 SG CYS A 65 30.074 19.755 -0.088 1.00 0.00 S ATOM 0 H CYS A 65 29.263 23.195 -1.797 1.00 0.00 H new ATOM 0 HA CYS A 65 27.828 21.221 -0.408 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.518 21.965 -0.896 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.351 21.941 0.848 1.00 0.00 H new ATOM 0 HG CYS A 65 31.326 19.423 0.025 1.00 0.00 H new ATOM 1087 N ASP A 66 28.345 24.010 1.232 1.00 0.00 N ATOM 1088 CA ASP A 66 27.980 24.756 2.432 1.00 0.00 C ATOM 1089 C ASP A 66 26.467 24.925 2.527 1.00 0.00 C ATOM 1090 O ASP A 66 25.917 25.073 3.619 1.00 0.00 O ATOM 1091 CB ASP A 66 28.660 26.126 2.432 1.00 0.00 C ATOM 1092 CG ASP A 66 28.200 27.000 3.582 1.00 0.00 C ATOM 1093 OD1 ASP A 66 28.442 26.623 4.748 1.00 0.00 O ATOM 1094 OD2 ASP A 66 27.599 28.062 3.317 1.00 0.00 O ATOM 0 H ASP A 66 28.837 24.559 0.527 1.00 0.00 H new ATOM 0 HA ASP A 66 28.319 24.190 3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.740 25.992 2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.452 26.632 1.489 1.00 0.00 H new ATOM 1099 N ASP A 67 25.801 24.904 1.379 1.00 0.00 N ATOM 1100 CA ASP A 67 24.351 25.054 1.333 1.00 0.00 C ATOM 1101 C ASP A 67 23.658 23.828 1.920 1.00 0.00 C ATOM 1102 O ASP A 67 22.628 23.943 2.584 1.00 0.00 O ATOM 1103 CB ASP A 67 23.886 25.278 -0.107 1.00 0.00 C ATOM 1104 CG ASP A 67 23.451 26.708 -0.359 1.00 0.00 C ATOM 1105 OD1 ASP A 67 24.329 27.557 -0.620 1.00 0.00 O ATOM 1106 OD2 ASP A 67 22.234 26.979 -0.295 1.00 0.00 O ATOM 0 H ASP A 67 26.242 24.785 0.467 1.00 0.00 H new ATOM 0 HA ASP A 67 24.081 25.923 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.695 25.022 -0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.057 24.605 -0.327 1.00 0.00 H new ATOM 1111 N LEU A 68 24.230 22.656 1.669 1.00 0.00 N ATOM 1112 CA LEU A 68 23.667 21.407 2.172 1.00 0.00 C ATOM 1113 C LEU A 68 23.795 21.325 3.690 1.00 0.00 C ATOM 1114 O LEU A 68 22.920 20.784 4.368 1.00 0.00 O ATOM 1115 CB LEU A 68 24.368 20.212 1.524 1.00 0.00 C ATOM 1116 CG LEU A 68 25.577 19.654 2.277 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.137 18.620 3.301 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.579 19.051 1.303 1.00 0.00 C ATOM 0 H LEU A 68 25.083 22.544 1.121 1.00 0.00 H new ATOM 0 HA LEU A 68 22.608 21.383 1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.639 19.411 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.691 20.504 0.524 1.00 0.00 H new ATOM 0 HG LEU A 68 26.063 20.474 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 68 26.010 18.234 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.458 19.083 4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.627 17.801 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.433 18.659 1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 68 26.104 18.243 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.918 19.819 0.608 1.00 0.00 H new ATOM 1130 N TYR A 69 24.887 21.866 4.217 1.00 0.00 N ATOM 1131 CA TYR A 69 25.129 21.854 5.654 1.00 0.00 C ATOM 1132 C TYR A 69 24.207 22.836 6.370 1.00 0.00 C ATOM 1133 O TYR A 69 23.506 22.472 7.314 1.00 0.00 O ATOM 1134 CB TYR A 69 26.589 22.199 5.950 1.00 0.00 C ATOM 1135 CG TYR A 69 27.579 21.381 5.151 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.394 20.017 4.967 1.00 0.00 C ATOM 1137 CD2 TYR A 69 28.698 21.974 4.579 1.00 0.00 C ATOM 1138 CE1 TYR A 69 28.296 19.266 4.239 1.00 0.00 C ATOM 1139 CE2 TYR A 69 29.604 21.231 3.847 1.00 0.00 C ATOM 1140 CZ TYR A 69 29.399 19.877 3.680 1.00 0.00 C ATOM 1141 OH TYR A 69 30.299 19.133 2.952 1.00 0.00 O ATOM 0 H TYR A 69 25.619 22.319 3.670 1.00 0.00 H new ATOM 0 HA TYR A 69 24.918 20.850 6.024 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.753 23.256 5.742 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.781 22.049 7.013 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.530 19.535 5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 69 28.862 23.034 4.709 1.00 0.00 H new ATOM 0 HE1 TYR A 69 28.138 18.206 4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 69 30.468 21.708 3.408 1.00 0.00 H new ATOM 0 HH TYR A 69 30.163 19.299 1.996 1.00 0.00 H new ATOM 1151 N ALA A 70 24.214 24.084 5.914 1.00 0.00 N ATOM 1152 CA ALA A 70 23.378 25.120 6.508 1.00 0.00 C ATOM 1153 C ALA A 70 21.900 24.762 6.397 1.00 0.00 C ATOM 1154 O ALA A 70 21.121 25.004 7.320 1.00 0.00 O ATOM 1155 CB ALA A 70 23.650 26.462 5.845 1.00 0.00 C ATOM 0 H ALA A 70 24.790 24.402 5.135 1.00 0.00 H new ATOM 0 HA ALA A 70 23.629 25.193 7.566 1.00 0.00 H new ATOM 0 HB1 ALA A 70 23.019 27.226 6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.698 26.729 5.981 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.428 26.393 4.780 1.00 0.00 H new ATOM 1161 N LEU A 71 21.519 24.186 5.262 1.00 0.00 N ATOM 1162 CA LEU A 71 20.133 23.795 5.030 1.00 0.00 C ATOM 1163 C LEU A 71 19.715 22.680 5.983 1.00 0.00 C ATOM 1164 O LEU A 71 18.706 22.792 6.679 1.00 0.00 O ATOM 1165 CB LEU A 71 19.946 23.340 3.581 1.00 0.00 C ATOM 1166 CG LEU A 71 19.782 24.452 2.545 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.735 23.870 1.141 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.528 25.266 2.829 1.00 0.00 C ATOM 0 H LEU A 71 22.150 23.979 4.488 1.00 0.00 H new ATOM 0 HA LEU A 71 19.501 24.663 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.805 22.731 3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.069 22.695 3.534 1.00 0.00 H new ATOM 0 HG LEU A 71 20.644 25.115 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.618 24.676 0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.661 23.332 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.892 23.184 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.428 26.053 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.655 24.615 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.602 25.714 3.820 1.00 0.00 H new ATOM 1180 N GLU A 72 20.497 21.606 6.009 1.00 0.00 N ATOM 1181 CA GLU A 72 20.208 20.471 6.878 1.00 0.00 C ATOM 1182 C GLU A 72 20.087 20.917 8.332 1.00 0.00 C ATOM 1183 O GLU A 72 19.251 20.411 9.080 1.00 0.00 O ATOM 1184 CB GLU A 72 21.302 19.409 6.748 1.00 0.00 C ATOM 1185 CG GLU A 72 21.267 18.362 7.849 1.00 0.00 C ATOM 1186 CD GLU A 72 22.032 18.789 9.086 1.00 0.00 C ATOM 1187 OE1 GLU A 72 23.197 19.218 8.943 1.00 0.00 O ATOM 1188 OE2 GLU A 72 21.468 18.695 10.196 1.00 0.00 O ATOM 0 H GLU A 72 21.336 21.498 5.438 1.00 0.00 H new ATOM 0 HA GLU A 72 19.256 20.041 6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 72 21.202 18.913 5.783 1.00 0.00 H new ATOM 0 HB3 GLU A 72 22.275 19.899 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.231 18.159 8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.686 17.429 7.471 1.00 0.00 H new ATOM 1195 N ASN A 73 20.928 21.867 8.726 1.00 0.00 N ATOM 1196 CA ASN A 73 20.917 22.381 10.091 1.00 0.00 C ATOM 1197 C ASN A 73 19.831 23.439 10.264 1.00 0.00 C ATOM 1198 O ASN A 73 19.392 23.717 11.380 1.00 0.00 O ATOM 1199 CB ASN A 73 22.282 22.972 10.447 1.00 0.00 C ATOM 1200 CG ASN A 73 22.648 22.747 11.901 1.00 0.00 C ATOM 1201 OD1 ASN A 73 21.791 22.800 12.784 1.00 0.00 O ATOM 1202 ND2 ASN A 73 23.927 22.495 12.158 1.00 0.00 N ATOM 0 H ASN A 73 21.626 22.297 8.119 1.00 0.00 H new ATOM 0 HA ASN A 73 20.702 21.551 10.764 1.00 0.00 H new ATOM 0 HB2 ASN A 73 23.045 22.526 9.810 1.00 0.00 H new ATOM 0 HB3 ASN A 73 22.278 24.042 10.238 1.00 0.00 H new ATOM 0 HD21 ASN A 73 24.233 22.336 13.118 1.00 0.00 H new ATOM 0 HD22 ASN A 73 24.603 22.460 11.395 1.00 0.00 H new ATOM 1209 N LYS A 74 19.403 24.027 9.153 1.00 0.00 N ATOM 1210 CA LYS A 74 18.367 25.053 9.179 1.00 0.00 C ATOM 1211 C LYS A 74 16.982 24.426 9.297 1.00 0.00 C ATOM 1212 O LYS A 74 16.034 25.070 9.742 1.00 0.00 O ATOM 1213 CB LYS A 74 18.443 25.916 7.918 1.00 0.00 C ATOM 1214 CG LYS A 74 17.361 26.980 7.843 1.00 0.00 C ATOM 1215 CD LYS A 74 16.117 26.461 7.141 1.00 0.00 C ATOM 1216 CE LYS A 74 14.848 26.925 7.841 1.00 0.00 C ATOM 1217 NZ LYS A 74 13.836 27.432 6.874 1.00 0.00 N ATOM 0 H LYS A 74 19.758 23.811 8.222 1.00 0.00 H new ATOM 0 HA LYS A 74 18.536 25.682 10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 74 19.419 26.399 7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 74 18.369 25.272 7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.102 27.308 8.850 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.743 27.852 7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.111 26.806 6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 74 16.141 25.372 7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.424 26.098 8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.094 27.711 8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 12.986 27.738 7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.231 28.237 6.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.582 26.675 6.208 1.00 0.00 H new ATOM 1231 N GLY A 75 16.873 23.163 8.894 1.00 0.00 N ATOM 1232 CA GLY A 75 15.600 22.469 8.964 1.00 0.00 C ATOM 1233 C GLY A 75 15.292 21.696 7.697 1.00 0.00 C ATOM 1234 O GLY A 75 14.276 21.005 7.615 1.00 0.00 O ATOM 0 H GLY A 75 17.643 22.609 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.609 21.783 9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.805 23.192 9.148 1.00 0.00 H new ATOM 1238 N LYS A 76 16.168 21.813 6.706 1.00 0.00 N ATOM 1239 CA LYS A 76 15.985 21.120 5.436 1.00 0.00 C ATOM 1240 C LYS A 76 16.437 19.667 5.540 1.00 0.00 C ATOM 1241 O LYS A 76 16.400 18.923 4.558 1.00 0.00 O ATOM 1242 CB LYS A 76 16.766 21.830 4.327 1.00 0.00 C ATOM 1243 CG LYS A 76 15.897 22.693 3.429 1.00 0.00 C ATOM 1244 CD LYS A 76 15.145 23.746 4.226 1.00 0.00 C ATOM 1245 CE LYS A 76 14.521 24.794 3.316 1.00 0.00 C ATOM 1246 NZ LYS A 76 13.621 24.181 2.300 1.00 0.00 N ATOM 0 H LYS A 76 17.013 22.382 6.757 1.00 0.00 H new ATOM 0 HA LYS A 76 14.923 21.136 5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.538 22.453 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.275 21.084 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.519 23.179 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.186 22.063 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.366 23.267 4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.826 24.230 4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.957 25.508 3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.309 25.354 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.112 24.931 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.186 23.625 1.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.936 23.559 2.774 1.00 0.00 H new ATOM 1260 N LEU A 77 16.861 19.267 6.733 1.00 0.00 N ATOM 1261 CA LEU A 77 17.318 17.902 6.965 1.00 0.00 C ATOM 1262 C LEU A 77 16.303 16.891 6.441 1.00 0.00 C ATOM 1263 O LEU A 77 16.667 15.907 5.798 1.00 0.00 O ATOM 1264 CB LEU A 77 17.560 17.670 8.458 1.00 0.00 C ATOM 1265 CG LEU A 77 17.944 16.247 8.863 1.00 0.00 C ATOM 1266 CD1 LEU A 77 19.263 16.245 9.621 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.843 15.616 9.704 1.00 0.00 C ATOM 0 H LEU A 77 16.898 19.869 7.555 1.00 0.00 H new ATOM 0 HA LEU A 77 18.255 17.763 6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.350 18.345 8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.656 17.949 9.000 1.00 0.00 H new ATOM 0 HG LEU A 77 18.068 15.653 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.520 15.223 9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 77 20.048 16.656 8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 77 19.167 16.854 10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.134 14.603 9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.687 16.210 10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.919 15.582 9.127 1.00 0.00 H new ATOM 1279 N ASP A 78 15.028 17.143 6.717 1.00 0.00 N ATOM 1280 CA ASP A 78 13.959 16.257 6.270 1.00 0.00 C ATOM 1281 C ASP A 78 14.095 15.950 4.782 1.00 0.00 C ATOM 1282 O ASP A 78 14.054 14.790 4.372 1.00 0.00 O ATOM 1283 CB ASP A 78 12.594 16.888 6.551 1.00 0.00 C ATOM 1284 CG ASP A 78 12.196 16.781 8.009 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.547 17.692 8.789 1.00 0.00 O ATOM 1286 OD2 ASP A 78 11.533 15.787 8.371 1.00 0.00 O ATOM 0 H ASP A 78 14.709 17.953 7.248 1.00 0.00 H new ATOM 0 HA ASP A 78 14.039 15.322 6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.616 17.938 6.259 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.838 16.401 5.934 1.00 0.00 H new ATOM 1291 N SER A 79 14.256 16.996 3.979 1.00 0.00 N ATOM 1292 CA SER A 79 14.393 16.838 2.536 1.00 0.00 C ATOM 1293 C SER A 79 15.685 16.104 2.190 1.00 0.00 C ATOM 1294 O SER A 79 15.708 15.249 1.303 1.00 0.00 O ATOM 1295 CB SER A 79 14.370 18.204 1.847 1.00 0.00 C ATOM 1296 OG SER A 79 14.487 18.069 0.442 1.00 0.00 O ATOM 0 H SER A 79 14.295 17.962 4.303 1.00 0.00 H new ATOM 0 HA SER A 79 13.551 16.245 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.442 18.721 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.186 18.819 2.225 1.00 0.00 H new ATOM 0 HG SER A 79 14.468 18.956 0.025 1.00 0.00 H new ATOM 1302 N LEU A 80 16.758 16.443 2.896 1.00 0.00 N ATOM 1303 CA LEU A 80 18.055 15.816 2.665 1.00 0.00 C ATOM 1304 C LEU A 80 17.987 14.314 2.922 1.00 0.00 C ATOM 1305 O LEU A 80 18.503 13.515 2.139 1.00 0.00 O ATOM 1306 CB LEU A 80 19.117 16.451 3.563 1.00 0.00 C ATOM 1307 CG LEU A 80 19.889 17.627 2.962 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.884 17.136 1.921 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.930 18.637 2.350 1.00 0.00 C ATOM 0 H LEU A 80 16.756 17.148 3.633 1.00 0.00 H new ATOM 0 HA LEU A 80 18.328 15.975 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.634 16.790 4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.833 15.679 3.847 1.00 0.00 H new ATOM 0 HG LEU A 80 20.443 18.120 3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.424 17.986 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.591 16.451 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.351 16.619 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.496 19.467 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.349 18.156 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.257 19.013 3.121 1.00 0.00 H new ATOM 1321 N LEU A 81 17.347 13.936 4.022 1.00 0.00 N ATOM 1322 CA LEU A 81 17.209 12.529 4.382 1.00 0.00 C ATOM 1323 C LEU A 81 16.339 11.790 3.370 1.00 0.00 C ATOM 1324 O LEU A 81 16.658 10.674 2.961 1.00 0.00 O ATOM 1325 CB LEU A 81 16.607 12.396 5.782 1.00 0.00 C ATOM 1326 CG LEU A 81 17.378 13.079 6.912 1.00 0.00 C ATOM 1327 CD1 LEU A 81 17.132 12.368 8.233 1.00 0.00 C ATOM 1328 CD2 LEU A 81 18.866 13.118 6.594 1.00 0.00 C ATOM 0 H LEU A 81 16.915 14.584 4.681 1.00 0.00 H new ATOM 0 HA LEU A 81 18.202 12.080 4.376 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.596 12.803 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.519 11.336 6.019 1.00 0.00 H new ATOM 0 HG LEU A 81 17.019 14.104 7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 81 17.689 12.869 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.068 12.393 8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.463 11.332 8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 81 19.399 13.607 7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.239 12.101 6.475 1.00 0.00 H new ATOM 0 HD23 LEU A 81 19.026 13.674 5.670 1.00 0.00 H new ATOM 1340 N GLN A 82 15.241 12.423 2.969 1.00 0.00 N ATOM 1341 CA GLN A 82 14.326 11.826 2.003 1.00 0.00 C ATOM 1342 C GLN A 82 14.942 11.808 0.608 1.00 0.00 C ATOM 1343 O GLN A 82 14.528 11.033 -0.254 1.00 0.00 O ATOM 1344 CB GLN A 82 13.003 12.594 1.980 1.00 0.00 C ATOM 1345 CG GLN A 82 12.263 12.571 3.308 1.00 0.00 C ATOM 1346 CD GLN A 82 11.464 13.836 3.552 1.00 0.00 C ATOM 1347 OE1 GLN A 82 11.492 14.400 4.646 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.746 14.290 2.531 1.00 0.00 N ATOM 0 H GLN A 82 14.964 13.348 3.298 1.00 0.00 H new ATOM 0 HA GLN A 82 14.135 10.797 2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.198 13.629 1.700 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.360 12.171 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.592 11.712 3.331 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.981 12.437 4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 82 10.752 13.791 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.189 15.138 2.636 1.00 0.00 H new ATOM 1357 N ASP A 83 15.932 12.668 0.393 1.00 0.00 N ATOM 1358 CA ASP A 83 16.606 12.751 -0.897 1.00 0.00 C ATOM 1359 C ASP A 83 17.789 11.790 -0.955 1.00 0.00 C ATOM 1360 O ASP A 83 18.097 11.230 -2.007 1.00 0.00 O ATOM 1361 CB ASP A 83 17.081 14.181 -1.157 1.00 0.00 C ATOM 1362 CG ASP A 83 16.026 15.025 -1.846 1.00 0.00 C ATOM 1363 OD1 ASP A 83 14.867 14.570 -1.935 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.361 16.141 -2.295 1.00 0.00 O ATOM 0 H ASP A 83 16.285 13.317 1.096 1.00 0.00 H new ATOM 0 HA ASP A 83 15.893 12.467 -1.671 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.355 14.648 -0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.981 14.156 -1.772 1.00 0.00 H new ATOM 1369 N VAL A 84 18.451 11.605 0.183 1.00 0.00 N ATOM 1370 CA VAL A 84 19.601 10.712 0.262 1.00 0.00 C ATOM 1371 C VAL A 84 19.164 9.274 0.520 1.00 0.00 C ATOM 1372 O VAL A 84 19.907 8.330 0.251 1.00 0.00 O ATOM 1373 CB VAL A 84 20.574 11.148 1.373 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.080 12.560 1.117 1.00 0.00 C ATOM 1375 CG2 VAL A 84 19.905 11.052 2.736 1.00 0.00 C ATOM 0 H VAL A 84 18.211 12.062 1.063 1.00 0.00 H new ATOM 0 HA VAL A 84 20.111 10.767 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 84 21.430 10.474 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.766 12.850 1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.600 12.592 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.237 13.250 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.607 11.364 3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.029 11.701 2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.598 10.022 2.919 1.00 0.00 H new ATOM 1385 N HIS A 85 17.952 9.115 1.043 1.00 0.00 N ATOM 1386 CA HIS A 85 17.414 7.791 1.336 1.00 0.00 C ATOM 1387 C HIS A 85 16.482 7.324 0.222 1.00 0.00 C ATOM 1388 O HIS A 85 15.271 7.537 0.282 1.00 0.00 O ATOM 1389 CB HIS A 85 16.666 7.806 2.670 1.00 0.00 C ATOM 1390 CG HIS A 85 16.192 6.453 3.105 1.00 0.00 C ATOM 1391 ND1 HIS A 85 15.164 5.779 2.480 1.00 0.00 N ATOM 1392 CD2 HIS A 85 16.612 5.649 4.109 1.00 0.00 C ATOM 1393 CE1 HIS A 85 14.972 4.619 3.082 1.00 0.00 C ATOM 1394 NE2 HIS A 85 15.838 4.515 4.073 1.00 0.00 N ATOM 0 H HIS A 85 17.324 9.886 1.272 1.00 0.00 H new ATOM 0 HA HIS A 85 18.249 7.093 1.403 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.319 8.218 3.439 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.808 8.474 2.589 1.00 0.00 H new ATOM 0 HD1 HIS A 85 14.635 6.122 1.678 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.408 5.860 4.808 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.232 3.881 2.810 1.00 0.00 H new