USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 549 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 Single : A 21 LYS NZ :NH3+ -116:sc= -0.0533! (180deg=-6.16!) USER MOD Single : A 22 THR OG1 : rot -2:sc= 1.15 USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= 1.42 (180deg=-0.375) USER MOD Single : A 31 SER OG : rot -98:sc= -0.775 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -1.23! (180deg=-1.63!) USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= 0.222 (180deg=-1.33!) USER MOD Single : A 41 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 143:sc= -1.44 (180deg=-4.05!) USER MOD Single : A 47 GLN : amide:sc= 1.21 K(o=1.2,f=-0.038) USER MOD Single : A 55 THR OG1 : rot 170:sc= 0.125 USER MOD Single : A 58 THR OG1 : rot 167:sc= 0.503! USER MOD Single : A 59 MET CE :methyl -163:sc= -0.778 (180deg=-0.838) USER MOD Single : A 61 TYR OH : rot 160:sc= -1.42 USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.521 (180deg=-1.09) USER MOD Single : A 75 ASN : amide:sc= -3.87! C(o=-3.9!,f=-2.4!) USER MOD Single : A 78 GLN : amide:sc= 0.316 X(o=0.32,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 1 CA LEU A 20 -8.007 -34.759 8.936 1.00 0.00 C ATOM 2 C LEU A 20 -8.595 -33.562 8.147 1.00 0.00 C ATOM 3 O LEU A 20 -9.255 -33.729 7.139 1.00 0.00 O ATOM 4 CB LEU A 20 -9.151 -35.649 9.513 1.00 0.00 C ATOM 5 CG LEU A 20 -10.366 -34.834 10.045 1.00 0.00 C ATOM 6 CD1 LEU A 20 -11.474 -35.825 10.408 1.00 0.00 C ATOM 7 CD2 LEU A 20 -10.022 -34.003 11.298 1.00 0.00 C ATOM 0 HB2 LEU A 20 -9.495 -36.333 8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.752 -36.260 10.322 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.674 -34.137 9.265 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.340 -35.281 10.785 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.759 -36.392 9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.113 -36.509 11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.906 -33.455 11.625 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.691 -34.668 12.096 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.226 -33.298 11.060 1.00 0.00 H new ATOM 19 N LYS A 21 -8.308 -32.396 8.660 1.00 0.00 N ATOM 20 CA LYS A 21 -8.810 -31.097 8.116 1.00 0.00 C ATOM 21 C LYS A 21 -7.678 -30.178 7.657 1.00 0.00 C ATOM 22 O LYS A 21 -6.556 -30.221 8.130 1.00 0.00 O ATOM 23 CB LYS A 21 -9.654 -30.427 9.253 1.00 0.00 C ATOM 24 CG LYS A 21 -11.127 -30.942 9.209 1.00 0.00 C ATOM 25 CD LYS A 21 -11.940 -30.552 10.485 1.00 0.00 C ATOM 26 CE LYS A 21 -11.892 -29.055 10.844 1.00 0.00 C ATOM 27 NZ LYS A 21 -12.513 -28.853 12.208 1.00 0.00 N ATOM 0 H LYS A 21 -7.712 -32.286 9.481 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.415 -31.277 7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.212 -30.651 10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.637 -29.343 9.138 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.624 -30.535 8.328 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.125 -32.027 9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.980 -30.844 10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.562 -31.127 11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.861 -28.701 10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.429 -28.472 10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.369 -28.269 12.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.766 -29.776 12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.832 -28.375 12.832 1.00 0.00 H new ATOM 41 N THR A 22 -8.035 -29.362 6.710 1.00 0.00 N ATOM 42 CA THR A 22 -7.090 -28.308 6.237 1.00 0.00 C ATOM 43 C THR A 22 -7.859 -26.997 6.273 1.00 0.00 C ATOM 44 O THR A 22 -7.484 -26.037 5.641 1.00 0.00 O ATOM 45 CB THR A 22 -6.575 -28.577 4.786 1.00 0.00 C ATOM 46 OG1 THR A 22 -7.625 -28.734 3.851 1.00 0.00 O ATOM 47 CG2 THR A 22 -5.946 -29.951 4.689 1.00 0.00 C ATOM 0 H THR A 22 -8.940 -29.376 6.240 1.00 0.00 H new ATOM 0 HA THR A 22 -6.208 -28.291 6.877 1.00 0.00 H new ATOM 0 HB THR A 22 -5.919 -27.731 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.487 -28.668 4.313 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.594 -30.119 3.671 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.105 -30.016 5.379 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.686 -30.709 4.947 1.00 0.00 H new ATOM 55 N GLU A 23 -8.928 -27.015 7.039 1.00 0.00 N ATOM 56 CA GLU A 23 -9.810 -25.798 7.222 1.00 0.00 C ATOM 57 C GLU A 23 -10.658 -25.820 8.562 1.00 0.00 C ATOM 58 O GLU A 23 -11.008 -26.881 9.046 1.00 0.00 O ATOM 59 CB GLU A 23 -10.712 -25.728 5.939 1.00 0.00 C ATOM 60 CG GLU A 23 -11.663 -26.952 5.803 1.00 0.00 C ATOM 61 CD GLU A 23 -10.871 -28.248 5.874 1.00 0.00 C ATOM 62 OE1 GLU A 23 -10.175 -28.580 4.938 1.00 0.00 O ATOM 63 OE2 GLU A 23 -10.965 -28.884 6.897 1.00 0.00 O ATOM 0 H GLU A 23 -9.238 -27.836 7.558 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.199 -24.902 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.305 -24.814 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.076 -25.668 5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.410 -26.931 6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.202 -26.899 4.857 1.00 0.00 H new ATOM 70 N TRP A 24 -10.979 -24.665 9.129 1.00 0.00 N ATOM 71 CA TRP A 24 -11.725 -24.637 10.448 1.00 0.00 C ATOM 72 C TRP A 24 -12.942 -23.707 10.658 1.00 0.00 C ATOM 73 O TRP A 24 -12.973 -22.864 11.533 1.00 0.00 O ATOM 74 CB TRP A 24 -10.592 -24.386 11.451 1.00 0.00 C ATOM 75 CG TRP A 24 -9.901 -25.674 11.650 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.326 -26.419 12.652 1.00 0.00 C ATOM 77 CD2 TRP A 24 -8.896 -26.243 10.987 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.533 -27.475 12.584 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.647 -27.448 11.607 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.164 -25.858 9.880 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.684 -28.284 11.156 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.195 -26.707 9.431 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.950 -27.916 10.063 1.00 0.00 C ATOM 0 H TRP A 24 -10.759 -23.748 8.739 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.279 -25.570 10.549 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -9.902 -23.632 11.073 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -10.988 -24.011 12.395 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.123 -26.217 13.353 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.601 -28.254 13.239 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.353 -24.916 9.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.498 -29.226 11.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.608 -26.432 8.567 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -6.176 -28.570 9.690 1.00 0.00 H new ATOM 94 N PRO A 25 -13.952 -23.900 9.846 1.00 0.00 N ATOM 95 CA PRO A 25 -15.220 -23.095 9.873 1.00 0.00 C ATOM 96 C PRO A 25 -15.771 -22.994 11.287 1.00 0.00 C ATOM 97 O PRO A 25 -16.235 -21.977 11.755 1.00 0.00 O ATOM 98 CB PRO A 25 -16.123 -23.846 8.889 1.00 0.00 C ATOM 99 CG PRO A 25 -15.157 -24.585 7.924 1.00 0.00 C ATOM 100 CD PRO A 25 -13.965 -24.955 8.808 1.00 0.00 C ATOM 0 HA PRO A 25 -15.103 -22.052 9.580 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.772 -24.550 9.410 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.770 -23.157 8.346 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -15.624 -25.470 7.492 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.856 -23.946 7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.085 -25.946 9.246 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.035 -24.968 8.240 1.00 0.00 H new ATOM 108 N GLU A 26 -15.664 -24.103 11.937 1.00 0.00 N ATOM 109 CA GLU A 26 -16.126 -24.311 13.336 1.00 0.00 C ATOM 110 C GLU A 26 -15.673 -23.149 14.234 1.00 0.00 C ATOM 111 O GLU A 26 -16.325 -22.780 15.191 1.00 0.00 O ATOM 112 CB GLU A 26 -15.524 -25.655 13.811 1.00 0.00 C ATOM 113 CG GLU A 26 -16.069 -26.853 12.961 1.00 0.00 C ATOM 114 CD GLU A 26 -15.628 -26.797 11.505 1.00 0.00 C ATOM 115 OE1 GLU A 26 -14.437 -27.009 11.341 1.00 0.00 O ATOM 116 OE2 GLU A 26 -16.495 -26.529 10.691 1.00 0.00 O ATOM 0 H GLU A 26 -15.244 -24.938 11.528 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.214 -24.341 13.390 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.437 -25.617 13.735 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.765 -25.813 14.862 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.728 -27.790 13.403 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.158 -26.857 13.005 1.00 0.00 H new ATOM 123 N LEU A 27 -14.556 -22.600 13.864 1.00 0.00 N ATOM 124 CA LEU A 27 -13.877 -21.526 14.625 1.00 0.00 C ATOM 125 C LEU A 27 -14.419 -20.118 14.455 1.00 0.00 C ATOM 126 O LEU A 27 -14.303 -19.310 15.354 1.00 0.00 O ATOM 127 CB LEU A 27 -12.425 -21.554 14.215 1.00 0.00 C ATOM 128 CG LEU A 27 -11.747 -22.866 14.465 1.00 0.00 C ATOM 129 CD1 LEU A 27 -10.254 -22.575 14.225 1.00 0.00 C ATOM 130 CD2 LEU A 27 -12.015 -23.415 15.847 1.00 0.00 C ATOM 0 H LEU A 27 -14.060 -22.871 13.015 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.049 -21.742 15.679 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.353 -21.316 13.154 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.891 -20.772 14.754 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.125 -23.647 13.806 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.676 -23.485 14.386 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.111 -22.230 13.201 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.918 -21.804 14.918 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.497 -24.366 15.967 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.655 -22.709 16.595 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.087 -23.566 15.977 1.00 0.00 H new ATOM 142 N VAL A 28 -15.012 -19.829 13.340 1.00 0.00 N ATOM 143 CA VAL A 28 -15.475 -18.432 13.083 1.00 0.00 C ATOM 144 C VAL A 28 -16.264 -17.820 14.256 1.00 0.00 C ATOM 145 O VAL A 28 -17.087 -18.469 14.875 1.00 0.00 O ATOM 146 CB VAL A 28 -16.296 -18.507 11.810 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.707 -17.096 11.352 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.428 -19.163 10.707 1.00 0.00 C ATOM 0 H VAL A 28 -15.200 -20.494 12.590 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.624 -17.760 12.975 1.00 0.00 H new ATOM 0 HB VAL A 28 -17.197 -19.093 11.994 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.295 -17.167 10.437 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.303 -16.620 12.131 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.814 -16.500 11.163 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.001 -19.226 9.782 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.535 -18.560 10.540 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.136 -20.165 11.022 1.00 0.00 H new ATOM 158 N GLY A 29 -15.960 -16.577 14.526 1.00 0.00 N ATOM 159 CA GLY A 29 -16.632 -15.839 15.656 1.00 0.00 C ATOM 160 C GLY A 29 -16.029 -16.158 17.032 1.00 0.00 C ATOM 161 O GLY A 29 -16.426 -15.586 18.024 1.00 0.00 O ATOM 0 H GLY A 29 -15.270 -16.030 14.011 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.559 -14.767 15.475 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.693 -16.090 15.665 1.00 0.00 H new ATOM 165 N LYS A 30 -15.092 -17.065 17.076 1.00 0.00 N ATOM 166 CA LYS A 30 -14.432 -17.448 18.375 1.00 0.00 C ATOM 167 C LYS A 30 -12.953 -17.079 18.438 1.00 0.00 C ATOM 168 O LYS A 30 -12.460 -16.575 17.459 1.00 0.00 O ATOM 169 CB LYS A 30 -14.599 -18.912 18.507 1.00 0.00 C ATOM 170 CG LYS A 30 -16.107 -19.192 18.775 1.00 0.00 C ATOM 171 CD LYS A 30 -16.346 -20.702 18.737 1.00 0.00 C ATOM 172 CE LYS A 30 -16.226 -21.154 17.300 1.00 0.00 C ATOM 173 NZ LYS A 30 -17.415 -20.664 16.525 1.00 0.00 N ATOM 0 H LYS A 30 -14.745 -17.569 16.260 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.899 -16.897 19.192 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.271 -19.418 17.599 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.987 -19.295 19.324 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.398 -18.789 19.745 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.722 -18.694 18.025 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.618 -21.220 19.362 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.333 -20.942 19.132 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.307 -20.767 16.861 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.169 -22.241 17.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.583 -21.292 15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.253 -20.661 17.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.233 -19.699 16.184 1.00 0.00 H new ATOM 187 N SER A 31 -12.290 -17.339 19.536 1.00 0.00 N ATOM 188 CA SER A 31 -10.834 -16.985 19.658 1.00 0.00 C ATOM 189 C SER A 31 -9.866 -17.967 19.146 1.00 0.00 C ATOM 190 O SER A 31 -10.090 -19.108 18.776 1.00 0.00 O ATOM 191 CB SER A 31 -10.464 -16.735 21.132 1.00 0.00 C ATOM 192 OG SER A 31 -10.141 -18.038 21.628 1.00 0.00 O ATOM 0 H SER A 31 -12.693 -17.784 20.361 1.00 0.00 H new ATOM 0 HA SER A 31 -10.750 -16.100 19.027 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.619 -16.052 21.222 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.293 -16.291 21.683 1.00 0.00 H new ATOM 0 HG SER A 31 -10.913 -18.407 22.105 1.00 0.00 H new ATOM 198 N VAL A 32 -8.726 -17.365 19.196 1.00 0.00 N ATOM 199 CA VAL A 32 -7.541 -18.001 18.691 1.00 0.00 C ATOM 200 C VAL A 32 -7.056 -19.147 19.586 1.00 0.00 C ATOM 201 O VAL A 32 -6.290 -19.978 19.140 1.00 0.00 O ATOM 202 CB VAL A 32 -6.551 -16.866 18.563 1.00 0.00 C ATOM 203 CG1 VAL A 32 -5.877 -16.596 19.953 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.475 -17.163 17.487 1.00 0.00 C ATOM 0 H VAL A 32 -8.582 -16.431 19.581 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.705 -18.501 17.737 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.093 -15.976 18.243 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.164 -15.777 19.859 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.642 -16.329 20.682 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.357 -17.494 20.286 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.782 -16.324 17.424 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.928 -18.066 17.759 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.957 -17.308 16.520 1.00 0.00 H new ATOM 214 N GLU A 33 -7.510 -19.145 20.814 1.00 0.00 N ATOM 215 CA GLU A 33 -7.122 -20.201 21.790 1.00 0.00 C ATOM 216 C GLU A 33 -8.096 -21.365 21.559 1.00 0.00 C ATOM 217 O GLU A 33 -7.698 -22.511 21.398 1.00 0.00 O ATOM 218 CB GLU A 33 -7.167 -19.494 23.202 1.00 0.00 C ATOM 219 CG GLU A 33 -8.539 -19.421 23.944 1.00 0.00 C ATOM 220 CD GLU A 33 -8.788 -20.681 24.761 1.00 0.00 C ATOM 221 OE1 GLU A 33 -9.248 -21.668 24.212 1.00 0.00 O ATOM 222 OE2 GLU A 33 -8.502 -20.637 25.941 1.00 0.00 O ATOM 0 H GLU A 33 -8.146 -18.440 21.186 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.125 -20.631 21.695 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.462 -20.008 23.855 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.801 -18.475 23.077 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.556 -18.550 24.599 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.342 -19.290 23.218 1.00 0.00 H new ATOM 229 N GLU A 34 -9.351 -20.987 21.523 1.00 0.00 N ATOM 230 CA GLU A 34 -10.482 -21.944 21.256 1.00 0.00 C ATOM 231 C GLU A 34 -10.024 -22.688 19.988 1.00 0.00 C ATOM 232 O GLU A 34 -9.965 -23.906 19.906 1.00 0.00 O ATOM 233 CB GLU A 34 -11.770 -21.115 21.023 1.00 0.00 C ATOM 234 CG GLU A 34 -12.294 -20.435 22.343 1.00 0.00 C ATOM 235 CD GLU A 34 -13.252 -19.283 22.011 1.00 0.00 C ATOM 236 OE1 GLU A 34 -14.351 -19.558 21.555 1.00 0.00 O ATOM 237 OE2 GLU A 34 -12.812 -18.169 22.226 1.00 0.00 O ATOM 0 H GLU A 34 -9.651 -20.024 21.672 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.703 -22.642 22.064 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.574 -20.347 20.275 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.547 -21.763 20.618 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.804 -21.173 22.961 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.452 -20.059 22.924 1.00 0.00 H new ATOM 244 N ALA A 35 -9.692 -21.874 19.020 1.00 0.00 N ATOM 245 CA ALA A 35 -9.150 -22.408 17.766 1.00 0.00 C ATOM 246 C ALA A 35 -7.991 -23.376 17.998 1.00 0.00 C ATOM 247 O ALA A 35 -7.986 -24.407 17.376 1.00 0.00 O ATOM 248 CB ALA A 35 -8.733 -21.213 16.958 1.00 0.00 C ATOM 0 H ALA A 35 -9.779 -20.858 19.058 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.899 -22.999 17.239 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.318 -21.544 16.006 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.599 -20.577 16.775 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.978 -20.649 17.506 1.00 0.00 H new ATOM 254 N LYS A 36 -7.044 -23.102 18.858 1.00 0.00 N ATOM 255 CA LYS A 36 -5.915 -24.065 18.984 1.00 0.00 C ATOM 256 C LYS A 36 -6.471 -25.385 19.452 1.00 0.00 C ATOM 257 O LYS A 36 -6.223 -26.432 18.903 1.00 0.00 O ATOM 258 CB LYS A 36 -4.902 -23.512 19.989 1.00 0.00 C ATOM 259 CG LYS A 36 -4.195 -22.304 19.350 1.00 0.00 C ATOM 260 CD LYS A 36 -3.298 -21.636 20.418 1.00 0.00 C ATOM 261 CE LYS A 36 -2.819 -20.256 19.976 1.00 0.00 C ATOM 262 NZ LYS A 36 -2.129 -20.400 18.665 1.00 0.00 N ATOM 0 H LYS A 36 -7.003 -22.280 19.460 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.411 -24.208 18.028 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.404 -23.214 20.909 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.175 -24.279 20.256 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.595 -22.624 18.498 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.929 -21.592 18.973 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.852 -21.546 21.353 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.436 -22.273 20.618 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.662 -19.571 19.888 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.141 -19.833 20.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.663 -19.504 18.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.416 -21.155 18.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.825 -20.642 17.931 1.00 0.00 H new ATOM 276 N LYS A 37 -7.250 -25.272 20.470 1.00 0.00 N ATOM 277 CA LYS A 37 -7.835 -26.485 21.080 1.00 0.00 C ATOM 278 C LYS A 37 -8.574 -27.289 20.028 1.00 0.00 C ATOM 279 O LYS A 37 -8.340 -28.463 19.835 1.00 0.00 O ATOM 280 CB LYS A 37 -8.776 -26.067 22.160 1.00 0.00 C ATOM 281 CG LYS A 37 -7.988 -25.359 23.247 1.00 0.00 C ATOM 282 CD LYS A 37 -9.020 -24.798 24.208 1.00 0.00 C ATOM 283 CE LYS A 37 -8.317 -24.277 25.425 1.00 0.00 C ATOM 284 NZ LYS A 37 -9.263 -23.343 26.087 1.00 0.00 N ATOM 0 H LYS A 37 -7.511 -24.391 20.912 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.045 -27.109 21.498 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.543 -25.405 21.757 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.289 -26.936 22.571 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.315 -26.050 23.755 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.371 -24.564 22.828 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.586 -23.999 23.729 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.735 -25.572 24.488 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.044 -25.092 26.095 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.394 -23.766 25.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.731 -22.664 26.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.807 -22.829 25.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.915 -23.881 26.693 1.00 0.00 H new ATOM 298 N VAL A 38 -9.451 -26.610 19.351 1.00 0.00 N ATOM 299 CA VAL A 38 -10.273 -27.251 18.277 1.00 0.00 C ATOM 300 C VAL A 38 -9.395 -27.782 17.154 1.00 0.00 C ATOM 301 O VAL A 38 -9.436 -28.939 16.791 1.00 0.00 O ATOM 302 CB VAL A 38 -11.230 -26.226 17.671 1.00 0.00 C ATOM 303 CG1 VAL A 38 -11.991 -26.854 16.473 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.251 -25.713 18.679 1.00 0.00 C ATOM 0 H VAL A 38 -9.641 -25.618 19.495 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.822 -28.074 18.735 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.621 -25.383 17.344 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.671 -26.116 16.047 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.276 -27.170 15.713 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.561 -27.717 16.816 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.906 -24.988 18.196 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.845 -26.547 19.051 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.733 -25.237 19.511 1.00 0.00 H new ATOM 314 N ILE A 39 -8.601 -26.895 16.630 1.00 0.00 N ATOM 315 CA ILE A 39 -7.748 -27.241 15.472 1.00 0.00 C ATOM 316 C ILE A 39 -6.930 -28.428 15.839 1.00 0.00 C ATOM 317 O ILE A 39 -6.914 -29.383 15.113 1.00 0.00 O ATOM 318 CB ILE A 39 -6.854 -26.064 15.123 1.00 0.00 C ATOM 319 CG1 ILE A 39 -7.765 -24.995 14.534 1.00 0.00 C ATOM 320 CG2 ILE A 39 -5.921 -26.476 14.002 1.00 0.00 C ATOM 321 CD1 ILE A 39 -6.916 -23.814 14.072 1.00 0.00 C ATOM 0 H ILE A 39 -8.508 -25.935 16.961 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.361 -27.471 14.600 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.297 -25.728 15.997 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.330 -25.403 13.696 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.491 -24.668 15.278 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.273 -25.639 13.742 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.312 -27.319 14.327 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.506 -26.767 13.130 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.562 -23.045 13.649 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.371 -23.403 14.922 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.208 -24.149 13.315 1.00 0.00 H new ATOM 333 N LEU A 40 -6.271 -28.378 16.948 1.00 0.00 N ATOM 334 CA LEU A 40 -5.468 -29.535 17.369 1.00 0.00 C ATOM 335 C LEU A 40 -6.393 -30.764 17.457 1.00 0.00 C ATOM 336 O LEU A 40 -5.943 -31.854 17.189 1.00 0.00 O ATOM 337 CB LEU A 40 -4.852 -29.119 18.688 1.00 0.00 C ATOM 338 CG LEU A 40 -3.890 -27.912 18.494 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.359 -27.515 19.856 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.693 -28.257 17.649 1.00 0.00 C ATOM 0 H LEU A 40 -6.255 -27.580 17.583 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.673 -29.819 16.679 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.639 -28.853 19.394 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.307 -29.958 19.120 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.453 -27.119 18.001 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.680 -26.669 19.749 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.190 -27.234 20.503 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.824 -28.356 20.297 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.055 -27.379 17.546 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.131 -29.060 18.125 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.025 -28.582 16.663 1.00 0.00 H new ATOM 352 N GLN A 41 -7.643 -30.613 17.823 1.00 0.00 N ATOM 353 CA GLN A 41 -8.531 -31.842 17.800 1.00 0.00 C ATOM 354 C GLN A 41 -8.598 -32.424 16.368 1.00 0.00 C ATOM 355 O GLN A 41 -8.514 -33.617 16.153 1.00 0.00 O ATOM 356 CB GLN A 41 -9.977 -31.498 18.266 1.00 0.00 C ATOM 357 CG GLN A 41 -10.006 -31.194 19.787 1.00 0.00 C ATOM 358 CD GLN A 41 -11.388 -30.743 20.283 1.00 0.00 C ATOM 359 OE1 GLN A 41 -11.718 -30.857 21.444 1.00 0.00 O ATOM 360 NE2 GLN A 41 -12.274 -30.222 19.497 1.00 0.00 N ATOM 0 H GLN A 41 -8.081 -29.742 18.124 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.100 -32.574 18.483 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.348 -30.636 17.711 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.644 -32.331 18.044 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.702 -32.085 20.336 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.275 -30.417 20.011 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.066 -30.095 18.507 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.181 -29.938 19.868 1.00 0.00 H new ATOM 369 N ASP A 42 -8.750 -31.536 15.440 1.00 0.00 N ATOM 370 CA ASP A 42 -8.831 -31.874 13.977 1.00 0.00 C ATOM 371 C ASP A 42 -7.495 -32.315 13.291 1.00 0.00 C ATOM 372 O ASP A 42 -7.387 -33.349 12.654 1.00 0.00 O ATOM 373 CB ASP A 42 -9.377 -30.629 13.287 1.00 0.00 C ATOM 374 CG ASP A 42 -10.739 -30.223 13.800 1.00 0.00 C ATOM 375 OD1 ASP A 42 -11.683 -30.979 13.676 1.00 0.00 O ATOM 376 OD2 ASP A 42 -10.764 -29.110 14.282 1.00 0.00 O ATOM 0 H ASP A 42 -8.826 -30.537 15.633 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.467 -32.754 13.882 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.679 -29.804 13.431 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.438 -30.811 12.214 1.00 0.00 H new ATOM 381 N LYS A 43 -6.536 -31.458 13.480 1.00 0.00 N ATOM 382 CA LYS A 43 -5.163 -31.519 12.914 1.00 0.00 C ATOM 383 C LYS A 43 -4.139 -31.535 14.101 1.00 0.00 C ATOM 384 O LYS A 43 -3.260 -30.697 14.214 1.00 0.00 O ATOM 385 CB LYS A 43 -5.127 -30.269 11.989 1.00 0.00 C ATOM 386 CG LYS A 43 -3.770 -29.977 11.355 1.00 0.00 C ATOM 387 CD LYS A 43 -3.356 -31.036 10.290 1.00 0.00 C ATOM 388 CE LYS A 43 -1.982 -30.643 9.701 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.036 -30.450 10.845 1.00 0.00 N ATOM 0 H LYS A 43 -6.670 -30.634 14.066 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.900 -32.406 12.337 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.862 -30.402 11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.436 -29.398 12.567 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.797 -28.992 10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.011 -29.939 12.136 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.303 -32.026 10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.104 -31.088 9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.617 -31.420 9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.065 -29.728 9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.093 -30.798 10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.978 -29.439 11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.379 -30.979 11.672 1.00 0.00 H new ATOM 403 N PRO A 44 -4.284 -32.509 14.975 1.00 0.00 N ATOM 404 CA PRO A 44 -3.426 -32.720 16.179 1.00 0.00 C ATOM 405 C PRO A 44 -2.109 -31.955 16.336 1.00 0.00 C ATOM 406 O PRO A 44 -1.960 -31.138 17.220 1.00 0.00 O ATOM 407 CB PRO A 44 -3.275 -34.241 16.167 1.00 0.00 C ATOM 408 CG PRO A 44 -4.666 -34.762 15.681 1.00 0.00 C ATOM 409 CD PRO A 44 -5.315 -33.588 14.905 1.00 0.00 C ATOM 0 HA PRO A 44 -3.901 -32.283 17.057 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.475 -34.556 15.497 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.030 -34.625 17.158 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.553 -35.637 15.041 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.287 -35.062 16.525 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.538 -33.863 13.874 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.254 -33.276 15.362 1.00 0.00 H new ATOM 417 N GLU A 45 -1.159 -32.206 15.486 1.00 0.00 N ATOM 418 CA GLU A 45 0.159 -31.549 15.610 1.00 0.00 C ATOM 419 C GLU A 45 0.366 -30.150 14.972 1.00 0.00 C ATOM 420 O GLU A 45 1.481 -29.770 14.663 1.00 0.00 O ATOM 421 CB GLU A 45 1.106 -32.651 15.082 1.00 0.00 C ATOM 422 CG GLU A 45 0.637 -33.388 13.762 1.00 0.00 C ATOM 423 CD GLU A 45 0.073 -32.466 12.698 1.00 0.00 C ATOM 424 OE1 GLU A 45 0.768 -31.553 12.305 1.00 0.00 O ATOM 425 OE2 GLU A 45 -1.053 -32.688 12.287 1.00 0.00 O ATOM 0 H GLU A 45 -1.245 -32.849 14.699 1.00 0.00 H new ATOM 0 HA GLU A 45 0.338 -31.235 16.638 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.084 -32.206 14.899 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.237 -33.397 15.865 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.484 -33.932 13.343 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.119 -34.128 14.023 1.00 0.00 H new ATOM 432 N ALA A 46 -0.690 -29.403 14.800 1.00 0.00 N ATOM 433 CA ALA A 46 -0.527 -28.017 14.262 1.00 0.00 C ATOM 434 C ALA A 46 0.138 -27.064 15.331 1.00 0.00 C ATOM 435 O ALA A 46 -0.331 -26.900 16.438 1.00 0.00 O ATOM 436 CB ALA A 46 -1.968 -27.557 13.824 1.00 0.00 C ATOM 0 H ALA A 46 -1.649 -29.685 15.005 1.00 0.00 H new ATOM 0 HA ALA A 46 0.151 -27.982 13.409 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.920 -26.546 13.419 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.350 -28.235 13.061 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.633 -27.571 14.688 1.00 0.00 H new ATOM 442 N GLN A 47 1.225 -26.428 14.983 1.00 0.00 N ATOM 443 CA GLN A 47 1.952 -25.501 15.926 1.00 0.00 C ATOM 444 C GLN A 47 1.331 -24.115 15.635 1.00 0.00 C ATOM 445 O GLN A 47 1.938 -23.189 15.135 1.00 0.00 O ATOM 446 CB GLN A 47 3.461 -25.538 15.572 1.00 0.00 C ATOM 447 CG GLN A 47 3.958 -26.997 15.276 1.00 0.00 C ATOM 448 CD GLN A 47 3.938 -27.844 16.539 1.00 0.00 C ATOM 449 OE1 GLN A 47 4.495 -27.493 17.553 1.00 0.00 O ATOM 450 NE2 GLN A 47 3.323 -28.976 16.561 1.00 0.00 N ATOM 0 H GLN A 47 1.657 -26.509 14.063 1.00 0.00 H new ATOM 0 HA GLN A 47 1.861 -25.762 16.980 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.645 -24.908 14.701 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.038 -25.119 16.396 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.324 -27.454 14.517 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.969 -26.966 14.870 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.840 -29.310 15.727 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.319 -29.538 17.412 1.00 0.00 H new ATOM 459 N ILE A 48 0.088 -23.993 15.991 1.00 0.00 N ATOM 460 CA ILE A 48 -0.641 -22.736 15.611 1.00 0.00 C ATOM 461 C ILE A 48 -0.307 -21.431 16.329 1.00 0.00 C ATOM 462 O ILE A 48 -0.211 -21.329 17.533 1.00 0.00 O ATOM 463 CB ILE A 48 -2.094 -23.033 15.773 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.413 -24.200 14.821 1.00 0.00 C ATOM 465 CG2 ILE A 48 -2.960 -21.772 15.431 1.00 0.00 C ATOM 466 CD1 ILE A 48 -3.543 -25.033 15.340 1.00 0.00 C ATOM 0 H ILE A 48 -0.452 -24.682 16.514 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.312 -22.515 14.596 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.328 -23.301 16.803 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.669 -23.809 13.836 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.527 -24.823 14.696 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.016 -22.011 15.556 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.692 -20.954 16.100 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.775 -21.473 14.399 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.743 -25.848 14.645 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.275 -25.444 16.313 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.435 -24.414 15.440 1.00 0.00 H new ATOM 478 N ILE A 49 -0.165 -20.420 15.523 1.00 0.00 N ATOM 479 CA ILE A 49 0.158 -19.054 16.042 1.00 0.00 C ATOM 480 C ILE A 49 -1.084 -18.136 16.036 1.00 0.00 C ATOM 481 O ILE A 49 -2.158 -18.487 15.592 1.00 0.00 O ATOM 482 CB ILE A 49 1.272 -18.492 15.159 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.491 -19.428 15.028 1.00 0.00 C ATOM 484 CG2 ILE A 49 1.725 -17.045 15.517 1.00 0.00 C ATOM 485 CD1 ILE A 49 3.161 -19.710 16.374 1.00 0.00 C ATOM 0 H ILE A 49 -0.260 -20.478 14.509 1.00 0.00 H new ATOM 0 HA ILE A 49 0.484 -19.109 17.081 1.00 0.00 H new ATOM 0 HB ILE A 49 0.795 -18.430 14.181 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.175 -20.370 14.579 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.218 -18.980 14.351 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.518 -16.733 14.837 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.878 -16.365 15.423 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.096 -17.023 16.542 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.013 -20.374 16.225 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.504 -18.773 16.813 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.445 -20.185 17.045 1.00 0.00 H new ATOM 497 N VAL A 50 -0.894 -16.975 16.562 1.00 0.00 N ATOM 498 CA VAL A 50 -1.878 -15.858 16.624 1.00 0.00 C ATOM 499 C VAL A 50 -1.514 -14.716 15.618 1.00 0.00 C ATOM 500 O VAL A 50 -0.457 -14.126 15.713 1.00 0.00 O ATOM 501 CB VAL A 50 -1.864 -15.421 18.103 1.00 0.00 C ATOM 502 CG1 VAL A 50 -0.436 -15.092 18.614 1.00 0.00 C ATOM 503 CG2 VAL A 50 -2.750 -14.187 18.315 1.00 0.00 C ATOM 0 H VAL A 50 -0.005 -16.727 16.997 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.882 -16.151 16.318 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.249 -16.268 18.671 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.485 -14.790 19.660 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.196 -15.975 18.520 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.016 -14.280 18.021 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.725 -13.897 19.365 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.381 -13.364 17.702 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.775 -14.421 18.028 1.00 0.00 H new ATOM 513 N LEU A 51 -2.380 -14.443 14.664 1.00 0.00 N ATOM 514 CA LEU A 51 -2.103 -13.316 13.701 1.00 0.00 C ATOM 515 C LEU A 51 -3.398 -12.461 13.473 1.00 0.00 C ATOM 516 O LEU A 51 -4.379 -13.028 13.026 1.00 0.00 O ATOM 517 CB LEU A 51 -1.606 -13.893 12.331 1.00 0.00 C ATOM 518 CG LEU A 51 -0.078 -14.206 12.270 1.00 0.00 C ATOM 519 CD1 LEU A 51 0.270 -15.119 11.064 1.00 0.00 C ATOM 520 CD2 LEU A 51 0.672 -12.921 11.907 1.00 0.00 C ATOM 0 H LEU A 51 -3.256 -14.943 14.510 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.329 -12.678 14.127 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.159 -14.807 12.115 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.849 -13.180 11.543 1.00 0.00 H new ATOM 0 HG LEU A 51 0.183 -14.651 13.230 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.342 -15.316 11.054 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.271 -16.061 11.153 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.017 -14.622 10.137 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.742 -13.125 11.861 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.329 -12.561 10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.480 -12.161 12.665 1.00 0.00 H new ATOM 532 N PRO A 52 -3.413 -11.173 13.786 1.00 0.00 N ATOM 533 CA PRO A 52 -4.594 -10.264 13.526 1.00 0.00 C ATOM 534 C PRO A 52 -4.755 -10.005 12.003 1.00 0.00 C ATOM 535 O PRO A 52 -3.764 -9.801 11.343 1.00 0.00 O ATOM 536 CB PRO A 52 -4.263 -8.984 14.318 1.00 0.00 C ATOM 537 CG PRO A 52 -3.172 -9.456 15.323 1.00 0.00 C ATOM 538 CD PRO A 52 -2.322 -10.417 14.471 1.00 0.00 C ATOM 0 HA PRO A 52 -5.547 -10.688 13.841 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.894 -8.192 13.666 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.140 -8.591 14.832 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.582 -8.621 15.702 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.607 -9.958 16.187 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.673 -9.892 13.770 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.684 -11.060 15.077 1.00 0.00 H new ATOM 546 N VAL A 53 -5.952 -10.006 11.466 1.00 0.00 N ATOM 547 CA VAL A 53 -6.182 -9.799 9.992 1.00 0.00 C ATOM 548 C VAL A 53 -5.368 -8.727 9.322 1.00 0.00 C ATOM 549 O VAL A 53 -5.262 -7.595 9.766 1.00 0.00 O ATOM 550 CB VAL A 53 -7.673 -9.578 9.795 1.00 0.00 C ATOM 551 CG1 VAL A 53 -8.014 -8.990 8.393 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.262 -11.012 9.802 1.00 0.00 C ATOM 0 H VAL A 53 -6.808 -10.146 12.002 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.825 -10.698 9.489 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.051 -8.892 10.553 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.092 -8.853 8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.515 -8.028 8.271 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.673 -9.677 7.618 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.342 -10.962 9.665 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.820 -11.591 8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.038 -11.493 10.754 1.00 0.00 H new ATOM 562 N GLY A 54 -4.849 -9.231 8.231 1.00 0.00 N ATOM 563 CA GLY A 54 -3.866 -8.478 7.368 1.00 0.00 C ATOM 564 C GLY A 54 -2.716 -9.458 7.535 1.00 0.00 C ATOM 565 O GLY A 54 -2.017 -9.436 8.529 1.00 0.00 O ATOM 0 H GLY A 54 -5.070 -10.165 7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.194 -8.367 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.641 -7.478 7.740 1.00 0.00 H new ATOM 569 N THR A 55 -2.534 -10.310 6.570 1.00 0.00 N ATOM 570 CA THR A 55 -1.562 -11.404 6.742 1.00 0.00 C ATOM 571 C THR A 55 -0.094 -10.952 6.803 1.00 0.00 C ATOM 572 O THR A 55 0.437 -10.436 5.843 1.00 0.00 O ATOM 573 CB THR A 55 -1.560 -12.356 5.607 1.00 0.00 C ATOM 574 OG1 THR A 55 -2.288 -11.785 4.522 1.00 0.00 O ATOM 575 CG2 THR A 55 -2.560 -13.493 5.722 1.00 0.00 C ATOM 0 H THR A 55 -3.019 -10.291 5.673 1.00 0.00 H new ATOM 0 HA THR A 55 -1.893 -11.843 7.683 1.00 0.00 H new ATOM 0 HB THR A 55 -0.505 -12.621 5.534 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.158 -12.330 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.483 -14.135 4.845 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.347 -14.076 6.618 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.569 -13.085 5.785 1.00 0.00 H new ATOM 583 N ILE A 56 0.525 -11.177 7.924 1.00 0.00 N ATOM 584 CA ILE A 56 2.004 -10.900 8.032 1.00 0.00 C ATOM 585 C ILE A 56 2.849 -12.109 7.472 1.00 0.00 C ATOM 586 O ILE A 56 4.064 -12.171 7.421 1.00 0.00 O ATOM 587 CB ILE A 56 2.222 -10.604 9.532 1.00 0.00 C ATOM 588 CG1 ILE A 56 2.046 -9.102 9.891 1.00 0.00 C ATOM 589 CG2 ILE A 56 3.487 -11.248 10.060 1.00 0.00 C ATOM 590 CD1 ILE A 56 3.009 -8.171 9.107 1.00 0.00 C ATOM 0 H ILE A 56 0.086 -11.538 8.771 1.00 0.00 H new ATOM 0 HA ILE A 56 2.341 -10.058 7.427 1.00 0.00 H new ATOM 0 HB ILE A 56 1.413 -11.091 10.077 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.017 -8.804 9.688 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.211 -8.968 10.960 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.600 -11.014 11.118 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.426 -12.329 9.932 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.347 -10.866 9.510 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.836 -7.136 9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.041 -8.444 9.329 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.828 -8.278 8.037 1.00 0.00 H new ATOM 602 N VAL A 57 2.037 -13.027 7.070 1.00 0.00 N ATOM 603 CA VAL A 57 2.362 -14.346 6.426 1.00 0.00 C ATOM 604 C VAL A 57 1.937 -14.374 4.939 1.00 0.00 C ATOM 605 O VAL A 57 1.489 -13.420 4.336 1.00 0.00 O ATOM 606 CB VAL A 57 1.614 -15.520 7.159 1.00 0.00 C ATOM 607 CG1 VAL A 57 2.016 -15.514 8.618 1.00 0.00 C ATOM 608 CG2 VAL A 57 0.058 -15.374 6.938 1.00 0.00 C ATOM 0 H VAL A 57 1.029 -12.906 7.173 1.00 0.00 H new ATOM 0 HA VAL A 57 3.442 -14.472 6.501 1.00 0.00 H new ATOM 0 HB VAL A 57 1.895 -16.489 6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.505 -16.323 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.094 -15.654 8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.739 -14.561 9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.460 -16.188 7.446 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.279 -14.420 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.163 -15.413 5.871 1.00 0.00 H new ATOM 618 N THR A 58 2.097 -15.547 4.406 1.00 0.00 N ATOM 619 CA THR A 58 1.847 -15.938 3.022 1.00 0.00 C ATOM 620 C THR A 58 0.417 -16.387 2.655 1.00 0.00 C ATOM 621 O THR A 58 -0.478 -16.396 3.482 1.00 0.00 O ATOM 622 CB THR A 58 2.892 -17.001 2.833 1.00 0.00 C ATOM 623 OG1 THR A 58 2.992 -17.789 4.017 1.00 0.00 O ATOM 624 CG2 THR A 58 4.268 -16.436 2.667 1.00 0.00 C ATOM 0 H THR A 58 2.434 -16.333 4.962 1.00 0.00 H new ATOM 0 HA THR A 58 1.917 -15.089 2.342 1.00 0.00 H new ATOM 0 HB THR A 58 2.584 -17.558 1.948 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.504 -18.603 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.982 -17.249 2.534 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.291 -15.786 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.534 -15.861 3.554 1.00 0.00 H new ATOM 632 N MET A 59 0.290 -16.749 1.400 1.00 0.00 N ATOM 633 CA MET A 59 -0.998 -17.231 0.767 1.00 0.00 C ATOM 634 C MET A 59 -1.228 -18.762 0.815 1.00 0.00 C ATOM 635 O MET A 59 -2.300 -19.322 0.999 1.00 0.00 O ATOM 636 CB MET A 59 -0.971 -16.709 -0.706 1.00 0.00 C ATOM 637 CG MET A 59 -2.276 -17.023 -1.475 1.00 0.00 C ATOM 638 SD MET A 59 -3.717 -15.993 -1.104 1.00 0.00 S ATOM 639 CE MET A 59 -4.493 -17.021 0.168 1.00 0.00 C ATOM 0 H MET A 59 1.072 -16.730 0.745 1.00 0.00 H new ATOM 0 HA MET A 59 -1.837 -16.839 1.342 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.807 -15.631 -0.702 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.128 -17.158 -1.231 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.068 -16.943 -2.542 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.543 -18.062 -1.280 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.530 -16.713 0.302 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.462 -18.066 -0.140 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.955 -16.904 1.109 1.00 0.00 H new ATOM 649 N GLU A 60 -0.071 -19.279 0.620 1.00 0.00 N ATOM 650 CA GLU A 60 0.378 -20.699 0.521 1.00 0.00 C ATOM 651 C GLU A 60 -0.076 -21.662 1.636 1.00 0.00 C ATOM 652 O GLU A 60 -1.009 -21.382 2.353 1.00 0.00 O ATOM 653 CB GLU A 60 1.898 -20.621 0.437 1.00 0.00 C ATOM 654 CG GLU A 60 2.468 -20.426 1.882 1.00 0.00 C ATOM 655 CD GLU A 60 3.994 -20.531 1.985 1.00 0.00 C ATOM 656 OE1 GLU A 60 4.558 -21.316 1.249 1.00 0.00 O ATOM 657 OE2 GLU A 60 4.465 -19.795 2.837 1.00 0.00 O ATOM 0 H GLU A 60 0.730 -18.658 0.504 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.099 -21.147 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.300 -21.531 -0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.200 -19.792 -0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.158 -19.449 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.020 -21.172 2.539 1.00 0.00 H new ATOM 664 N TYR A 61 0.641 -22.760 1.735 1.00 0.00 N ATOM 665 CA TYR A 61 0.382 -23.861 2.707 1.00 0.00 C ATOM 666 C TYR A 61 1.502 -24.034 3.745 1.00 0.00 C ATOM 667 O TYR A 61 2.247 -25.002 3.722 1.00 0.00 O ATOM 668 CB TYR A 61 0.230 -25.137 1.925 1.00 0.00 C ATOM 669 CG TYR A 61 -0.205 -26.292 2.823 1.00 0.00 C ATOM 670 CD1 TYR A 61 -1.449 -26.224 3.369 1.00 0.00 C ATOM 671 CD2 TYR A 61 0.578 -27.401 3.046 1.00 0.00 C ATOM 672 CE1 TYR A 61 -1.946 -27.250 4.125 1.00 0.00 C ATOM 673 CE2 TYR A 61 0.080 -28.454 3.817 1.00 0.00 C ATOM 674 CZ TYR A 61 -1.197 -28.363 4.350 1.00 0.00 C ATOM 675 OH TYR A 61 -1.767 -29.365 5.100 1.00 0.00 O ATOM 0 H TYR A 61 1.447 -22.940 1.137 1.00 0.00 H new ATOM 0 HA TYR A 61 -0.520 -23.611 3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.504 -24.994 1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.176 -25.385 1.443 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.054 -25.345 3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.572 -27.457 2.627 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.938 -27.176 4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.684 -29.331 3.996 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.296 -30.208 4.932 1.00 0.00 H new ATOM 685 N ARG A 62 1.606 -23.094 4.649 1.00 0.00 N ATOM 686 CA ARG A 62 2.691 -23.256 5.679 1.00 0.00 C ATOM 687 C ARG A 62 2.156 -24.071 6.868 1.00 0.00 C ATOM 688 O ARG A 62 1.987 -23.673 8.006 1.00 0.00 O ATOM 689 CB ARG A 62 3.266 -21.833 6.154 1.00 0.00 C ATOM 690 CG ARG A 62 2.559 -20.718 5.459 1.00 0.00 C ATOM 691 CD ARG A 62 1.196 -20.737 6.060 1.00 0.00 C ATOM 692 NE ARG A 62 0.231 -20.241 5.032 1.00 0.00 N ATOM 693 CZ ARG A 62 -0.103 -19.011 4.988 1.00 0.00 C ATOM 694 NH1 ARG A 62 0.785 -18.116 5.052 1.00 0.00 N ATOM 695 NH2 ARG A 62 -1.339 -18.770 4.880 1.00 0.00 N ATOM 0 H ARG A 62 1.023 -22.260 4.725 1.00 0.00 H new ATOM 0 HA ARG A 62 3.523 -23.798 5.229 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.147 -21.729 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.334 -21.779 5.945 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.057 -19.763 5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.524 -20.876 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.932 -21.747 6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.163 -20.107 6.949 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.166 -20.895 4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.767 -18.377 5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.520 -17.132 5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.007 -19.540 4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.669 -17.806 4.840 1.00 0.00 H new ATOM 709 N ILE A 63 1.908 -25.272 6.449 1.00 0.00 N ATOM 710 CA ILE A 63 1.356 -26.405 7.249 1.00 0.00 C ATOM 711 C ILE A 63 1.775 -26.779 8.646 1.00 0.00 C ATOM 712 O ILE A 63 0.965 -27.287 9.399 1.00 0.00 O ATOM 713 CB ILE A 63 1.479 -27.600 6.317 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.865 -28.913 6.928 1.00 0.00 C ATOM 715 CG2 ILE A 63 2.955 -27.775 5.851 1.00 0.00 C ATOM 716 CD1 ILE A 63 1.927 -29.947 7.270 1.00 0.00 C ATOM 0 H ILE A 63 2.085 -25.541 5.481 1.00 0.00 H new ATOM 0 HA ILE A 63 0.375 -26.034 7.546 1.00 0.00 H new ATOM 0 HB ILE A 63 0.878 -27.397 5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.303 -28.663 7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.158 -29.344 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.027 -28.635 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.279 -26.878 5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.594 -27.935 6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.450 -30.834 7.688 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.473 -30.220 6.367 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.620 -29.529 8.000 1.00 0.00 H new ATOM 728 N ASP A 64 2.998 -26.552 8.981 1.00 0.00 N ATOM 729 CA ASP A 64 3.472 -26.807 10.371 1.00 0.00 C ATOM 730 C ASP A 64 2.551 -26.012 11.350 1.00 0.00 C ATOM 731 O ASP A 64 2.448 -26.271 12.528 1.00 0.00 O ATOM 732 CB ASP A 64 4.986 -26.354 10.384 1.00 0.00 C ATOM 733 CG ASP A 64 5.220 -24.962 9.808 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.919 -24.789 8.636 1.00 0.00 O ATOM 735 OD2 ASP A 64 5.684 -24.094 10.536 1.00 0.00 O ATOM 0 H ASP A 64 3.711 -26.194 8.346 1.00 0.00 H new ATOM 0 HA ASP A 64 3.418 -27.848 10.691 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.353 -26.378 11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.575 -27.075 9.817 1.00 0.00 H new ATOM 740 N ARG A 65 1.865 -25.059 10.796 1.00 0.00 N ATOM 741 CA ARG A 65 1.013 -24.090 11.561 1.00 0.00 C ATOM 742 C ARG A 65 -0.401 -23.767 11.017 1.00 0.00 C ATOM 743 O ARG A 65 -0.451 -23.017 10.064 1.00 0.00 O ATOM 744 CB ARG A 65 1.922 -22.926 11.599 1.00 0.00 C ATOM 745 CG ARG A 65 1.390 -21.555 12.084 1.00 0.00 C ATOM 746 CD ARG A 65 2.554 -20.518 11.903 1.00 0.00 C ATOM 747 NE ARG A 65 3.135 -20.630 10.504 1.00 0.00 N ATOM 748 CZ ARG A 65 4.053 -21.494 10.267 1.00 0.00 C ATOM 749 NH1 ARG A 65 5.151 -21.438 10.886 1.00 0.00 N ATOM 750 NH2 ARG A 65 3.858 -22.410 9.421 1.00 0.00 N ATOM 0 H ARG A 65 1.856 -24.898 9.789 1.00 0.00 H new ATOM 0 HA ARG A 65 0.701 -24.494 12.524 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.766 -23.192 12.236 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.314 -22.786 10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.515 -21.256 11.508 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.081 -21.609 13.128 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.182 -19.508 12.071 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.332 -20.699 12.645 1.00 0.00 H new ATOM 0 HE ARG A 65 2.797 -20.022 9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.310 -20.705 11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.879 -22.126 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.969 -22.464 8.924 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.589 -23.096 9.234 1.00 0.00 H new ATOM 764 N VAL A 66 -1.512 -24.251 11.542 1.00 0.00 N ATOM 765 CA VAL A 66 -2.785 -23.772 10.906 1.00 0.00 C ATOM 766 C VAL A 66 -2.776 -22.236 11.145 1.00 0.00 C ATOM 767 O VAL A 66 -2.448 -21.769 12.228 1.00 0.00 O ATOM 768 CB VAL A 66 -4.040 -24.384 11.582 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.285 -24.060 10.774 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.201 -25.877 11.474 1.00 0.00 C ATOM 0 H VAL A 66 -1.593 -24.905 12.321 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.831 -24.057 9.855 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.925 -24.008 12.599 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.158 -24.496 11.260 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.407 -22.979 10.711 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.185 -24.473 9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.114 -26.182 11.985 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.261 -26.161 10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.345 -26.370 11.935 1.00 0.00 H new ATOM 780 N ARG A 67 -3.118 -21.469 10.153 1.00 0.00 N ATOM 781 CA ARG A 67 -3.087 -20.009 10.390 1.00 0.00 C ATOM 782 C ARG A 67 -4.445 -19.451 10.757 1.00 0.00 C ATOM 783 O ARG A 67 -5.455 -19.758 10.162 1.00 0.00 O ATOM 784 CB ARG A 67 -2.514 -19.311 9.143 1.00 0.00 C ATOM 785 CG ARG A 67 -2.790 -17.802 9.234 1.00 0.00 C ATOM 786 CD ARG A 67 -2.257 -17.046 10.500 1.00 0.00 C ATOM 787 NE ARG A 67 -1.431 -17.914 11.428 1.00 0.00 N ATOM 788 CZ ARG A 67 -1.694 -18.042 12.685 1.00 0.00 C ATOM 789 NH1 ARG A 67 -2.047 -17.060 13.413 1.00 0.00 N ATOM 790 NH2 ARG A 67 -1.608 -19.216 13.171 1.00 0.00 N ATOM 0 H ARG A 67 -3.407 -21.775 9.224 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.443 -19.815 11.248 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.442 -19.493 9.071 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.968 -19.722 8.241 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.360 -17.327 8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.869 -17.653 9.182 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.653 -16.198 10.178 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.104 -16.642 11.054 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.633 -18.419 11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.131 -16.128 13.007 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.246 -17.205 14.403 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.342 -19.998 12.572 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.805 -19.375 14.159 1.00 0.00 H new ATOM 804 N LEU A 68 -4.398 -18.631 11.758 1.00 0.00 N ATOM 805 CA LEU A 68 -5.586 -17.967 12.306 1.00 0.00 C ATOM 806 C LEU A 68 -5.521 -16.455 12.108 1.00 0.00 C ATOM 807 O LEU A 68 -5.095 -15.751 13.006 1.00 0.00 O ATOM 808 CB LEU A 68 -5.687 -18.292 13.816 1.00 0.00 C ATOM 809 CG LEU A 68 -6.079 -19.747 14.093 1.00 0.00 C ATOM 810 CD1 LEU A 68 -5.882 -19.960 15.586 1.00 0.00 C ATOM 811 CD2 LEU A 68 -7.578 -19.940 13.776 1.00 0.00 C ATOM 0 H LEU A 68 -3.533 -18.386 12.239 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.466 -18.334 11.778 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.728 -18.084 14.291 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.421 -17.630 14.276 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.488 -20.438 13.492 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.147 -20.985 15.845 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.839 -19.778 15.845 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.519 -19.270 16.139 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.861 -20.974 13.972 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.171 -19.276 14.405 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.761 -19.706 12.727 1.00 0.00 H new ATOM 823 N PHE A 69 -5.873 -16.012 10.930 1.00 0.00 N ATOM 824 CA PHE A 69 -6.102 -14.560 10.791 1.00 0.00 C ATOM 825 C PHE A 69 -7.454 -14.290 11.502 1.00 0.00 C ATOM 826 O PHE A 69 -8.572 -14.541 11.069 1.00 0.00 O ATOM 827 CB PHE A 69 -6.045 -14.214 9.219 1.00 0.00 C ATOM 828 CG PHE A 69 -4.597 -13.925 9.178 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.290 -12.734 9.749 1.00 0.00 C ATOM 830 CD2 PHE A 69 -3.619 -14.748 8.719 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.010 -12.349 9.876 1.00 0.00 C ATOM 832 CE2 PHE A 69 -2.356 -14.359 8.856 1.00 0.00 C ATOM 833 CZ PHE A 69 -2.013 -13.173 9.425 1.00 0.00 C ATOM 0 H PHE A 69 -6.006 -16.575 10.090 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.358 -13.911 11.253 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.340 -15.047 8.580 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.666 -13.363 8.939 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.081 -12.090 10.104 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.861 -15.693 8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.769 -11.399 10.329 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.571 -15.011 8.501 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.976 -12.886 9.519 1.00 0.00 H new ATOM 843 N VAL A 70 -7.186 -13.757 12.667 1.00 0.00 N ATOM 844 CA VAL A 70 -8.276 -13.415 13.666 1.00 0.00 C ATOM 845 C VAL A 70 -8.510 -11.908 13.547 1.00 0.00 C ATOM 846 O VAL A 70 -7.696 -11.253 12.940 1.00 0.00 O ATOM 847 CB VAL A 70 -7.840 -13.730 15.134 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.386 -15.167 15.337 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.694 -12.848 15.649 1.00 0.00 C ATOM 0 H VAL A 70 -6.243 -13.536 12.985 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.167 -14.005 13.452 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.753 -13.529 15.694 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.098 -15.314 16.378 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.202 -15.845 15.087 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.532 -15.373 14.692 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.451 -13.129 16.674 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.817 -12.986 15.017 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.000 -11.802 15.622 1.00 0.00 H new ATOM 859 N ASP A 71 -9.524 -11.299 14.079 1.00 0.00 N ATOM 860 CA ASP A 71 -9.643 -9.838 13.821 1.00 0.00 C ATOM 861 C ASP A 71 -8.954 -9.001 14.891 1.00 0.00 C ATOM 862 O ASP A 71 -7.889 -9.292 15.406 1.00 0.00 O ATOM 863 CB ASP A 71 -11.151 -9.515 13.718 1.00 0.00 C ATOM 864 CG ASP A 71 -11.781 -9.419 15.080 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.620 -10.373 15.810 1.00 0.00 O ATOM 866 OD2 ASP A 71 -12.354 -8.362 15.272 1.00 0.00 O ATOM 0 H ASP A 71 -10.249 -11.723 14.658 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.134 -9.582 12.892 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.289 -8.575 13.184 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.652 -10.289 13.136 1.00 0.00 H new ATOM 871 N LYS A 72 -9.638 -7.943 15.163 1.00 0.00 N ATOM 872 CA LYS A 72 -9.166 -6.967 16.173 1.00 0.00 C ATOM 873 C LYS A 72 -9.670 -7.212 17.585 1.00 0.00 C ATOM 874 O LYS A 72 -9.442 -6.452 18.501 1.00 0.00 O ATOM 875 CB LYS A 72 -9.550 -5.583 15.638 1.00 0.00 C ATOM 876 CG LYS A 72 -8.485 -5.029 14.624 1.00 0.00 C ATOM 877 CD LYS A 72 -7.999 -6.096 13.596 1.00 0.00 C ATOM 878 CE LYS A 72 -7.245 -5.456 12.426 1.00 0.00 C ATOM 879 NZ LYS A 72 -6.771 -6.583 11.550 1.00 0.00 N ATOM 0 H LYS A 72 -10.525 -7.703 14.721 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.087 -7.066 16.294 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.522 -5.640 15.148 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.654 -4.888 16.471 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.912 -4.183 14.085 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.626 -4.652 15.179 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.350 -6.815 14.097 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.856 -6.651 13.216 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.895 -4.780 11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.403 -4.864 12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.013 -6.242 10.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.409 -7.356 12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.563 -6.932 10.974 1.00 0.00 H new ATOM 893 N LEU A 73 -10.347 -8.301 17.693 1.00 0.00 N ATOM 894 CA LEU A 73 -10.892 -8.796 18.999 1.00 0.00 C ATOM 895 C LEU A 73 -10.692 -10.341 19.098 1.00 0.00 C ATOM 896 O LEU A 73 -11.468 -11.087 19.650 1.00 0.00 O ATOM 897 CB LEU A 73 -12.352 -8.258 18.951 1.00 0.00 C ATOM 898 CG LEU A 73 -13.424 -9.162 18.328 1.00 0.00 C ATOM 899 CD1 LEU A 73 -14.154 -9.970 19.418 1.00 0.00 C ATOM 900 CD2 LEU A 73 -14.507 -8.288 17.653 1.00 0.00 C ATOM 0 H LEU A 73 -10.563 -8.907 16.901 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.406 -8.454 19.913 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.659 -8.028 19.971 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.345 -7.317 18.401 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.926 -9.822 17.618 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.910 -10.605 18.956 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -13.436 -10.592 19.952 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -14.633 -9.286 20.118 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -15.269 -8.930 17.210 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.967 -7.639 18.398 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.049 -7.678 16.874 1.00 0.00 H new ATOM 912 N ASP A 74 -9.595 -10.766 18.532 1.00 0.00 N ATOM 913 CA ASP A 74 -9.158 -12.196 18.462 1.00 0.00 C ATOM 914 C ASP A 74 -10.389 -13.118 18.292 1.00 0.00 C ATOM 915 O ASP A 74 -10.606 -14.108 18.957 1.00 0.00 O ATOM 916 CB ASP A 74 -8.283 -12.466 19.787 1.00 0.00 C ATOM 917 CG ASP A 74 -8.673 -13.664 20.661 1.00 0.00 C ATOM 918 OD1 ASP A 74 -8.320 -14.731 20.191 1.00 0.00 O ATOM 919 OD2 ASP A 74 -9.269 -13.503 21.713 1.00 0.00 O ATOM 0 H ASP A 74 -8.936 -10.131 18.082 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.536 -12.415 17.594 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.244 -12.595 19.483 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.325 -11.570 20.406 1.00 0.00 H new ATOM 924 N ASN A 75 -11.216 -12.732 17.362 1.00 0.00 N ATOM 925 CA ASN A 75 -12.346 -13.612 16.998 1.00 0.00 C ATOM 926 C ASN A 75 -12.016 -13.984 15.561 1.00 0.00 C ATOM 927 O ASN A 75 -11.506 -13.176 14.806 1.00 0.00 O ATOM 928 CB ASN A 75 -13.669 -12.840 17.105 1.00 0.00 C ATOM 929 CG ASN A 75 -14.389 -13.138 18.379 1.00 0.00 C ATOM 930 OD1 ASN A 75 -15.508 -12.734 18.582 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.792 -13.843 19.264 1.00 0.00 N ATOM 0 H ASN A 75 -11.155 -11.854 16.846 1.00 0.00 H new ATOM 0 HA ASN A 75 -12.469 -14.484 17.641 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.471 -11.770 17.042 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.307 -13.096 16.259 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.262 -14.064 20.142 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.846 -14.184 19.092 1.00 0.00 H new ATOM 938 N ILE A 76 -12.304 -15.200 15.225 1.00 0.00 N ATOM 939 CA ILE A 76 -11.970 -15.691 13.884 1.00 0.00 C ATOM 940 C ILE A 76 -12.802 -15.067 12.815 1.00 0.00 C ATOM 941 O ILE A 76 -14.016 -15.150 12.752 1.00 0.00 O ATOM 942 CB ILE A 76 -12.067 -17.196 13.986 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.815 -17.357 14.900 1.00 0.00 C ATOM 944 CG2 ILE A 76 -11.908 -17.858 12.548 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.565 -18.691 15.271 1.00 0.00 C ATOM 0 H ILE A 76 -12.762 -15.878 15.834 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.966 -15.405 13.571 1.00 0.00 H new ATOM 0 HB ILE A 76 -12.988 -17.649 14.352 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.942 -16.962 14.381 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.951 -16.756 15.799 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.980 -18.942 12.637 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.698 -17.494 11.891 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.937 -17.592 12.130 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.680 -18.732 15.906 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.423 -19.084 15.817 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.398 -19.292 14.377 1.00 0.00 H new ATOM 957 N ALA A 77 -11.950 -14.466 12.044 1.00 0.00 N ATOM 958 CA ALA A 77 -12.231 -13.608 10.896 1.00 0.00 C ATOM 959 C ALA A 77 -11.982 -14.378 9.554 1.00 0.00 C ATOM 960 O ALA A 77 -12.663 -14.211 8.560 1.00 0.00 O ATOM 961 CB ALA A 77 -11.312 -12.467 11.400 1.00 0.00 C ATOM 0 H ALA A 77 -10.947 -14.561 12.202 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.224 -13.248 10.628 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.333 -11.642 10.688 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.664 -12.118 12.371 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.291 -12.838 11.496 1.00 0.00 H new ATOM 967 N GLN A 78 -10.983 -15.216 9.581 1.00 0.00 N ATOM 968 CA GLN A 78 -10.616 -16.105 8.404 1.00 0.00 C ATOM 969 C GLN A 78 -10.780 -17.616 8.767 1.00 0.00 C ATOM 970 O GLN A 78 -10.220 -18.050 9.756 1.00 0.00 O ATOM 971 CB GLN A 78 -9.153 -15.800 8.014 1.00 0.00 C ATOM 972 CG GLN A 78 -9.026 -14.314 7.545 1.00 0.00 C ATOM 973 CD GLN A 78 -9.786 -14.058 6.249 1.00 0.00 C ATOM 974 OE1 GLN A 78 -9.317 -14.289 5.159 1.00 0.00 O ATOM 975 NE2 GLN A 78 -10.987 -13.590 6.293 1.00 0.00 N ATOM 0 H GLN A 78 -10.376 -15.336 10.392 1.00 0.00 H new ATOM 0 HA GLN A 78 -11.283 -15.900 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.496 -15.979 8.865 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -8.833 -16.471 7.217 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.406 -13.654 8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.974 -14.067 7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -11.420 -13.381 7.192 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.503 -13.429 5.428 1.00 0.00 H new ATOM 984 N VAL A 79 -11.523 -18.364 7.976 1.00 0.00 N ATOM 985 CA VAL A 79 -11.757 -19.829 8.286 1.00 0.00 C ATOM 986 C VAL A 79 -10.721 -20.991 8.010 1.00 0.00 C ATOM 987 O VAL A 79 -10.072 -21.541 8.874 1.00 0.00 O ATOM 988 CB VAL A 79 -13.097 -20.310 7.594 1.00 0.00 C ATOM 989 CG1 VAL A 79 -13.257 -21.837 7.870 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.262 -19.792 8.199 1.00 0.00 C ATOM 0 H VAL A 79 -11.980 -18.028 7.128 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.708 -19.733 9.371 1.00 0.00 H new ATOM 0 HB VAL A 79 -13.015 -20.002 6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.174 -22.197 7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.404 -22.373 7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.305 -22.009 8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.141 -20.164 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.302 -20.108 9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.244 -18.703 8.151 1.00 0.00 H new ATOM 1000 N PRO A 80 -10.625 -21.348 6.756 1.00 0.00 N ATOM 1001 CA PRO A 80 -9.875 -22.510 6.207 1.00 0.00 C ATOM 1002 C PRO A 80 -8.380 -22.862 6.122 1.00 0.00 C ATOM 1003 O PRO A 80 -8.024 -23.156 4.995 1.00 0.00 O ATOM 1004 CB PRO A 80 -10.543 -22.603 4.796 1.00 0.00 C ATOM 1005 CG PRO A 80 -10.483 -21.119 4.511 1.00 0.00 C ATOM 1006 CD PRO A 80 -11.275 -20.614 5.664 1.00 0.00 C ATOM 0 HA PRO A 80 -9.933 -23.209 7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -9.979 -23.207 4.085 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -11.557 -23.002 4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.463 -20.735 4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -10.929 -20.859 3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.197 -19.533 5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.336 -20.849 5.577 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.487 -22.856 7.111 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.158 -23.414 6.706 1.00 0.00 C ATOM 1016 C ARG A 81 -4.943 -23.767 7.520 1.00 0.00 C ATOM 1017 O ARG A 81 -4.337 -22.963 8.192 1.00 0.00 O ATOM 1018 CB ARG A 81 -5.521 -22.616 5.482 1.00 0.00 C ATOM 1019 CG ARG A 81 -5.801 -21.152 5.493 1.00 0.00 C ATOM 1020 CD ARG A 81 -6.334 -20.683 4.106 1.00 0.00 C ATOM 1021 NE ARG A 81 -5.611 -21.433 3.010 1.00 0.00 N ATOM 1022 CZ ARG A 81 -4.674 -20.889 2.328 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -4.892 -20.190 1.293 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -3.492 -21.070 2.711 1.00 0.00 N ATOM 0 H ARG A 81 -7.606 -22.528 8.069 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.645 -24.387 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.442 -22.768 5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.899 -23.039 4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.534 -20.923 6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.892 -20.605 5.743 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.407 -20.862 4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.181 -19.610 3.989 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.877 -22.397 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.848 -20.041 0.970 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.111 -19.777 0.783 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.305 -21.634 3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.719 -20.653 2.193 1.00 0.00 H new ATOM 1038 N VAL A 82 -4.625 -25.022 7.399 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.398 -25.617 8.003 1.00 0.00 C ATOM 1040 C VAL A 82 -2.139 -24.868 7.681 1.00 0.00 C ATOM 1041 O VAL A 82 -1.151 -24.925 8.387 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.330 -27.010 7.487 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -1.918 -27.476 7.585 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.140 -27.833 8.439 1.00 0.00 C ATOM 0 H VAL A 82 -5.192 -25.693 6.881 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.468 -25.574 9.090 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.684 -27.083 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.845 -28.497 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.278 -26.825 6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.597 -27.447 8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.132 -28.874 8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.712 -27.759 9.439 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.166 -27.466 8.455 1.00 0.00 H new ATOM 1054 N GLY A 83 -2.316 -24.203 6.602 1.00 0.00 N ATOM 1055 CA GLY A 83 -1.288 -23.454 5.910 1.00 0.00 C ATOM 1056 C GLY A 83 -2.060 -22.665 4.871 1.00 0.00 C ATOM 1057 O GLY A 83 -2.012 -21.452 4.923 1.00 0.00 O ATOM 1058 OXT GLY A 83 -2.692 -23.311 4.065 1.00 0.00 O ATOM 0 H GLY A 83 -3.223 -24.152 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.744 -22.798 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.553 -24.114 5.448 1.00 0.00 H new TER 1062 GLY A 83