USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 50 GLN : amide:sc= -2.73 K(o=-2,f=-4.7!) USER MOD Set 1.2: A 73 THR OG1 : rot 2:sc= 0.752! USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= -1.19 (180deg=-1.51) USER MOD Single : A 15 SER OG : rot -96:sc= 2.1 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00265 USER MOD Single : A 19 SER OG : rot 62:sc= -1.59 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.877 K(o=-0.88,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.6) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.11 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0749 USER MOD Single : A 49 ASN : amide:sc= -0.0813 K(o=-0.081,f=-1.1) USER MOD Single : A 51 HIS : no HE2:sc= -5.41! C(o=-5.4!,f=-6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.312 (180deg=-0.551) USER MOD Single : A 56 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.066) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -5.29! C(o=-5.3!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HE2:sc= -0.59 X(o=-0.59,f=-0.69) USER MOD Single : A 68 SER OG : rot 31:sc= 0.552 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N SER A 4 0.718 -8.340 0.863 1.00 0.00 N ATOM 48 CA SER A 4 0.226 -9.687 0.598 1.00 0.00 C ATOM 49 C SER A 4 -1.166 -9.645 -0.023 1.00 0.00 C ATOM 50 O SER A 4 -2.006 -8.834 0.364 1.00 0.00 O ATOM 51 CB SER A 4 0.196 -10.505 1.891 1.00 0.00 C ATOM 52 OG SER A 4 1.507 -10.832 2.318 1.00 0.00 O ATOM 0 HA SER A 4 0.905 -10.163 -0.109 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.313 -9.939 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.377 -11.419 1.734 1.00 0.00 H new ATOM 0 HG SER A 4 1.461 -11.353 3.147 1.00 0.00 H new ATOM 58 N ALA A 5 -1.403 -10.526 -0.990 1.00 0.00 N ATOM 59 CA ALA A 5 -2.693 -10.592 -1.664 1.00 0.00 C ATOM 60 C ALA A 5 -3.812 -10.915 -0.680 1.00 0.00 C ATOM 61 O ALA A 5 -4.973 -10.583 -0.915 1.00 0.00 O ATOM 62 CB ALA A 5 -2.654 -11.627 -2.779 1.00 0.00 C ATOM 0 H ALA A 5 -0.718 -11.204 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.898 -9.613 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.624 -11.666 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.888 -11.352 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.422 -12.606 -2.359 1.00 0.00 H new ATOM 68 N GLU A 6 -3.453 -11.566 0.423 1.00 0.00 N ATOM 69 CA GLU A 6 -4.429 -11.935 1.442 1.00 0.00 C ATOM 70 C GLU A 6 -4.979 -10.696 2.143 1.00 0.00 C ATOM 71 O GLU A 6 -6.087 -10.714 2.678 1.00 0.00 O ATOM 72 CB GLU A 6 -3.795 -12.875 2.470 1.00 0.00 C ATOM 73 CG GLU A 6 -2.761 -12.201 3.356 1.00 0.00 C ATOM 74 CD GLU A 6 -1.966 -13.192 4.183 1.00 0.00 C ATOM 75 OE1 GLU A 6 -2.563 -13.835 5.072 1.00 0.00 O ATOM 76 OE2 GLU A 6 -0.748 -13.326 3.942 1.00 0.00 O ATOM 0 H GLU A 6 -2.496 -11.848 0.633 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.254 -12.449 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.580 -13.295 3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -3.325 -13.708 1.947 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.078 -11.622 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.261 -11.497 4.021 1.00 0.00 H new ATOM 83 N GLU A 7 -4.196 -9.621 2.133 1.00 0.00 N ATOM 84 CA GLU A 7 -4.605 -8.374 2.769 1.00 0.00 C ATOM 85 C GLU A 7 -5.567 -7.597 1.874 1.00 0.00 C ATOM 86 O GLU A 7 -6.315 -6.739 2.345 1.00 0.00 O ATOM 87 CB GLU A 7 -3.381 -7.513 3.088 1.00 0.00 C ATOM 88 CG GLU A 7 -3.596 -6.556 4.248 1.00 0.00 C ATOM 89 CD GLU A 7 -3.210 -7.162 5.584 1.00 0.00 C ATOM 90 OE1 GLU A 7 -3.266 -8.403 5.711 1.00 0.00 O ATOM 91 OE2 GLU A 7 -2.853 -6.395 6.502 1.00 0.00 O ATOM 0 H GLU A 7 -3.277 -9.589 1.692 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.119 -8.621 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.538 -8.165 3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.109 -6.941 2.201 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.011 -5.651 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.644 -6.257 4.278 1.00 0.00 H new ATOM 98 N LEU A 8 -5.542 -7.904 0.582 1.00 0.00 N ATOM 99 CA LEU A 8 -6.411 -7.235 -0.380 1.00 0.00 C ATOM 100 C LEU A 8 -7.868 -7.298 0.067 1.00 0.00 C ATOM 101 O LEU A 8 -8.659 -6.406 -0.238 1.00 0.00 O ATOM 102 CB LEU A 8 -6.262 -7.874 -1.762 1.00 0.00 C ATOM 103 CG LEU A 8 -7.231 -7.382 -2.837 1.00 0.00 C ATOM 104 CD1 LEU A 8 -7.202 -5.864 -2.928 1.00 0.00 C ATOM 105 CD2 LEU A 8 -6.895 -8.005 -4.184 1.00 0.00 C ATOM 0 H LEU A 8 -4.930 -8.612 0.176 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.112 -6.188 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.244 -7.701 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.384 -8.952 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.239 -7.690 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.898 -5.532 -3.698 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.492 -5.436 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.195 -5.534 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.595 -7.643 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.880 -7.729 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.969 -9.090 -4.112 1.00 0.00 H new ATOM 117 N GLU A 9 -8.214 -8.356 0.793 1.00 0.00 N ATOM 118 CA GLU A 9 -9.576 -8.533 1.283 1.00 0.00 C ATOM 119 C GLU A 9 -9.859 -7.596 2.454 1.00 0.00 C ATOM 120 O GLU A 9 -10.980 -7.115 2.622 1.00 0.00 O ATOM 121 CB GLU A 9 -9.804 -9.984 1.711 1.00 0.00 C ATOM 122 CG GLU A 9 -9.046 -10.374 2.969 1.00 0.00 C ATOM 123 CD GLU A 9 -8.648 -11.837 2.981 1.00 0.00 C ATOM 124 OE1 GLU A 9 -8.365 -12.384 1.895 1.00 0.00 O ATOM 125 OE2 GLU A 9 -8.620 -12.434 4.078 1.00 0.00 O ATOM 0 H GLU A 9 -7.571 -9.103 1.055 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.261 -8.290 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.870 -10.142 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.505 -10.645 0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.151 -9.757 3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.664 -10.162 3.841 1.00 0.00 H new ATOM 132 N LYS A 10 -8.835 -7.342 3.261 1.00 0.00 N ATOM 133 CA LYS A 10 -8.971 -6.462 4.416 1.00 0.00 C ATOM 134 C LYS A 10 -9.623 -5.141 4.021 1.00 0.00 C ATOM 135 O LYS A 10 -10.330 -4.524 4.818 1.00 0.00 O ATOM 136 CB LYS A 10 -7.602 -6.199 5.047 1.00 0.00 C ATOM 137 CG LYS A 10 -6.901 -7.458 5.528 1.00 0.00 C ATOM 138 CD LYS A 10 -7.521 -7.986 6.811 1.00 0.00 C ATOM 139 CE LYS A 10 -7.016 -7.226 8.027 1.00 0.00 C ATOM 140 NZ LYS A 10 -7.664 -7.695 9.283 1.00 0.00 N ATOM 0 H LYS A 10 -7.901 -7.733 3.137 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.611 -6.958 5.145 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.966 -5.695 4.319 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.724 -5.517 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.956 -8.224 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.845 -7.247 5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.606 -7.903 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.288 -9.045 6.920 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.936 -7.348 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.208 -6.161 7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.293 -7.152 10.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.692 -7.556 9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.460 -8.705 9.423 1.00 0.00 H new ATOM 154 N ILE A 11 -9.381 -4.714 2.786 1.00 0.00 N ATOM 155 CA ILE A 11 -9.947 -3.468 2.285 1.00 0.00 C ATOM 156 C ILE A 11 -11.444 -3.608 2.026 1.00 0.00 C ATOM 157 O ILE A 11 -12.264 -3.009 2.721 1.00 0.00 O ATOM 158 CB ILE A 11 -9.253 -3.016 0.986 1.00 0.00 C ATOM 159 CG1 ILE A 11 -7.781 -2.696 1.254 1.00 0.00 C ATOM 160 CG2 ILE A 11 -9.966 -1.807 0.398 1.00 0.00 C ATOM 161 CD1 ILE A 11 -6.883 -3.912 1.222 1.00 0.00 C ATOM 0 H ILE A 11 -8.797 -5.212 2.114 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.783 -2.715 3.056 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.302 -3.829 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.433 -1.978 0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.694 -2.215 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.464 -1.499 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.001 -2.067 0.176 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.944 -0.987 1.116 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.855 -3.610 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.206 -4.623 1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.941 -4.381 0.240 1.00 0.00 H new ATOM 173 N LEU A 12 -11.792 -4.406 1.022 1.00 0.00 N ATOM 174 CA LEU A 12 -13.191 -4.628 0.672 1.00 0.00 C ATOM 175 C LEU A 12 -14.000 -5.043 1.896 1.00 0.00 C ATOM 176 O LEU A 12 -15.179 -4.711 2.016 1.00 0.00 O ATOM 177 CB LEU A 12 -13.301 -5.700 -0.414 1.00 0.00 C ATOM 178 CG LEU A 12 -13.094 -5.223 -1.852 1.00 0.00 C ATOM 179 CD1 LEU A 12 -13.147 -6.397 -2.817 1.00 0.00 C ATOM 180 CD2 LEU A 12 -14.137 -4.178 -2.222 1.00 0.00 C ATOM 0 H LEU A 12 -11.126 -4.910 0.437 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.598 -3.691 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.569 -6.480 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.287 -6.160 -0.343 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.108 -4.765 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.998 -6.038 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.363 -7.111 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -14.119 -6.885 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.975 -3.850 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.133 -4.611 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.051 -3.324 -1.550 1.00 0.00 H new ATOM 192 N LYS A 13 -13.358 -5.769 2.805 1.00 0.00 N ATOM 193 CA LYS A 13 -14.015 -6.227 4.023 1.00 0.00 C ATOM 194 C LYS A 13 -14.674 -5.064 4.756 1.00 0.00 C ATOM 195 O LYS A 13 -15.674 -5.241 5.451 1.00 0.00 O ATOM 196 CB LYS A 13 -13.006 -6.918 4.943 1.00 0.00 C ATOM 197 CG LYS A 13 -12.840 -8.401 4.660 1.00 0.00 C ATOM 198 CD LYS A 13 -12.823 -9.215 5.942 1.00 0.00 C ATOM 199 CE LYS A 13 -14.229 -9.433 6.483 1.00 0.00 C ATOM 200 NZ LYS A 13 -14.239 -10.368 7.642 1.00 0.00 N ATOM 0 H LYS A 13 -12.382 -6.053 2.721 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.789 -6.941 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.038 -6.427 4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.322 -6.787 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.654 -8.744 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.913 -8.566 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.350 -10.179 5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.219 -8.703 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.654 -8.476 6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.865 -9.829 5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.215 -10.490 7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.857 -11.289 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.653 -9.978 8.407 1.00 0.00 H new ATOM 214 N LYS A 14 -14.107 -3.872 4.596 1.00 0.00 N ATOM 215 CA LYS A 14 -14.641 -2.678 5.240 1.00 0.00 C ATOM 216 C LYS A 14 -16.090 -2.439 4.828 1.00 0.00 C ATOM 217 O LYS A 14 -16.877 -1.879 5.591 1.00 0.00 O ATOM 218 CB LYS A 14 -13.790 -1.457 4.882 1.00 0.00 C ATOM 219 CG LYS A 14 -12.370 -1.528 5.418 1.00 0.00 C ATOM 220 CD LYS A 14 -12.352 -1.723 6.925 1.00 0.00 C ATOM 221 CE LYS A 14 -13.100 -0.609 7.641 1.00 0.00 C ATOM 222 NZ LYS A 14 -12.600 0.737 7.246 1.00 0.00 N ATOM 0 H LYS A 14 -13.278 -3.708 4.026 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.609 -2.832 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.755 -1.354 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.273 -0.561 5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.839 -2.350 4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.837 -0.612 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.803 -2.684 7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.321 -1.754 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.164 -0.682 7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.994 -0.734 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.050 1.463 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.569 0.776 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.832 0.914 6.248 1.00 0.00 H new ATOM 236 N SER A 15 -16.435 -2.868 3.618 1.00 0.00 N ATOM 237 CA SER A 15 -17.789 -2.698 3.104 1.00 0.00 C ATOM 238 C SER A 15 -18.509 -4.040 3.016 1.00 0.00 C ATOM 239 O SER A 15 -19.625 -4.193 3.514 1.00 0.00 O ATOM 240 CB SER A 15 -17.755 -2.033 1.727 1.00 0.00 C ATOM 241 OG SER A 15 -18.890 -2.393 0.959 1.00 0.00 O ATOM 0 H SER A 15 -15.796 -3.336 2.976 1.00 0.00 H new ATOM 0 HA SER A 15 -18.336 -2.057 3.795 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.719 -0.950 1.844 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.847 -2.327 1.200 1.00 0.00 H new ATOM 0 HG SER A 15 -18.663 -3.145 0.373 1.00 0.00 H new ATOM 247 N PHE A 16 -17.862 -5.010 2.379 1.00 0.00 N ATOM 248 CA PHE A 16 -18.440 -6.340 2.223 1.00 0.00 C ATOM 249 C PHE A 16 -17.653 -7.372 3.025 1.00 0.00 C ATOM 250 O PHE A 16 -16.862 -8.145 2.484 1.00 0.00 O ATOM 251 CB PHE A 16 -18.467 -6.738 0.746 1.00 0.00 C ATOM 252 CG PHE A 16 -18.942 -5.640 -0.162 1.00 0.00 C ATOM 253 CD1 PHE A 16 -20.296 -5.440 -0.379 1.00 0.00 C ATOM 254 CD2 PHE A 16 -18.035 -4.808 -0.798 1.00 0.00 C ATOM 255 CE1 PHE A 16 -20.736 -4.431 -1.215 1.00 0.00 C ATOM 256 CE2 PHE A 16 -18.469 -3.797 -1.634 1.00 0.00 C ATOM 257 CZ PHE A 16 -19.821 -3.608 -1.843 1.00 0.00 C ATOM 0 H PHE A 16 -16.937 -4.900 1.962 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.461 -6.312 2.603 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -17.466 -7.043 0.442 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -19.115 -7.606 0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -21.015 -6.080 0.111 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -16.976 -4.951 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.794 -4.286 -1.377 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -17.752 -3.155 -2.124 1.00 0.00 H new ATOM 0 HZ PHE A 16 -20.162 -2.818 -2.496 1.00 0.00 H new ATOM 267 N PRO A 17 -17.873 -7.386 4.348 1.00 0.00 N ATOM 268 CA PRO A 17 -17.194 -8.317 5.254 1.00 0.00 C ATOM 269 C PRO A 17 -17.662 -9.756 5.063 1.00 0.00 C ATOM 270 O PRO A 17 -16.848 -10.668 4.917 1.00 0.00 O ATOM 271 CB PRO A 17 -17.585 -7.808 6.644 1.00 0.00 C ATOM 272 CG PRO A 17 -18.877 -7.096 6.437 1.00 0.00 C ATOM 273 CD PRO A 17 -18.802 -6.493 5.062 1.00 0.00 C ATOM 0 HA PRO A 17 -16.118 -8.342 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -17.695 -8.631 7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -16.825 -7.140 7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -19.719 -7.784 6.516 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -19.023 -6.325 7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.780 -6.464 4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -18.431 -5.468 5.092 1.00 0.00 H new ATOM 281 N SER A 18 -18.976 -9.951 5.064 1.00 0.00 N ATOM 282 CA SER A 18 -19.552 -11.280 4.894 1.00 0.00 C ATOM 283 C SER A 18 -19.249 -11.829 3.503 1.00 0.00 C ATOM 284 O SER A 18 -19.255 -13.041 3.287 1.00 0.00 O ATOM 285 CB SER A 18 -21.064 -11.237 5.120 1.00 0.00 C ATOM 286 OG SER A 18 -21.396 -10.363 6.185 1.00 0.00 O ATOM 0 H SER A 18 -19.662 -9.206 5.181 1.00 0.00 H new ATOM 0 HA SER A 18 -19.101 -11.942 5.633 1.00 0.00 H new ATOM 0 HB2 SER A 18 -21.562 -10.909 4.208 1.00 0.00 H new ATOM 0 HB3 SER A 18 -21.431 -12.240 5.340 1.00 0.00 H new ATOM 0 HG SER A 18 -22.368 -10.352 6.308 1.00 0.00 H new ATOM 292 N SER A 19 -18.986 -10.928 2.563 1.00 0.00 N ATOM 293 CA SER A 19 -18.684 -11.320 1.191 1.00 0.00 C ATOM 294 C SER A 19 -17.436 -12.195 1.138 1.00 0.00 C ATOM 295 O SER A 19 -16.722 -12.339 2.130 1.00 0.00 O ATOM 296 CB SER A 19 -18.491 -10.081 0.315 1.00 0.00 C ATOM 297 OG SER A 19 -19.726 -9.632 -0.215 1.00 0.00 O ATOM 0 H SER A 19 -18.976 -9.921 2.726 1.00 0.00 H new ATOM 0 HA SER A 19 -19.527 -11.897 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.033 -9.285 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 19 -17.805 -10.312 -0.500 1.00 0.00 H new ATOM 0 HG SER A 19 -20.323 -9.375 0.519 1.00 0.00 H new ATOM 303 N VAL A 20 -17.178 -12.777 -0.029 1.00 0.00 N ATOM 304 CA VAL A 20 -16.015 -13.637 -0.214 1.00 0.00 C ATOM 305 C VAL A 20 -14.994 -12.989 -1.142 1.00 0.00 C ATOM 306 O VAL A 20 -15.103 -13.086 -2.365 1.00 0.00 O ATOM 307 CB VAL A 20 -16.417 -15.009 -0.788 1.00 0.00 C ATOM 308 CG1 VAL A 20 -15.189 -15.881 -0.997 1.00 0.00 C ATOM 309 CG2 VAL A 20 -17.420 -15.696 0.126 1.00 0.00 C ATOM 0 H VAL A 20 -17.759 -12.669 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.568 -13.780 0.770 1.00 0.00 H new ATOM 0 HB VAL A 20 -16.891 -14.853 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.493 -16.846 -1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.510 -15.391 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.683 -16.032 -0.043 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -17.693 -16.664 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -16.975 -15.841 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -18.312 -15.076 0.219 1.00 0.00 H new ATOM 319 N ILE A 21 -14.003 -12.330 -0.554 1.00 0.00 N ATOM 320 CA ILE A 21 -12.961 -11.667 -1.328 1.00 0.00 C ATOM 321 C ILE A 21 -11.854 -12.644 -1.710 1.00 0.00 C ATOM 322 O ILE A 21 -11.302 -13.338 -0.857 1.00 0.00 O ATOM 323 CB ILE A 21 -12.345 -10.489 -0.551 1.00 0.00 C ATOM 324 CG1 ILE A 21 -13.423 -9.463 -0.196 1.00 0.00 C ATOM 325 CG2 ILE A 21 -11.235 -9.839 -1.365 1.00 0.00 C ATOM 326 CD1 ILE A 21 -13.288 -8.903 1.202 1.00 0.00 C ATOM 0 H ILE A 21 -13.899 -12.240 0.457 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.435 -11.286 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.914 -10.870 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -13.382 -8.643 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.403 -9.928 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.810 -9.008 -0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.457 -10.574 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.643 -9.469 -2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.085 -8.183 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.359 -9.714 1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.322 -8.409 1.304 1.00 0.00 H new ATOM 338 N LYS A 22 -11.533 -12.691 -2.999 1.00 0.00 N ATOM 339 CA LYS A 22 -10.490 -13.581 -3.496 1.00 0.00 C ATOM 340 C LYS A 22 -9.811 -12.988 -4.727 1.00 0.00 C ATOM 341 O LYS A 22 -10.403 -12.183 -5.446 1.00 0.00 O ATOM 342 CB LYS A 22 -11.079 -14.952 -3.835 1.00 0.00 C ATOM 343 CG LYS A 22 -10.029 -16.027 -4.053 1.00 0.00 C ATOM 344 CD LYS A 22 -10.626 -17.420 -3.941 1.00 0.00 C ATOM 345 CE LYS A 22 -10.890 -17.798 -2.491 1.00 0.00 C ATOM 346 NZ LYS A 22 -9.650 -18.253 -1.802 1.00 0.00 N ATOM 0 H LYS A 22 -11.980 -12.123 -3.718 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.742 -13.698 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.743 -15.263 -3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.689 -14.864 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.577 -15.902 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.231 -15.912 -3.319 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.558 -17.464 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.947 -18.145 -4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.306 -16.940 -1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.638 -18.590 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.872 -18.501 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.267 -19.087 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.945 -17.489 -1.816 1.00 0.00 H new ATOM 360 N ILE A 23 -8.568 -13.393 -4.963 1.00 0.00 N ATOM 361 CA ILE A 23 -7.811 -12.904 -6.109 1.00 0.00 C ATOM 362 C ILE A 23 -7.577 -14.014 -7.128 1.00 0.00 C ATOM 363 O ILE A 23 -7.467 -15.188 -6.771 1.00 0.00 O ATOM 364 CB ILE A 23 -6.451 -12.323 -5.678 1.00 0.00 C ATOM 365 CG1 ILE A 23 -6.636 -11.335 -4.524 1.00 0.00 C ATOM 366 CG2 ILE A 23 -5.767 -11.647 -6.857 1.00 0.00 C ATOM 367 CD1 ILE A 23 -6.516 -11.973 -3.158 1.00 0.00 C ATOM 0 H ILE A 23 -8.064 -14.058 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.406 -12.114 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.816 -13.139 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.893 -10.542 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.616 -10.865 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.807 -11.241 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.606 -12.376 -7.651 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.397 -10.839 -7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.658 -11.214 -2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.276 -12.747 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.527 -12.419 -3.050 1.00 0.00 H new ATOM 379 N THR A 24 -7.500 -13.636 -8.400 1.00 0.00 N ATOM 380 CA THR A 24 -7.279 -14.598 -9.471 1.00 0.00 C ATOM 381 C THR A 24 -6.064 -14.218 -10.310 1.00 0.00 C ATOM 382 O THR A 24 -5.851 -13.044 -10.614 1.00 0.00 O ATOM 383 CB THR A 24 -8.509 -14.708 -10.391 1.00 0.00 C ATOM 384 OG1 THR A 24 -9.704 -14.779 -9.605 1.00 0.00 O ATOM 385 CG2 THR A 24 -8.410 -15.936 -11.284 1.00 0.00 C ATOM 0 H THR A 24 -7.588 -12.669 -8.713 1.00 0.00 H new ATOM 0 HA THR A 24 -7.102 -15.563 -8.996 1.00 0.00 H new ATOM 0 HB THR A 24 -8.542 -13.821 -11.023 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.482 -14.847 -10.197 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.290 -15.992 -11.925 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.515 -15.865 -11.902 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.354 -16.832 -10.666 1.00 0.00 H new ATOM 393 N ASP A 25 -5.271 -15.216 -10.681 1.00 0.00 N ATOM 394 CA ASP A 25 -4.077 -14.986 -11.487 1.00 0.00 C ATOM 395 C ASP A 25 -4.400 -15.081 -12.975 1.00 0.00 C ATOM 396 O ASP A 25 -4.316 -16.156 -13.572 1.00 0.00 O ATOM 397 CB ASP A 25 -2.988 -15.995 -11.123 1.00 0.00 C ATOM 398 CG ASP A 25 -3.488 -17.426 -11.158 1.00 0.00 C ATOM 399 OD1 ASP A 25 -4.261 -17.806 -10.254 1.00 0.00 O ATOM 400 OD2 ASP A 25 -3.106 -18.166 -12.089 1.00 0.00 O ATOM 0 H ASP A 25 -5.433 -16.193 -10.437 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.714 -13.980 -11.276 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.152 -15.888 -11.815 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.608 -15.771 -10.127 1.00 0.00 H new ATOM 405 N LEU A 26 -4.769 -13.952 -13.569 1.00 0.00 N ATOM 406 CA LEU A 26 -5.105 -13.908 -14.987 1.00 0.00 C ATOM 407 C LEU A 26 -4.303 -12.825 -15.704 1.00 0.00 C ATOM 408 O LEU A 26 -4.754 -12.262 -16.701 1.00 0.00 O ATOM 409 CB LEU A 26 -6.603 -13.653 -15.169 1.00 0.00 C ATOM 410 CG LEU A 26 -7.517 -14.865 -14.982 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.959 -14.421 -14.794 1.00 0.00 C ATOM 412 CD2 LEU A 26 -7.399 -15.810 -16.169 1.00 0.00 C ATOM 0 H LEU A 26 -4.843 -13.054 -13.090 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.851 -14.873 -15.425 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.908 -12.880 -14.463 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.764 -13.252 -16.170 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.202 -15.399 -14.085 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.595 -15.296 -14.662 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.032 -13.784 -13.913 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.286 -13.864 -15.672 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.056 -16.667 -16.019 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.687 -15.287 -17.081 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.369 -16.154 -16.259 1.00 0.00 H new ATOM 424 N VAL A 27 -3.111 -12.541 -15.189 1.00 0.00 N ATOM 425 CA VAL A 27 -2.244 -11.529 -15.781 1.00 0.00 C ATOM 426 C VAL A 27 -0.785 -11.971 -15.753 1.00 0.00 C ATOM 427 O VAL A 27 -0.391 -12.796 -14.930 1.00 0.00 O ATOM 428 CB VAL A 27 -2.376 -10.180 -15.050 1.00 0.00 C ATOM 429 CG1 VAL A 27 -1.723 -9.069 -15.858 1.00 0.00 C ATOM 430 CG2 VAL A 27 -3.838 -9.863 -14.777 1.00 0.00 C ATOM 0 H VAL A 27 -2.724 -12.997 -14.363 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.562 -11.405 -16.816 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.859 -10.253 -14.093 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.826 -8.123 -15.326 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.666 -9.294 -15.997 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.209 -8.993 -16.831 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.912 -8.906 -14.260 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.381 -9.809 -15.721 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.270 -10.646 -14.154 1.00 0.00 H new ATOM 440 N GLY A 28 0.014 -11.414 -16.658 1.00 0.00 N ATOM 441 CA GLY A 28 1.421 -11.762 -16.719 1.00 0.00 C ATOM 442 C GLY A 28 2.280 -10.859 -15.856 1.00 0.00 C ATOM 443 O GLY A 28 3.348 -10.417 -16.279 1.00 0.00 O ATOM 0 H GLY A 28 -0.288 -10.728 -17.350 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.551 -12.796 -16.399 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.762 -11.703 -17.753 1.00 0.00 H new ATOM 447 N ASP A 29 1.812 -10.582 -14.644 1.00 0.00 N ATOM 448 CA ASP A 29 2.544 -9.725 -13.719 1.00 0.00 C ATOM 449 C ASP A 29 2.900 -8.395 -14.376 1.00 0.00 C ATOM 450 O ASP A 29 3.973 -8.248 -14.960 1.00 0.00 O ATOM 451 CB ASP A 29 3.816 -10.426 -13.238 1.00 0.00 C ATOM 452 CG ASP A 29 4.312 -9.881 -11.914 1.00 0.00 C ATOM 453 OD1 ASP A 29 3.678 -8.945 -11.383 1.00 0.00 O ATOM 454 OD2 ASP A 29 5.335 -10.389 -11.408 1.00 0.00 O ATOM 0 H ASP A 29 0.929 -10.939 -14.279 1.00 0.00 H new ATOM 0 HA ASP A 29 1.901 -9.526 -12.861 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.623 -11.494 -13.138 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.597 -10.312 -13.990 1.00 0.00 H new ATOM 459 N GLN A 30 1.991 -7.430 -14.277 1.00 0.00 N ATOM 460 CA GLN A 30 2.209 -6.113 -14.864 1.00 0.00 C ATOM 461 C GLN A 30 1.334 -5.064 -14.186 1.00 0.00 C ATOM 462 O GLN A 30 0.696 -4.249 -14.852 1.00 0.00 O ATOM 463 CB GLN A 30 1.916 -6.146 -16.365 1.00 0.00 C ATOM 464 CG GLN A 30 0.580 -6.783 -16.710 1.00 0.00 C ATOM 465 CD GLN A 30 -0.352 -5.830 -17.434 1.00 0.00 C ATOM 466 OE1 GLN A 30 -0.141 -5.506 -18.603 1.00 0.00 O ATOM 467 NE2 GLN A 30 -1.389 -5.376 -16.741 1.00 0.00 N ATOM 0 H GLN A 30 1.098 -7.535 -13.796 1.00 0.00 H new ATOM 0 HA GLN A 30 3.254 -5.843 -14.711 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.934 -5.127 -16.753 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.712 -6.694 -16.870 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.751 -7.661 -17.333 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.100 -7.129 -15.795 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.525 -5.671 -15.774 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.050 -4.732 -17.175 1.00 0.00 H new ATOM 476 N ASP A 31 1.309 -5.090 -12.858 1.00 0.00 N ATOM 477 CA ASP A 31 0.513 -4.141 -12.089 1.00 0.00 C ATOM 478 C ASP A 31 -0.975 -4.332 -12.363 1.00 0.00 C ATOM 479 O ASP A 31 -1.672 -3.392 -12.749 1.00 0.00 O ATOM 480 CB ASP A 31 0.926 -2.707 -12.424 1.00 0.00 C ATOM 481 CG ASP A 31 2.420 -2.572 -12.647 1.00 0.00 C ATOM 482 OD1 ASP A 31 3.192 -3.042 -11.786 1.00 0.00 O ATOM 483 OD2 ASP A 31 2.816 -1.996 -13.682 1.00 0.00 O ATOM 0 H ASP A 31 1.831 -5.758 -12.292 1.00 0.00 H new ATOM 0 HA ASP A 31 0.696 -4.326 -11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.397 -2.379 -13.319 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.621 -2.045 -11.613 1.00 0.00 H new ATOM 488 N HIS A 32 -1.457 -5.554 -12.163 1.00 0.00 N ATOM 489 CA HIS A 32 -2.863 -5.869 -12.390 1.00 0.00 C ATOM 490 C HIS A 32 -3.259 -7.146 -11.656 1.00 0.00 C ATOM 491 O HIS A 32 -2.415 -7.993 -11.363 1.00 0.00 O ATOM 492 CB HIS A 32 -3.139 -6.020 -13.886 1.00 0.00 C ATOM 493 CG HIS A 32 -4.597 -6.081 -14.223 1.00 0.00 C ATOM 494 ND1 HIS A 32 -5.537 -5.250 -13.651 1.00 0.00 N ATOM 495 CD2 HIS A 32 -5.275 -6.879 -15.081 1.00 0.00 C ATOM 496 CE1 HIS A 32 -6.730 -5.536 -14.140 1.00 0.00 C ATOM 497 NE2 HIS A 32 -6.599 -6.521 -15.011 1.00 0.00 N ATOM 0 H HIS A 32 -0.895 -6.343 -11.844 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.462 -5.046 -11.999 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.687 -5.182 -14.417 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.653 -6.926 -14.247 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.853 -7.653 -15.705 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.656 -5.048 -13.873 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.357 -6.946 -15.544 1.00 0.00 H new ATOM 505 N TYR A 33 -4.548 -7.278 -11.362 1.00 0.00 N ATOM 506 CA TYR A 33 -5.055 -8.451 -10.659 1.00 0.00 C ATOM 507 C TYR A 33 -6.556 -8.611 -10.880 1.00 0.00 C ATOM 508 O TYR A 33 -7.269 -7.634 -11.106 1.00 0.00 O ATOM 509 CB TYR A 33 -4.757 -8.343 -9.163 1.00 0.00 C ATOM 510 CG TYR A 33 -3.399 -8.884 -8.775 1.00 0.00 C ATOM 511 CD1 TYR A 33 -3.071 -10.216 -8.998 1.00 0.00 C ATOM 512 CD2 TYR A 33 -2.445 -8.064 -8.186 1.00 0.00 C ATOM 513 CE1 TYR A 33 -1.832 -10.715 -8.645 1.00 0.00 C ATOM 514 CE2 TYR A 33 -1.203 -8.554 -7.831 1.00 0.00 C ATOM 515 CZ TYR A 33 -0.901 -9.880 -8.063 1.00 0.00 C ATOM 516 OH TYR A 33 0.334 -10.373 -7.709 1.00 0.00 O ATOM 0 H TYR A 33 -5.260 -6.588 -11.599 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.551 -9.330 -11.060 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.821 -7.297 -8.863 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.525 -8.882 -8.608 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.797 -10.872 -9.455 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.678 -7.026 -8.002 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.594 -11.753 -8.824 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.473 -7.903 -7.374 1.00 0.00 H new ATOM 0 HH TYR A 33 0.871 -9.656 -7.313 1.00 0.00 H new ATOM 526 N ALA A 34 -7.029 -9.851 -10.811 1.00 0.00 N ATOM 527 CA ALA A 34 -8.444 -10.141 -11.000 1.00 0.00 C ATOM 528 C ALA A 34 -9.149 -10.333 -9.661 1.00 0.00 C ATOM 529 O ALA A 34 -9.070 -11.402 -9.054 1.00 0.00 O ATOM 530 CB ALA A 34 -8.618 -11.376 -11.872 1.00 0.00 C ATOM 0 H ALA A 34 -6.452 -10.671 -10.625 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.900 -9.288 -11.502 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.680 -11.581 -12.005 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.158 -11.202 -12.845 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.141 -12.230 -11.392 1.00 0.00 H new ATOM 536 N LEU A 35 -9.838 -9.292 -9.206 1.00 0.00 N ATOM 537 CA LEU A 35 -10.557 -9.346 -7.938 1.00 0.00 C ATOM 538 C LEU A 35 -11.939 -9.967 -8.121 1.00 0.00 C ATOM 539 O LEU A 35 -12.616 -9.713 -9.116 1.00 0.00 O ATOM 540 CB LEU A 35 -10.691 -7.943 -7.345 1.00 0.00 C ATOM 541 CG LEU A 35 -10.375 -7.811 -5.855 1.00 0.00 C ATOM 542 CD1 LEU A 35 -10.744 -6.424 -5.352 1.00 0.00 C ATOM 543 CD2 LEU A 35 -11.106 -8.881 -5.058 1.00 0.00 C ATOM 0 H LEU A 35 -9.914 -8.401 -9.696 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.986 -9.971 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.032 -7.273 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.711 -7.596 -7.512 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.303 -7.952 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.512 -6.349 -4.290 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.175 -5.674 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.810 -6.254 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.869 -8.772 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.181 -8.772 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.792 -9.867 -5.400 1.00 0.00 H new ATOM 555 N GLU A 36 -12.349 -10.780 -7.153 1.00 0.00 N ATOM 556 CA GLU A 36 -13.651 -11.436 -7.208 1.00 0.00 C ATOM 557 C GLU A 36 -14.325 -11.421 -5.839 1.00 0.00 C ATOM 558 O GLU A 36 -13.819 -12.005 -4.880 1.00 0.00 O ATOM 559 CB GLU A 36 -13.501 -12.877 -7.700 1.00 0.00 C ATOM 560 CG GLU A 36 -12.362 -13.631 -7.035 1.00 0.00 C ATOM 561 CD GLU A 36 -12.520 -15.136 -7.137 1.00 0.00 C ATOM 562 OE1 GLU A 36 -13.653 -15.598 -7.387 1.00 0.00 O ATOM 563 OE2 GLU A 36 -11.511 -15.851 -6.967 1.00 0.00 O ATOM 0 H GLU A 36 -11.800 -11.000 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.278 -10.885 -7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.433 -13.412 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.340 -12.869 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.419 -13.337 -7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.307 -13.346 -5.984 1.00 0.00 H new ATOM 570 N ILE A 37 -15.469 -10.751 -5.757 1.00 0.00 N ATOM 571 CA ILE A 37 -16.213 -10.661 -4.507 1.00 0.00 C ATOM 572 C ILE A 37 -17.593 -11.297 -4.641 1.00 0.00 C ATOM 573 O ILE A 37 -18.231 -11.203 -5.689 1.00 0.00 O ATOM 574 CB ILE A 37 -16.376 -9.198 -4.053 1.00 0.00 C ATOM 575 CG1 ILE A 37 -17.087 -9.138 -2.699 1.00 0.00 C ATOM 576 CG2 ILE A 37 -17.145 -8.402 -5.097 1.00 0.00 C ATOM 577 CD1 ILE A 37 -17.154 -7.745 -2.113 1.00 0.00 C ATOM 0 H ILE A 37 -15.901 -10.262 -6.541 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.637 -11.204 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.386 -8.754 -3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -18.100 -9.525 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -16.572 -9.794 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.252 -7.370 -4.762 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -16.602 -8.422 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -18.132 -8.843 -5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -17.671 -7.778 -1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -16.144 -7.362 -1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -17.696 -7.089 -2.795 1.00 0.00 H new ATOM 589 N SER A 38 -18.047 -11.942 -3.571 1.00 0.00 N ATOM 590 CA SER A 38 -19.351 -12.595 -3.570 1.00 0.00 C ATOM 591 C SER A 38 -20.278 -11.956 -2.540 1.00 0.00 C ATOM 592 O SER A 38 -20.193 -12.248 -1.347 1.00 0.00 O ATOM 593 CB SER A 38 -19.196 -14.088 -3.276 1.00 0.00 C ATOM 594 OG SER A 38 -18.047 -14.617 -3.914 1.00 0.00 O ATOM 0 H SER A 38 -17.532 -12.026 -2.695 1.00 0.00 H new ATOM 0 HA SER A 38 -19.794 -12.470 -4.558 1.00 0.00 H new ATOM 0 HB2 SER A 38 -19.122 -14.244 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 38 -20.083 -14.623 -3.616 1.00 0.00 H new ATOM 0 HG SER A 38 -17.970 -15.572 -3.709 1.00 0.00 H new ATOM 600 N ASP A 39 -21.162 -11.083 -3.010 1.00 0.00 N ATOM 601 CA ASP A 39 -22.106 -10.402 -2.131 1.00 0.00 C ATOM 602 C ASP A 39 -23.541 -10.631 -2.594 1.00 0.00 C ATOM 603 O ASP A 39 -23.777 -11.185 -3.668 1.00 0.00 O ATOM 604 CB ASP A 39 -21.804 -8.903 -2.086 1.00 0.00 C ATOM 605 CG ASP A 39 -22.409 -8.156 -3.258 1.00 0.00 C ATOM 606 OD1 ASP A 39 -22.306 -8.656 -4.398 1.00 0.00 O ATOM 607 OD2 ASP A 39 -22.986 -7.070 -3.036 1.00 0.00 O ATOM 0 H ASP A 39 -21.245 -10.830 -3.995 1.00 0.00 H new ATOM 0 HA ASP A 39 -21.996 -10.817 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -22.188 -8.486 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -20.724 -8.753 -2.081 1.00 0.00 H new ATOM 612 N ALA A 40 -24.497 -10.203 -1.776 1.00 0.00 N ATOM 613 CA ALA A 40 -25.909 -10.360 -2.102 1.00 0.00 C ATOM 614 C ALA A 40 -26.647 -9.029 -2.005 1.00 0.00 C ATOM 615 O ALA A 40 -27.876 -8.993 -1.960 1.00 0.00 O ATOM 616 CB ALA A 40 -26.551 -11.390 -1.185 1.00 0.00 C ATOM 0 H ALA A 40 -24.319 -9.745 -0.882 1.00 0.00 H new ATOM 0 HA ALA A 40 -25.982 -10.711 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -27.605 -11.497 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -26.049 -12.350 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -26.459 -11.062 -0.149 1.00 0.00 H new ATOM 622 N GLN A 41 -25.888 -7.939 -1.971 1.00 0.00 N ATOM 623 CA GLN A 41 -26.471 -6.605 -1.877 1.00 0.00 C ATOM 624 C GLN A 41 -26.426 -5.895 -3.226 1.00 0.00 C ATOM 625 O GLN A 41 -27.187 -4.959 -3.472 1.00 0.00 O ATOM 626 CB GLN A 41 -25.733 -5.776 -0.825 1.00 0.00 C ATOM 627 CG GLN A 41 -25.711 -6.419 0.552 1.00 0.00 C ATOM 628 CD GLN A 41 -24.485 -6.035 1.356 1.00 0.00 C ATOM 629 OE1 GLN A 41 -24.451 -4.982 1.994 1.00 0.00 O ATOM 630 NE2 GLN A 41 -23.468 -6.889 1.331 1.00 0.00 N ATOM 0 H GLN A 41 -24.869 -7.953 -2.007 1.00 0.00 H new ATOM 0 HA GLN A 41 -27.514 -6.712 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -24.708 -5.613 -1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -26.204 -4.796 -0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -26.607 -6.126 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -25.744 -7.503 0.443 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -23.538 -7.750 0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -22.617 -6.684 1.854 1.00 0.00 H new ATOM 639 N PHE A 42 -25.529 -6.346 -4.096 1.00 0.00 N ATOM 640 CA PHE A 42 -25.383 -5.752 -5.420 1.00 0.00 C ATOM 641 C PHE A 42 -26.695 -5.823 -6.196 1.00 0.00 C ATOM 642 O PHE A 42 -26.916 -5.059 -7.134 1.00 0.00 O ATOM 643 CB PHE A 42 -24.277 -6.463 -6.202 1.00 0.00 C ATOM 644 CG PHE A 42 -24.718 -7.758 -6.822 1.00 0.00 C ATOM 645 CD1 PHE A 42 -25.248 -8.771 -6.039 1.00 0.00 C ATOM 646 CD2 PHE A 42 -24.602 -7.962 -8.188 1.00 0.00 C ATOM 647 CE1 PHE A 42 -25.654 -9.964 -6.608 1.00 0.00 C ATOM 648 CE2 PHE A 42 -25.007 -9.153 -8.762 1.00 0.00 C ATOM 649 CZ PHE A 42 -25.534 -10.154 -7.970 1.00 0.00 C ATOM 0 H PHE A 42 -24.892 -7.121 -3.908 1.00 0.00 H new ATOM 0 HA PHE A 42 -25.113 -4.704 -5.292 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -23.914 -5.799 -6.986 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -23.438 -6.657 -5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -25.345 -8.627 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -24.191 -7.182 -8.811 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -26.065 -10.747 -5.987 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -24.911 -9.300 -9.828 1.00 0.00 H new ATOM 0 HZ PHE A 42 -25.852 -11.085 -8.416 1.00 0.00 H new ATOM 659 N ASN A 43 -27.563 -6.748 -5.796 1.00 0.00 N ATOM 660 CA ASN A 43 -28.853 -6.920 -6.453 1.00 0.00 C ATOM 661 C ASN A 43 -29.591 -5.589 -6.561 1.00 0.00 C ATOM 662 O ASN A 43 -30.056 -5.043 -5.562 1.00 0.00 O ATOM 663 CB ASN A 43 -29.709 -7.930 -5.686 1.00 0.00 C ATOM 664 CG ASN A 43 -29.528 -9.347 -6.195 1.00 0.00 C ATOM 665 OD1 ASN A 43 -29.982 -9.688 -7.287 1.00 0.00 O ATOM 666 ND2 ASN A 43 -28.861 -10.179 -5.404 1.00 0.00 N ATOM 0 H ASN A 43 -27.396 -7.389 -5.021 1.00 0.00 H new ATOM 0 HA ASN A 43 -28.672 -7.297 -7.460 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -29.451 -7.891 -4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -30.759 -7.649 -5.768 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -28.707 -11.145 -5.694 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -28.502 -9.852 -4.507 1.00 0.00 H new ATOM 673 N GLY A 44 -29.694 -5.073 -7.782 1.00 0.00 N ATOM 674 CA GLY A 44 -30.377 -3.811 -7.998 1.00 0.00 C ATOM 675 C GLY A 44 -29.449 -2.731 -8.519 1.00 0.00 C ATOM 676 O GLY A 44 -29.901 -1.680 -8.974 1.00 0.00 O ATOM 0 H GLY A 44 -29.317 -5.506 -8.625 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -31.191 -3.959 -8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -30.826 -3.479 -7.062 1.00 0.00 H new ATOM 680 N LEU A 45 -28.148 -2.989 -8.451 1.00 0.00 N ATOM 681 CA LEU A 45 -27.152 -2.031 -8.919 1.00 0.00 C ATOM 682 C LEU A 45 -26.743 -2.328 -10.357 1.00 0.00 C ATOM 683 O LEU A 45 -27.138 -3.345 -10.928 1.00 0.00 O ATOM 684 CB LEU A 45 -25.922 -2.059 -8.010 1.00 0.00 C ATOM 685 CG LEU A 45 -26.105 -1.464 -6.613 1.00 0.00 C ATOM 686 CD1 LEU A 45 -24.856 -1.681 -5.773 1.00 0.00 C ATOM 687 CD2 LEU A 45 -26.438 0.018 -6.705 1.00 0.00 C ATOM 0 H LEU A 45 -27.758 -3.854 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 45 -27.598 -1.037 -8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -25.598 -3.094 -7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -25.115 -1.523 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 45 -26.937 -1.974 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -25.005 -1.251 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -24.662 -2.749 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.005 -1.198 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.565 0.425 -5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.627 0.543 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -27.361 0.149 -7.269 1.00 0.00 H new ATOM 699 N SER A 46 -25.947 -1.436 -10.937 1.00 0.00 N ATOM 700 CA SER A 46 -25.485 -1.602 -12.311 1.00 0.00 C ATOM 701 C SER A 46 -24.013 -2.002 -12.344 1.00 0.00 C ATOM 702 O SER A 46 -23.311 -1.917 -11.335 1.00 0.00 O ATOM 703 CB SER A 46 -25.691 -0.308 -13.100 1.00 0.00 C ATOM 704 OG SER A 46 -25.436 -0.506 -14.480 1.00 0.00 O ATOM 0 H SER A 46 -25.608 -0.591 -10.477 1.00 0.00 H new ATOM 0 HA SER A 46 -26.070 -2.398 -12.772 1.00 0.00 H new ATOM 0 HB2 SER A 46 -26.713 0.046 -12.963 1.00 0.00 H new ATOM 0 HB3 SER A 46 -25.030 0.467 -12.712 1.00 0.00 H new ATOM 0 HG SER A 46 -25.576 0.335 -14.963 1.00 0.00 H new ATOM 710 N LEU A 47 -23.552 -2.439 -13.510 1.00 0.00 N ATOM 711 CA LEU A 47 -22.163 -2.853 -13.677 1.00 0.00 C ATOM 712 C LEU A 47 -21.208 -1.738 -13.263 1.00 0.00 C ATOM 713 O LEU A 47 -20.068 -1.995 -12.876 1.00 0.00 O ATOM 714 CB LEU A 47 -21.900 -3.251 -15.131 1.00 0.00 C ATOM 715 CG LEU A 47 -22.298 -4.675 -15.519 1.00 0.00 C ATOM 716 CD1 LEU A 47 -21.551 -5.689 -14.667 1.00 0.00 C ATOM 717 CD2 LEU A 47 -23.802 -4.865 -15.383 1.00 0.00 C ATOM 0 H LEU A 47 -24.119 -2.516 -14.354 1.00 0.00 H new ATOM 0 HA LEU A 47 -21.987 -3.715 -13.033 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -22.434 -2.556 -15.779 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -20.837 -3.124 -15.335 1.00 0.00 H new ATOM 0 HG LEU A 47 -22.025 -4.836 -16.562 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -21.847 -6.697 -14.958 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.478 -5.569 -14.816 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -21.792 -5.529 -13.616 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -24.067 -5.884 -15.663 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -24.100 -4.684 -14.350 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -24.318 -4.163 -16.038 1.00 0.00 H new ATOM 729 N ILE A 48 -21.683 -0.499 -13.345 1.00 0.00 N ATOM 730 CA ILE A 48 -20.873 0.655 -12.975 1.00 0.00 C ATOM 731 C ILE A 48 -20.886 0.875 -11.466 1.00 0.00 C ATOM 732 O ILE A 48 -19.854 1.161 -10.861 1.00 0.00 O ATOM 733 CB ILE A 48 -21.365 1.936 -13.673 1.00 0.00 C ATOM 734 CG1 ILE A 48 -21.349 1.753 -15.192 1.00 0.00 C ATOM 735 CG2 ILE A 48 -20.506 3.124 -13.268 1.00 0.00 C ATOM 736 CD1 ILE A 48 -19.970 1.484 -15.754 1.00 0.00 C ATOM 0 H ILE A 48 -22.624 -0.269 -13.664 1.00 0.00 H new ATOM 0 HA ILE A 48 -19.855 0.442 -13.300 1.00 0.00 H new ATOM 0 HB ILE A 48 -22.391 2.131 -13.360 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -22.008 0.926 -15.457 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -21.756 2.648 -15.662 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -20.867 4.022 -13.770 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -20.564 3.264 -12.189 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.471 2.939 -13.555 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -20.035 1.365 -16.836 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -19.312 2.321 -15.520 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -19.568 0.572 -15.312 1.00 0.00 H new ATOM 748 N ASN A 49 -22.063 0.736 -10.863 1.00 0.00 N ATOM 749 CA ASN A 49 -22.211 0.919 -9.424 1.00 0.00 C ATOM 750 C ASN A 49 -21.439 -0.151 -8.658 1.00 0.00 C ATOM 751 O ASN A 49 -20.837 0.127 -7.622 1.00 0.00 O ATOM 752 CB ASN A 49 -23.689 0.876 -9.033 1.00 0.00 C ATOM 753 CG ASN A 49 -24.471 2.046 -9.598 1.00 0.00 C ATOM 754 OD1 ASN A 49 -23.912 3.110 -9.864 1.00 0.00 O ATOM 755 ND2 ASN A 49 -25.772 1.854 -9.784 1.00 0.00 N ATOM 0 H ASN A 49 -22.927 0.497 -11.349 1.00 0.00 H new ATOM 0 HA ASN A 49 -21.801 1.895 -9.162 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -24.129 -0.056 -9.387 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -23.775 0.876 -7.946 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -26.350 2.605 -10.161 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -26.194 0.955 -9.549 1.00 0.00 H new ATOM 762 N GLN A 50 -21.462 -1.375 -9.177 1.00 0.00 N ATOM 763 CA GLN A 50 -20.765 -2.487 -8.541 1.00 0.00 C ATOM 764 C GLN A 50 -19.255 -2.269 -8.568 1.00 0.00 C ATOM 765 O GLN A 50 -18.557 -2.572 -7.600 1.00 0.00 O ATOM 766 CB GLN A 50 -21.115 -3.802 -9.239 1.00 0.00 C ATOM 767 CG GLN A 50 -22.541 -4.264 -8.986 1.00 0.00 C ATOM 768 CD GLN A 50 -23.160 -4.937 -10.195 1.00 0.00 C ATOM 769 OE1 GLN A 50 -22.633 -5.923 -10.709 1.00 0.00 O ATOM 770 NE2 GLN A 50 -24.286 -4.405 -10.656 1.00 0.00 N ATOM 0 H GLN A 50 -21.955 -1.621 -10.035 1.00 0.00 H new ATOM 0 HA GLN A 50 -21.088 -2.539 -7.501 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -20.965 -3.685 -10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -20.426 -4.577 -8.903 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -22.550 -4.957 -8.145 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -23.151 -3.407 -8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -24.688 -3.587 -10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -24.749 -4.815 -11.467 1.00 0.00 H new ATOM 779 N HIS A 51 -18.758 -1.744 -9.683 1.00 0.00 N ATOM 780 CA HIS A 51 -17.331 -1.486 -9.836 1.00 0.00 C ATOM 781 C HIS A 51 -16.935 -0.188 -9.138 1.00 0.00 C ATOM 782 O HIS A 51 -15.780 -0.004 -8.754 1.00 0.00 O ATOM 783 CB HIS A 51 -16.960 -1.415 -11.318 1.00 0.00 C ATOM 784 CG HIS A 51 -15.603 -1.971 -11.623 1.00 0.00 C ATOM 785 ND1 HIS A 51 -14.435 -1.273 -11.396 1.00 0.00 N ATOM 786 CD2 HIS A 51 -15.231 -3.166 -12.139 1.00 0.00 C ATOM 787 CE1 HIS A 51 -13.404 -2.014 -11.760 1.00 0.00 C ATOM 788 NE2 HIS A 51 -13.860 -3.168 -12.214 1.00 0.00 N ATOM 0 H HIS A 51 -19.322 -1.489 -10.494 1.00 0.00 H new ATOM 0 HA HIS A 51 -16.787 -2.308 -9.372 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -17.705 -1.960 -11.897 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -17.000 -0.376 -11.645 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -14.377 -0.332 -11.008 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -15.890 -3.968 -12.436 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -12.365 -1.726 -11.697 1.00 0.00 H new ATOM 796 N LYS A 52 -17.901 0.710 -8.978 1.00 0.00 N ATOM 797 CA LYS A 52 -17.656 1.991 -8.326 1.00 0.00 C ATOM 798 C LYS A 52 -17.656 1.838 -6.808 1.00 0.00 C ATOM 799 O LYS A 52 -16.784 2.370 -6.120 1.00 0.00 O ATOM 800 CB LYS A 52 -18.715 3.012 -8.747 1.00 0.00 C ATOM 801 CG LYS A 52 -18.307 3.853 -9.944 1.00 0.00 C ATOM 802 CD LYS A 52 -19.116 5.137 -10.026 1.00 0.00 C ATOM 803 CE LYS A 52 -19.073 5.734 -11.424 1.00 0.00 C ATOM 804 NZ LYS A 52 -17.917 6.657 -11.597 1.00 0.00 N ATOM 0 H LYS A 52 -18.862 0.574 -9.291 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.674 2.347 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.641 2.487 -8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -18.927 3.672 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -17.246 4.094 -9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.444 3.276 -10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -20.150 4.935 -9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.727 5.860 -9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.011 4.932 -12.160 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -20.000 6.273 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -17.923 7.043 -12.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.989 7.436 -10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.031 6.137 -11.437 1.00 0.00 H new ATOM 818 N LEU A 53 -18.639 1.107 -6.292 1.00 0.00 N ATOM 819 CA LEU A 53 -18.752 0.883 -4.855 1.00 0.00 C ATOM 820 C LEU A 53 -17.434 0.379 -4.277 1.00 0.00 C ATOM 821 O LEU A 53 -16.910 0.942 -3.315 1.00 0.00 O ATOM 822 CB LEU A 53 -19.867 -0.122 -4.563 1.00 0.00 C ATOM 823 CG LEU A 53 -21.266 0.465 -4.367 1.00 0.00 C ATOM 824 CD1 LEU A 53 -22.287 -0.644 -4.164 1.00 0.00 C ATOM 825 CD2 LEU A 53 -21.280 1.428 -3.189 1.00 0.00 C ATOM 0 H LEU A 53 -19.368 0.660 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 53 -18.995 1.834 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -19.907 -0.838 -5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -19.600 -0.680 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 53 -21.536 1.019 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -23.276 -0.207 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.296 -1.295 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -22.021 -1.226 -3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -22.283 1.836 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -20.989 0.898 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -20.578 2.241 -3.375 1.00 0.00 H new ATOM 837 N VAL A 54 -16.900 -0.683 -4.872 1.00 0.00 N ATOM 838 CA VAL A 54 -15.641 -1.261 -4.419 1.00 0.00 C ATOM 839 C VAL A 54 -14.531 -0.216 -4.402 1.00 0.00 C ATOM 840 O VAL A 54 -13.626 -0.268 -3.569 1.00 0.00 O ATOM 841 CB VAL A 54 -15.209 -2.438 -5.313 1.00 0.00 C ATOM 842 CG1 VAL A 54 -16.169 -3.608 -5.156 1.00 0.00 C ATOM 843 CG2 VAL A 54 -15.124 -1.999 -6.767 1.00 0.00 C ATOM 0 H VAL A 54 -17.320 -1.161 -5.669 1.00 0.00 H new ATOM 0 HA VAL A 54 -15.808 -1.627 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.219 -2.767 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.848 -4.430 -5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -16.175 -3.937 -4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -17.173 -3.296 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -14.817 -2.843 -7.385 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.100 -1.643 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.394 -1.196 -6.862 1.00 0.00 H new ATOM 853 N LYS A 55 -14.606 0.733 -5.329 1.00 0.00 N ATOM 854 CA LYS A 55 -13.609 1.794 -5.421 1.00 0.00 C ATOM 855 C LYS A 55 -13.878 2.885 -4.390 1.00 0.00 C ATOM 856 O LYS A 55 -12.958 3.563 -3.936 1.00 0.00 O ATOM 857 CB LYS A 55 -13.605 2.396 -6.828 1.00 0.00 C ATOM 858 CG LYS A 55 -13.235 1.402 -7.915 1.00 0.00 C ATOM 859 CD LYS A 55 -11.730 1.218 -8.014 1.00 0.00 C ATOM 860 CE LYS A 55 -11.233 0.156 -7.045 1.00 0.00 C ATOM 861 NZ LYS A 55 -10.051 -0.574 -7.580 1.00 0.00 N ATOM 0 H LYS A 55 -15.347 0.789 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.631 1.359 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.593 2.804 -7.042 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.903 3.229 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.707 0.442 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.624 1.747 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.463 0.936 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.232 2.165 -7.804 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.972 0.624 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.035 -0.553 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.878 -1.423 -7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.233 -0.854 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.216 0.045 -7.545 1.00 0.00 H new ATOM 875 N ASN A 56 -15.145 3.047 -4.024 1.00 0.00 N ATOM 876 CA ASN A 56 -15.535 4.056 -3.045 1.00 0.00 C ATOM 877 C ASN A 56 -15.257 3.572 -1.625 1.00 0.00 C ATOM 878 O ASN A 56 -14.836 4.346 -0.766 1.00 0.00 O ATOM 879 CB ASN A 56 -17.018 4.398 -3.198 1.00 0.00 C ATOM 880 CG ASN A 56 -17.331 5.025 -4.543 1.00 0.00 C ATOM 881 OD1 ASN A 56 -16.695 5.996 -4.951 1.00 0.00 O ATOM 882 ND2 ASN A 56 -18.317 4.470 -5.238 1.00 0.00 N ATOM 0 H ASN A 56 -15.919 2.493 -4.390 1.00 0.00 H new ATOM 0 HA ASN A 56 -14.942 4.952 -3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -17.611 3.492 -3.076 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.314 5.083 -2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -18.574 4.848 -6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -18.817 3.665 -4.860 1.00 0.00 H new ATOM 889 N ALA A 57 -15.494 2.286 -1.387 1.00 0.00 N ATOM 890 CA ALA A 57 -15.267 1.698 -0.073 1.00 0.00 C ATOM 891 C ALA A 57 -13.794 1.772 0.315 1.00 0.00 C ATOM 892 O ALA A 57 -13.440 1.611 1.484 1.00 0.00 O ATOM 893 CB ALA A 57 -15.749 0.255 -0.050 1.00 0.00 C ATOM 0 H ALA A 57 -15.843 1.632 -2.087 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.837 2.272 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.573 -0.172 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.815 0.224 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.204 -0.323 -0.797 1.00 0.00 H new ATOM 899 N LEU A 58 -12.939 2.015 -0.672 1.00 0.00 N ATOM 900 CA LEU A 58 -11.503 2.110 -0.435 1.00 0.00 C ATOM 901 C LEU A 58 -11.003 3.530 -0.682 1.00 0.00 C ATOM 902 O LEU A 58 -9.879 3.875 -0.318 1.00 0.00 O ATOM 903 CB LEU A 58 -10.751 1.128 -1.335 1.00 0.00 C ATOM 904 CG LEU A 58 -11.056 1.220 -2.830 1.00 0.00 C ATOM 905 CD1 LEU A 58 -10.280 2.364 -3.464 1.00 0.00 C ATOM 906 CD2 LEU A 58 -10.731 -0.096 -3.523 1.00 0.00 C ATOM 0 H LEU A 58 -13.215 2.150 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.314 1.854 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.681 1.282 -1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.975 0.115 -1.000 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.121 1.419 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.510 2.414 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.562 3.303 -2.988 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.211 2.196 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.954 -0.012 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.674 -0.325 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.332 -0.894 -3.088 1.00 0.00 H new ATOM 918 N SER A 59 -11.846 4.349 -1.302 1.00 0.00 N ATOM 919 CA SER A 59 -11.489 5.731 -1.599 1.00 0.00 C ATOM 920 C SER A 59 -11.702 6.622 -0.379 1.00 0.00 C ATOM 921 O SER A 59 -11.066 7.666 -0.242 1.00 0.00 O ATOM 922 CB SER A 59 -12.317 6.252 -2.776 1.00 0.00 C ATOM 923 OG SER A 59 -12.047 7.621 -3.022 1.00 0.00 O ATOM 0 H SER A 59 -12.781 4.080 -1.608 1.00 0.00 H new ATOM 0 HA SER A 59 -10.433 5.758 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.094 5.668 -3.669 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.378 6.119 -2.565 1.00 0.00 H new ATOM 0 HG SER A 59 -12.587 7.930 -3.779 1.00 0.00 H new ATOM 929 N GLU A 60 -12.602 6.200 0.504 1.00 0.00 N ATOM 930 CA GLU A 60 -12.900 6.960 1.713 1.00 0.00 C ATOM 931 C GLU A 60 -12.051 6.473 2.884 1.00 0.00 C ATOM 932 O GLU A 60 -11.568 7.271 3.688 1.00 0.00 O ATOM 933 CB GLU A 60 -14.385 6.844 2.062 1.00 0.00 C ATOM 934 CG GLU A 60 -15.303 6.938 0.854 1.00 0.00 C ATOM 935 CD GLU A 60 -16.470 7.880 1.081 1.00 0.00 C ATOM 936 OE1 GLU A 60 -16.251 9.109 1.063 1.00 0.00 O ATOM 937 OE2 GLU A 60 -17.601 7.388 1.275 1.00 0.00 O ATOM 0 H GLU A 60 -13.137 5.337 0.405 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.660 8.006 1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.558 5.893 2.566 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.646 7.632 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.729 7.277 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.683 5.945 0.613 1.00 0.00 H new ATOM 944 N ILE A 61 -11.875 5.159 2.974 1.00 0.00 N ATOM 945 CA ILE A 61 -11.085 4.566 4.045 1.00 0.00 C ATOM 946 C ILE A 61 -9.592 4.743 3.791 1.00 0.00 C ATOM 947 O ILE A 61 -8.789 4.761 4.725 1.00 0.00 O ATOM 948 CB ILE A 61 -11.393 3.066 4.208 1.00 0.00 C ATOM 949 CG1 ILE A 61 -12.904 2.829 4.194 1.00 0.00 C ATOM 950 CG2 ILE A 61 -10.780 2.536 5.495 1.00 0.00 C ATOM 951 CD1 ILE A 61 -13.651 3.628 5.239 1.00 0.00 C ATOM 0 H ILE A 61 -12.269 4.485 2.318 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.358 5.086 4.963 1.00 0.00 H new ATOM 0 HB ILE A 61 -10.952 2.527 3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -13.294 3.081 3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -13.099 1.768 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.007 1.475 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.699 2.675 5.468 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.194 3.078 6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.717 3.410 5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -13.288 3.359 6.231 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -13.487 4.692 5.069 1.00 0.00 H new ATOM 963 N LEU A 62 -9.226 4.874 2.520 1.00 0.00 N ATOM 964 CA LEU A 62 -7.829 5.052 2.141 1.00 0.00 C ATOM 965 C LEU A 62 -6.976 3.892 2.645 1.00 0.00 C ATOM 966 O LEU A 62 -5.841 4.085 3.079 1.00 0.00 O ATOM 967 CB LEU A 62 -7.293 6.372 2.697 1.00 0.00 C ATOM 968 CG LEU A 62 -7.658 7.630 1.908 1.00 0.00 C ATOM 969 CD1 LEU A 62 -7.164 7.524 0.474 1.00 0.00 C ATOM 970 CD2 LEU A 62 -9.162 7.862 1.940 1.00 0.00 C ATOM 0 H LEU A 62 -9.877 4.860 1.735 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.774 5.074 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.658 6.488 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.207 6.305 2.753 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.168 8.484 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.433 8.429 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.080 7.407 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.624 6.660 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.404 8.761 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.672 7.006 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.489 7.985 2.972 1.00 0.00 H new ATOM 982 N ASN A 63 -7.531 2.685 2.582 1.00 0.00 N ATOM 983 CA ASN A 63 -6.821 1.493 3.030 1.00 0.00 C ATOM 984 C ASN A 63 -6.115 0.810 1.863 1.00 0.00 C ATOM 985 O ASN A 63 -6.069 -0.418 1.783 1.00 0.00 O ATOM 986 CB ASN A 63 -7.791 0.516 3.696 1.00 0.00 C ATOM 987 CG ASN A 63 -9.058 0.317 2.886 1.00 0.00 C ATOM 988 OD1 ASN A 63 -9.103 0.630 1.697 1.00 0.00 O ATOM 989 ND2 ASN A 63 -10.095 -0.207 3.529 1.00 0.00 N ATOM 0 H ASN A 63 -8.470 2.507 2.225 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.069 1.800 3.757 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.296 -0.445 3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.051 0.886 4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.974 -0.365 3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.013 -0.452 4.516 1.00 0.00 H new ATOM 996 N LYS A 64 -5.565 1.613 0.958 1.00 0.00 N ATOM 997 CA LYS A 64 -4.859 1.088 -0.204 1.00 0.00 C ATOM 998 C LYS A 64 -4.045 2.182 -0.887 1.00 0.00 C ATOM 999 O LYS A 64 -4.085 3.344 -0.482 1.00 0.00 O ATOM 1000 CB LYS A 64 -5.852 0.481 -1.198 1.00 0.00 C ATOM 1001 CG LYS A 64 -5.779 -1.034 -1.283 1.00 0.00 C ATOM 1002 CD LYS A 64 -4.741 -1.486 -2.297 1.00 0.00 C ATOM 1003 CE LYS A 64 -3.416 -1.816 -1.629 1.00 0.00 C ATOM 1004 NZ LYS A 64 -2.715 -2.939 -2.312 1.00 0.00 N ATOM 0 H LYS A 64 -5.595 2.631 1.008 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.175 0.311 0.138 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.863 0.772 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.666 0.901 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.534 -1.443 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.756 -1.431 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.109 -2.363 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.590 -0.702 -3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.777 -0.933 -1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.591 -2.078 -0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.816 -3.134 -1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.314 -3.789 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.525 -2.680 -3.301 1.00 0.00 H new ATOM 1018 N LYS A 65 -3.308 1.804 -1.926 1.00 0.00 N ATOM 1019 CA LYS A 65 -2.487 2.753 -2.668 1.00 0.00 C ATOM 1020 C LYS A 65 -3.103 3.059 -4.029 1.00 0.00 C ATOM 1021 O LYS A 65 -3.947 2.310 -4.522 1.00 0.00 O ATOM 1022 CB LYS A 65 -1.071 2.201 -2.850 1.00 0.00 C ATOM 1023 CG LYS A 65 -0.330 1.984 -1.542 1.00 0.00 C ATOM 1024 CD LYS A 65 0.994 1.271 -1.762 1.00 0.00 C ATOM 1025 CE LYS A 65 2.058 2.222 -2.287 1.00 0.00 C ATOM 1026 NZ LYS A 65 3.414 1.607 -2.258 1.00 0.00 N ATOM 0 H LYS A 65 -3.263 0.846 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.439 3.679 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.125 1.255 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.499 2.889 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.151 2.945 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.951 1.399 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.330 0.829 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.855 0.453 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.813 2.513 -3.308 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.059 3.132 -1.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.111 2.287 -2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.659 1.352 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.420 0.752 -2.850 1.00 0.00 H new ATOM 1040 N LEU A 66 -2.675 4.163 -4.632 1.00 0.00 N ATOM 1041 CA LEU A 66 -3.184 4.567 -5.938 1.00 0.00 C ATOM 1042 C LEU A 66 -2.885 3.505 -6.992 1.00 0.00 C ATOM 1043 O LEU A 66 -1.794 3.473 -7.562 1.00 0.00 O ATOM 1044 CB LEU A 66 -2.570 5.904 -6.356 1.00 0.00 C ATOM 1045 CG LEU A 66 -3.149 7.148 -5.682 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -2.574 7.315 -4.284 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -2.876 8.387 -6.524 1.00 0.00 C ATOM 0 H LEU A 66 -1.977 4.794 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.265 4.680 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.500 5.869 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.685 6.013 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.228 7.021 -5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.998 8.206 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.821 6.440 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.491 7.419 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.295 9.263 -6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.800 8.517 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.337 8.269 -7.505 1.00 0.00 H new ATOM 1059 N HIS A 67 -3.861 2.640 -7.247 1.00 0.00 N ATOM 1060 CA HIS A 67 -3.703 1.578 -8.234 1.00 0.00 C ATOM 1061 C HIS A 67 -5.019 1.307 -8.956 1.00 0.00 C ATOM 1062 O HIS A 67 -6.026 1.967 -8.700 1.00 0.00 O ATOM 1063 CB HIS A 67 -3.203 0.299 -7.563 1.00 0.00 C ATOM 1064 CG HIS A 67 -2.204 -0.457 -8.385 1.00 0.00 C ATOM 1065 ND1 HIS A 67 -0.925 -0.001 -8.622 1.00 0.00 N ATOM 1066 CD2 HIS A 67 -2.302 -1.647 -9.024 1.00 0.00 C ATOM 1067 CE1 HIS A 67 -0.280 -0.875 -9.374 1.00 0.00 C ATOM 1068 NE2 HIS A 67 -1.094 -1.884 -9.631 1.00 0.00 N ATOM 0 H HIS A 67 -4.770 2.654 -6.784 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.967 1.905 -8.968 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.753 0.554 -6.603 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.054 -0.349 -7.354 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -0.537 0.875 -8.271 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.169 -2.290 -9.051 1.00 0.00 H new ATOM 0 HE1 HIS A 67 0.739 -0.781 -9.720 1.00 0.00 H new ATOM 1076 N SER A 68 -5.003 0.332 -9.860 1.00 0.00 N ATOM 1077 CA SER A 68 -6.195 -0.023 -10.622 1.00 0.00 C ATOM 1078 C SER A 68 -6.183 -1.504 -10.989 1.00 0.00 C ATOM 1079 O SER A 68 -5.273 -1.979 -11.668 1.00 0.00 O ATOM 1080 CB SER A 68 -6.287 0.828 -11.890 1.00 0.00 C ATOM 1081 OG SER A 68 -5.217 0.543 -12.774 1.00 0.00 O ATOM 0 H SER A 68 -4.178 -0.226 -10.082 1.00 0.00 H new ATOM 0 HA SER A 68 -7.067 0.172 -9.998 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.237 0.639 -12.391 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.272 1.885 -11.624 1.00 0.00 H new ATOM 0 HG SER A 68 -4.952 -0.395 -12.675 1.00 0.00 H new ATOM 1087 N ILE A 69 -7.201 -2.227 -10.534 1.00 0.00 N ATOM 1088 CA ILE A 69 -7.310 -3.653 -10.815 1.00 0.00 C ATOM 1089 C ILE A 69 -8.716 -4.017 -11.278 1.00 0.00 C ATOM 1090 O ILE A 69 -9.637 -3.204 -11.197 1.00 0.00 O ATOM 1091 CB ILE A 69 -6.954 -4.499 -9.578 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -7.786 -4.055 -8.373 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -5.468 -4.390 -9.272 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -7.504 -4.851 -7.118 1.00 0.00 C ATOM 0 H ILE A 69 -7.962 -1.849 -9.969 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.600 -3.872 -11.612 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.185 -5.543 -9.791 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.592 -3.001 -8.176 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.844 -4.144 -8.620 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.232 -4.993 -8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.893 -4.750 -10.126 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.212 -3.349 -9.076 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.129 -4.482 -6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.726 -5.903 -7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.454 -4.742 -6.847 1.00 0.00 H new ATOM 1106 N SER A 70 -8.875 -5.244 -11.763 1.00 0.00 N ATOM 1107 CA SER A 70 -10.169 -5.716 -12.241 1.00 0.00 C ATOM 1108 C SER A 70 -11.047 -6.166 -11.077 1.00 0.00 C ATOM 1109 O SER A 70 -10.574 -6.816 -10.144 1.00 0.00 O ATOM 1110 CB SER A 70 -9.983 -6.869 -13.229 1.00 0.00 C ATOM 1111 OG SER A 70 -11.121 -7.712 -13.250 1.00 0.00 O ATOM 0 H SER A 70 -8.123 -5.930 -11.835 1.00 0.00 H new ATOM 0 HA SER A 70 -10.664 -4.888 -12.749 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.803 -6.471 -14.228 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.102 -7.449 -12.954 1.00 0.00 H new ATOM 0 HG SER A 70 -10.977 -8.440 -13.890 1.00 0.00 H new ATOM 1117 N ILE A 71 -12.328 -5.817 -11.140 1.00 0.00 N ATOM 1118 CA ILE A 71 -13.272 -6.185 -10.093 1.00 0.00 C ATOM 1119 C ILE A 71 -14.478 -6.916 -10.673 1.00 0.00 C ATOM 1120 O ILE A 71 -15.346 -6.307 -11.299 1.00 0.00 O ATOM 1121 CB ILE A 71 -13.761 -4.949 -9.315 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -12.576 -4.220 -8.677 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -14.773 -5.356 -8.255 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -12.699 -2.713 -8.722 1.00 0.00 C ATOM 0 H ILE A 71 -12.735 -5.280 -11.905 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.742 -6.848 -9.409 1.00 0.00 H new ATOM 0 HB ILE A 71 -14.250 -4.269 -10.012 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.480 -4.538 -7.639 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.660 -4.517 -9.187 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -15.109 -4.471 -7.714 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.627 -5.835 -8.733 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -14.309 -6.053 -7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.825 -2.262 -8.252 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.764 -2.384 -9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.597 -2.405 -8.187 1.00 0.00 H new ATOM 1136 N LYS A 72 -14.528 -8.227 -10.459 1.00 0.00 N ATOM 1137 CA LYS A 72 -15.629 -9.043 -10.957 1.00 0.00 C ATOM 1138 C LYS A 72 -16.752 -9.127 -9.928 1.00 0.00 C ATOM 1139 O LYS A 72 -16.508 -9.368 -8.745 1.00 0.00 O ATOM 1140 CB LYS A 72 -15.133 -10.449 -11.303 1.00 0.00 C ATOM 1141 CG LYS A 72 -16.205 -11.341 -11.904 1.00 0.00 C ATOM 1142 CD LYS A 72 -15.887 -12.812 -11.695 1.00 0.00 C ATOM 1143 CE LYS A 72 -17.062 -13.697 -12.081 1.00 0.00 C ATOM 1144 NZ LYS A 72 -17.078 -13.994 -13.540 1.00 0.00 N ATOM 0 H LYS A 72 -13.818 -8.747 -9.943 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.020 -8.571 -11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.303 -10.370 -12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.744 -10.920 -10.400 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.169 -11.108 -11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.295 -11.135 -12.971 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.015 -13.085 -12.289 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.628 -12.984 -10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.012 -14.631 -11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.994 -13.206 -11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.894 -14.600 -13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.151 -13.105 -14.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.200 -14.485 -13.804 1.00 0.00 H new ATOM 1158 N THR A 73 -17.984 -8.929 -10.386 1.00 0.00 N ATOM 1159 CA THR A 73 -19.144 -8.983 -9.506 1.00 0.00 C ATOM 1160 C THR A 73 -19.769 -10.374 -9.505 1.00 0.00 C ATOM 1161 O THR A 73 -20.175 -10.883 -10.550 1.00 0.00 O ATOM 1162 CB THR A 73 -20.213 -7.954 -9.921 1.00 0.00 C ATOM 1163 OG1 THR A 73 -20.929 -8.426 -11.067 1.00 0.00 O ATOM 1164 CG2 THR A 73 -19.575 -6.609 -10.235 1.00 0.00 C ATOM 0 H THR A 73 -18.204 -8.730 -11.362 1.00 0.00 H new ATOM 0 HA THR A 73 -18.790 -8.745 -8.503 1.00 0.00 H new ATOM 0 HB THR A 73 -20.905 -7.826 -9.088 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.603 -9.317 -11.312 1.00 0.00 H new ATOM 0 HG21 THR A 73 -20.349 -5.898 -10.526 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.055 -6.238 -9.352 1.00 0.00 H new ATOM 0 HG23 THR A 73 -18.864 -6.726 -11.053 1.00 0.00 H new ATOM 1172 N ILE A 74 -19.843 -10.983 -8.326 1.00 0.00 N ATOM 1173 CA ILE A 74 -20.420 -12.314 -8.190 1.00 0.00 C ATOM 1174 C ILE A 74 -21.437 -12.359 -7.054 1.00 0.00 C ATOM 1175 O ILE A 74 -21.308 -11.641 -6.063 1.00 0.00 O ATOM 1176 CB ILE A 74 -19.334 -13.375 -7.932 1.00 0.00 C ATOM 1177 CG1 ILE A 74 -18.228 -13.270 -8.984 1.00 0.00 C ATOM 1178 CG2 ILE A 74 -19.944 -14.769 -7.934 1.00 0.00 C ATOM 1179 CD1 ILE A 74 -17.074 -12.387 -8.562 1.00 0.00 C ATOM 0 H ILE A 74 -19.511 -10.576 -7.452 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.920 -12.538 -9.132 1.00 0.00 H new ATOM 0 HB ILE A 74 -18.895 -13.193 -6.951 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.850 -14.269 -9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -18.653 -12.881 -9.909 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.164 -15.508 -7.750 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -20.699 -14.837 -7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -20.406 -14.962 -8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.328 -12.359 -9.356 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.439 -11.378 -8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.623 -12.787 -7.654 1.00 0.00 H new ATOM 1191 N SER A 75 -22.448 -13.208 -7.206 1.00 0.00 N ATOM 1192 CA SER A 75 -23.490 -13.346 -6.194 1.00 0.00 C ATOM 1193 C SER A 75 -23.391 -14.697 -5.493 1.00 0.00 C ATOM 1194 O SER A 75 -23.005 -15.696 -6.100 1.00 0.00 O ATOM 1195 CB SER A 75 -24.872 -13.188 -6.830 1.00 0.00 C ATOM 1196 OG SER A 75 -25.447 -14.451 -7.121 1.00 0.00 O ATOM 0 H SER A 75 -22.568 -13.811 -8.020 1.00 0.00 H new ATOM 0 HA SER A 75 -23.348 -12.560 -5.452 1.00 0.00 H new ATOM 0 HB2 SER A 75 -25.525 -12.634 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 75 -24.790 -12.603 -7.746 1.00 0.00 H new ATOM 0 HG SER A 75 -26.330 -14.323 -7.525 1.00 0.00 H new