USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 676 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 68 MET CE :methyl -132:sc= -0.734 (180deg=-0.183) USER MOD Set 1.2: A 72 GLN : amide:sc= -0.717 K(o=-1.5,f=-6.6) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= -0.185 (180deg=-0.707) USER MOD Single : A 6 SER OG : rot 149:sc= -0.511 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -141:sc= 0.481 USER MOD Single : A 21 MET CE :methyl -119:sc= -7.23! (180deg=-16.3!) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= 0.109 (180deg=0.0042) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -34:sc= 1.03 USER MOD Single : A 32 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.17) USER MOD Single : A 40 SER OG : rot 32:sc= 1.13 USER MOD Single : A 41 SER OG : rot -140:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -4.9 K(o=-4.9,f=-9.9!) USER MOD Single : A 56 GLN : amide:sc= -0.71 K(o=-0.71,f=-4.1!) USER MOD Single : A 57 CYS SG : rot -112:sc= 0.0474 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 103:sc= -0.928 USER MOD Single : A 74 THR OG1 : rot -43:sc= 0.526 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 69:sc= 1.24 USER MOD Single : A 83 MET CE :methyl 148:sc= -4.68 (180deg=-9.01!) USER MOD Single : A 89 ASN : amide:sc= -0.536 X(o=-0.54,f=-0.79!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 8.251 -1.181 0.826 1.00 0.00 N ATOM 66 CA LYS A 5 6.849 -1.549 0.925 1.00 0.00 C ATOM 67 C LYS A 5 6.294 -1.810 -0.476 1.00 0.00 C ATOM 68 O LYS A 5 6.913 -1.440 -1.472 1.00 0.00 O ATOM 69 CB LYS A 5 6.069 -0.490 1.708 1.00 0.00 C ATOM 70 CG LYS A 5 6.443 -0.520 3.191 1.00 0.00 C ATOM 71 CD LYS A 5 5.439 -1.353 3.992 1.00 0.00 C ATOM 72 CE LYS A 5 4.047 -0.721 3.953 1.00 0.00 C ATOM 73 NZ LYS A 5 4.133 0.738 4.181 1.00 0.00 N ATOM 0 HA LYS A 5 6.738 -2.475 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.276 0.498 1.297 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.999 -0.664 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.443 -0.937 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.473 0.497 3.583 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.395 -2.364 3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.775 -1.438 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.579 -0.917 2.988 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.413 -1.177 4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.198 1.102 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.815 0.931 4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.447 1.208 3.308 1.00 0.00 H new ATOM 87 N SER A 6 5.132 -2.447 -0.509 1.00 0.00 N ATOM 88 CA SER A 6 4.487 -2.763 -1.772 1.00 0.00 C ATOM 89 C SER A 6 2.986 -2.963 -1.557 1.00 0.00 C ATOM 90 O SER A 6 2.516 -2.991 -0.420 1.00 0.00 O ATOM 91 CB SER A 6 5.103 -4.010 -2.409 1.00 0.00 C ATOM 92 OG SER A 6 5.935 -3.686 -3.520 1.00 0.00 O ATOM 0 H SER A 6 4.621 -2.753 0.319 1.00 0.00 H new ATOM 0 HA SER A 6 4.642 -1.927 -2.453 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.688 -4.547 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.308 -4.681 -2.735 1.00 0.00 H new ATOM 0 HG SER A 6 6.660 -4.341 -3.588 1.00 0.00 H new ATOM 98 N SER A 7 2.274 -3.096 -2.667 1.00 0.00 N ATOM 99 CA SER A 7 0.835 -3.293 -2.614 1.00 0.00 C ATOM 100 C SER A 7 0.471 -4.655 -3.208 1.00 0.00 C ATOM 101 O SER A 7 1.135 -5.132 -4.128 1.00 0.00 O ATOM 102 CB SER A 7 0.098 -2.176 -3.355 1.00 0.00 C ATOM 103 OG SER A 7 -1.028 -2.667 -4.077 1.00 0.00 O ATOM 0 H SER A 7 2.667 -3.071 -3.608 1.00 0.00 H new ATOM 0 HA SER A 7 0.524 -3.265 -1.570 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.231 -1.422 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.784 -1.684 -4.044 1.00 0.00 H new ATOM 0 HG SER A 7 -1.473 -1.923 -4.535 1.00 0.00 H new ATOM 109 N ILE A 8 -0.582 -5.243 -2.658 1.00 0.00 N ATOM 110 CA ILE A 8 -1.042 -6.540 -3.124 1.00 0.00 C ATOM 111 C ILE A 8 -2.569 -6.596 -3.037 1.00 0.00 C ATOM 112 O ILE A 8 -3.146 -6.290 -1.995 1.00 0.00 O ATOM 113 CB ILE A 8 -0.340 -7.663 -2.357 1.00 0.00 C ATOM 114 CG1 ILE A 8 1.132 -7.764 -2.758 1.00 0.00 C ATOM 115 CG2 ILE A 8 -1.076 -8.993 -2.538 1.00 0.00 C ATOM 116 CD1 ILE A 8 2.027 -7.060 -1.736 1.00 0.00 C ATOM 0 H ILE A 8 -1.129 -4.845 -1.895 1.00 0.00 H new ATOM 0 HA ILE A 8 -0.777 -6.686 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.368 -7.421 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.420 -8.812 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 8 1.276 -7.318 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.557 -9.775 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.096 -8.898 -2.164 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.100 -9.254 -3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.069 -7.146 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 8 1.752 -6.007 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.898 -7.525 -0.758 1.00 0.00 H new ATOM 128 N LEU A 9 -3.178 -6.989 -4.146 1.00 0.00 N ATOM 129 CA LEU A 9 -4.626 -7.089 -4.209 1.00 0.00 C ATOM 130 C LEU A 9 -5.037 -8.560 -4.105 1.00 0.00 C ATOM 131 O LEU A 9 -4.786 -9.343 -5.018 1.00 0.00 O ATOM 132 CB LEU A 9 -5.158 -6.389 -5.461 1.00 0.00 C ATOM 133 CG LEU A 9 -6.659 -6.095 -5.479 1.00 0.00 C ATOM 134 CD1 LEU A 9 -7.032 -5.084 -4.393 1.00 0.00 C ATOM 135 CD2 LEU A 9 -7.112 -5.639 -6.867 1.00 0.00 C ATOM 0 H LEU A 9 -2.695 -7.242 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.080 -6.570 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.622 -5.448 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.918 -7.006 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.191 -7.020 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.104 -4.892 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.766 -5.486 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.491 -4.153 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.183 -5.437 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.575 -4.732 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.901 -6.423 -7.594 1.00 0.00 H new ATOM 147 N LEU A 10 -5.660 -8.888 -2.983 1.00 0.00 N ATOM 148 CA LEU A 10 -6.107 -10.251 -2.747 1.00 0.00 C ATOM 149 C LEU A 10 -7.612 -10.341 -3.010 1.00 0.00 C ATOM 150 O LEU A 10 -8.360 -9.423 -2.678 1.00 0.00 O ATOM 151 CB LEU A 10 -5.699 -10.714 -1.347 1.00 0.00 C ATOM 152 CG LEU A 10 -4.195 -10.764 -1.069 1.00 0.00 C ATOM 153 CD1 LEU A 10 -3.687 -9.414 -0.559 1.00 0.00 C ATOM 154 CD2 LEU A 10 -3.851 -11.904 -0.110 1.00 0.00 C ATOM 0 H LEU A 10 -5.866 -8.234 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.619 -10.938 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.161 -10.050 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.113 -11.709 -1.180 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.681 -10.968 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.615 -9.477 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.878 -8.646 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.205 -9.156 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.776 -11.916 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.375 -11.756 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.156 -12.854 -0.549 1.00 0.00 H new ATOM 166 N ASP A 11 -8.010 -11.456 -3.604 1.00 0.00 N ATOM 167 CA ASP A 11 -9.411 -11.679 -3.915 1.00 0.00 C ATOM 168 C ASP A 11 -9.839 -13.045 -3.374 1.00 0.00 C ATOM 169 O ASP A 11 -9.451 -14.079 -3.913 1.00 0.00 O ATOM 170 CB ASP A 11 -9.648 -11.674 -5.427 1.00 0.00 C ATOM 171 CG ASP A 11 -10.895 -10.915 -5.885 1.00 0.00 C ATOM 172 OD1 ASP A 11 -12.000 -11.131 -5.366 1.00 0.00 O ATOM 173 OD2 ASP A 11 -10.695 -10.057 -6.827 1.00 0.00 O ATOM 0 H ASP A 11 -7.386 -12.215 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.989 -10.877 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.776 -11.238 -5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.722 -12.706 -5.771 1.00 0.00 H new ATOM 178 N VAL A 12 -10.634 -13.004 -2.315 1.00 0.00 N ATOM 179 CA VAL A 12 -11.119 -14.225 -1.694 1.00 0.00 C ATOM 180 C VAL A 12 -12.609 -14.389 -1.999 1.00 0.00 C ATOM 181 O VAL A 12 -13.394 -13.464 -1.793 1.00 0.00 O ATOM 182 CB VAL A 12 -10.812 -14.208 -0.196 1.00 0.00 C ATOM 183 CG1 VAL A 12 -9.773 -15.272 0.163 1.00 0.00 C ATOM 184 CG2 VAL A 12 -10.353 -12.820 0.254 1.00 0.00 C ATOM 0 H VAL A 12 -10.955 -12.144 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.606 -15.094 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.733 -14.445 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.573 -15.238 1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.154 -16.258 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.851 -15.079 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.141 -12.836 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.451 -12.541 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.139 -12.093 0.050 1.00 0.00 H new ATOM 194 N LYS A 13 -12.955 -15.573 -2.483 1.00 0.00 N ATOM 195 CA LYS A 13 -14.337 -15.871 -2.816 1.00 0.00 C ATOM 196 C LYS A 13 -15.046 -16.434 -1.582 1.00 0.00 C ATOM 197 O LYS A 13 -14.483 -17.256 -0.861 1.00 0.00 O ATOM 198 CB LYS A 13 -14.407 -16.788 -4.038 1.00 0.00 C ATOM 199 CG LYS A 13 -15.447 -16.285 -5.042 1.00 0.00 C ATOM 200 CD LYS A 13 -15.048 -16.651 -6.474 1.00 0.00 C ATOM 201 CE LYS A 13 -16.274 -16.709 -7.386 1.00 0.00 C ATOM 202 NZ LYS A 13 -15.979 -17.501 -8.601 1.00 0.00 N ATOM 0 H LYS A 13 -12.301 -16.337 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.866 -14.961 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.429 -16.838 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.660 -17.801 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.420 -16.717 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.549 -15.203 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.340 -15.916 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.541 -17.616 -6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.113 -17.153 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.574 -15.699 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.822 -17.530 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.193 -17.061 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.715 -18.469 -8.329 1.00 0.00 H new ATOM 216 N PRO A 14 -16.301 -15.956 -1.372 1.00 0.00 N ATOM 217 CA PRO A 14 -17.092 -16.403 -0.239 1.00 0.00 C ATOM 218 C PRO A 14 -17.630 -17.816 -0.469 1.00 0.00 C ATOM 219 O PRO A 14 -17.994 -18.172 -1.589 1.00 0.00 O ATOM 220 CB PRO A 14 -18.193 -15.364 -0.093 1.00 0.00 C ATOM 221 CG PRO A 14 -18.256 -14.634 -1.424 1.00 0.00 C ATOM 222 CD PRO A 14 -16.999 -14.982 -2.206 1.00 0.00 C ATOM 0 HA PRO A 14 -16.508 -16.477 0.678 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -19.148 -15.836 0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -17.973 -14.673 0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.146 -14.930 -1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.322 -13.557 -1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.243 -15.400 -3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -16.385 -14.099 -2.382 1.00 0.00 H new ATOM 230 N TRP A 15 -17.666 -18.585 0.611 1.00 0.00 N ATOM 231 CA TRP A 15 -18.154 -19.952 0.540 1.00 0.00 C ATOM 232 C TRP A 15 -19.554 -19.923 -0.076 1.00 0.00 C ATOM 233 O TRP A 15 -20.022 -20.928 -0.609 1.00 0.00 O ATOM 234 CB TRP A 15 -18.120 -20.618 1.917 1.00 0.00 C ATOM 235 CG TRP A 15 -17.165 -21.809 2.008 1.00 0.00 C ATOM 236 CD1 TRP A 15 -16.325 -22.120 3.007 1.00 0.00 C ATOM 237 CD2 TRP A 15 -16.983 -22.844 1.019 1.00 0.00 C ATOM 238 NE1 TRP A 15 -15.620 -23.274 2.734 1.00 0.00 N ATOM 239 CE2 TRP A 15 -16.032 -23.728 1.487 1.00 0.00 C ATOM 240 CE3 TRP A 15 -17.602 -23.027 -0.230 1.00 0.00 C ATOM 241 CZ2 TRP A 15 -15.616 -24.856 0.769 1.00 0.00 C ATOM 242 CZ3 TRP A 15 -17.175 -24.159 -0.934 1.00 0.00 C ATOM 243 CH2 TRP A 15 -16.219 -25.059 -0.478 1.00 0.00 C ATOM 0 H TRP A 15 -17.365 -18.287 1.539 1.00 0.00 H new ATOM 0 HA TRP A 15 -17.508 -20.560 -0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -17.831 -19.876 2.661 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -19.126 -20.951 2.173 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.215 -21.540 3.911 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -14.924 -23.713 3.337 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -18.348 -22.348 -0.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -14.870 -25.533 1.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -17.620 -24.346 -1.900 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -15.943 -25.910 -1.082 1.00 0.00 H new ATOM 254 N ASP A 16 -20.183 -18.761 0.018 1.00 0.00 N ATOM 255 CA ASP A 16 -21.521 -18.588 -0.522 1.00 0.00 C ATOM 256 C ASP A 16 -22.152 -17.331 0.081 1.00 0.00 C ATOM 257 O ASP A 16 -21.642 -16.785 1.058 1.00 0.00 O ATOM 258 CB ASP A 16 -22.415 -19.780 -0.173 1.00 0.00 C ATOM 259 CG ASP A 16 -23.917 -19.505 -0.248 1.00 0.00 C ATOM 260 OD1 ASP A 16 -24.514 -18.953 0.688 1.00 0.00 O ATOM 261 OD2 ASP A 16 -24.488 -19.889 -1.340 1.00 0.00 O ATOM 0 H ASP A 16 -19.791 -17.930 0.460 1.00 0.00 H new ATOM 0 HA ASP A 16 -21.438 -18.505 -1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.177 -20.603 -0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -22.172 -20.114 0.836 1.00 0.00 H new ATOM 266 N ASP A 17 -23.251 -16.911 -0.525 1.00 0.00 N ATOM 267 CA ASP A 17 -23.957 -15.729 -0.060 1.00 0.00 C ATOM 268 C ASP A 17 -23.985 -15.726 1.470 1.00 0.00 C ATOM 269 O ASP A 17 -23.981 -14.664 2.092 1.00 0.00 O ATOM 270 CB ASP A 17 -25.404 -15.720 -0.558 1.00 0.00 C ATOM 271 CG ASP A 17 -26.386 -14.945 0.323 1.00 0.00 C ATOM 272 OD1 ASP A 17 -26.339 -13.662 0.193 1.00 0.00 O ATOM 273 OD2 ASP A 17 -27.157 -15.536 1.093 1.00 0.00 O ATOM 0 H ASP A 17 -23.671 -17.368 -1.335 1.00 0.00 H new ATOM 0 HA ASP A 17 -23.437 -14.852 -0.446 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -25.425 -15.294 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -25.750 -16.750 -0.642 1.00 0.00 H new ATOM 278 N GLU A 18 -24.012 -16.925 2.032 1.00 0.00 N ATOM 279 CA GLU A 18 -24.038 -17.074 3.477 1.00 0.00 C ATOM 280 C GLU A 18 -22.835 -16.369 4.107 1.00 0.00 C ATOM 281 O GLU A 18 -22.991 -15.575 5.032 1.00 0.00 O ATOM 282 CB GLU A 18 -24.079 -18.550 3.876 1.00 0.00 C ATOM 283 CG GLU A 18 -22.788 -19.264 3.470 1.00 0.00 C ATOM 284 CD GLU A 18 -22.935 -20.781 3.601 1.00 0.00 C ATOM 285 OE1 GLU A 18 -23.667 -21.402 2.817 1.00 0.00 O ATOM 286 OE2 GLU A 18 -22.255 -21.314 4.559 1.00 0.00 O ATOM 0 H GLU A 18 -24.016 -17.803 1.513 1.00 0.00 H new ATOM 0 HA GLU A 18 -24.947 -16.604 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -24.223 -18.635 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -24.932 -19.035 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.534 -19.007 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.965 -18.919 4.097 1.00 0.00 H new ATOM 293 N THR A 19 -21.662 -16.685 3.579 1.00 0.00 N ATOM 294 CA THR A 19 -20.433 -16.091 4.077 1.00 0.00 C ATOM 295 C THR A 19 -20.645 -14.610 4.391 1.00 0.00 C ATOM 296 O THR A 19 -20.662 -13.774 3.488 1.00 0.00 O ATOM 297 CB THR A 19 -19.335 -16.341 3.041 1.00 0.00 C ATOM 298 OG1 THR A 19 -18.924 -17.683 3.288 1.00 0.00 O ATOM 299 CG2 THR A 19 -18.077 -15.511 3.310 1.00 0.00 C ATOM 0 H THR A 19 -21.536 -17.345 2.811 1.00 0.00 H new ATOM 0 HA THR A 19 -20.125 -16.549 5.017 1.00 0.00 H new ATOM 0 HB THR A 19 -19.716 -16.112 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.952 -17.751 3.186 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.329 -15.726 2.547 1.00 0.00 H new ATOM 0 HG22 THR A 19 -18.328 -14.451 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.677 -15.765 4.291 1.00 0.00 H new ATOM 307 N ASP A 20 -20.802 -14.327 5.677 1.00 0.00 N ATOM 308 CA ASP A 20 -21.013 -12.960 6.123 1.00 0.00 C ATOM 309 C ASP A 20 -19.927 -12.061 5.527 1.00 0.00 C ATOM 310 O ASP A 20 -18.811 -12.009 6.040 1.00 0.00 O ATOM 311 CB ASP A 20 -20.929 -12.859 7.647 1.00 0.00 C ATOM 312 CG ASP A 20 -22.190 -12.328 8.331 1.00 0.00 C ATOM 313 OD1 ASP A 20 -22.757 -11.304 7.919 1.00 0.00 O ATOM 314 OD2 ASP A 20 -22.595 -13.021 9.340 1.00 0.00 O ATOM 0 H ASP A 20 -20.787 -15.022 6.424 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.005 -12.647 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -20.704 -13.847 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -20.092 -12.211 7.907 1.00 0.00 H new ATOM 319 N MET A 21 -20.294 -11.376 4.455 1.00 0.00 N ATOM 320 CA MET A 21 -19.365 -10.482 3.785 1.00 0.00 C ATOM 321 C MET A 21 -19.001 -9.297 4.681 1.00 0.00 C ATOM 322 O MET A 21 -18.000 -8.623 4.449 1.00 0.00 O ATOM 323 CB MET A 21 -19.996 -9.968 2.489 1.00 0.00 C ATOM 324 CG MET A 21 -20.328 -11.125 1.544 1.00 0.00 C ATOM 325 SD MET A 21 -20.510 -10.517 -0.125 1.00 0.00 S ATOM 326 CE MET A 21 -19.003 -11.141 -0.848 1.00 0.00 C ATOM 0 H MET A 21 -21.222 -11.422 4.033 1.00 0.00 H new ATOM 0 HA MET A 21 -18.454 -11.037 3.561 1.00 0.00 H new ATOM 0 HB2 MET A 21 -20.903 -9.410 2.719 1.00 0.00 H new ATOM 0 HB3 MET A 21 -19.312 -9.276 1.997 1.00 0.00 H new ATOM 0 HG2 MET A 21 -19.538 -11.875 1.583 1.00 0.00 H new ATOM 0 HG3 MET A 21 -21.248 -11.614 1.864 1.00 0.00 H new ATOM 0 HE1 MET A 21 -18.397 -10.307 -1.203 1.00 0.00 H new ATOM 0 HE2 MET A 21 -18.445 -11.702 -0.098 1.00 0.00 H new ATOM 0 HE3 MET A 21 -19.245 -11.796 -1.685 1.00 0.00 H new ATOM 336 N ALA A 22 -19.835 -9.079 5.687 1.00 0.00 N ATOM 337 CA ALA A 22 -19.615 -7.987 6.620 1.00 0.00 C ATOM 338 C ALA A 22 -18.524 -8.386 7.617 1.00 0.00 C ATOM 339 O ALA A 22 -17.774 -7.537 8.093 1.00 0.00 O ATOM 340 CB ALA A 22 -20.933 -7.631 7.310 1.00 0.00 C ATOM 0 H ALA A 22 -20.665 -9.641 5.877 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.272 -7.096 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.768 -6.812 8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -21.665 -7.327 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -21.307 -8.500 7.851 1.00 0.00 H new ATOM 346 N LYS A 23 -18.472 -9.679 7.902 1.00 0.00 N ATOM 347 CA LYS A 23 -17.486 -10.201 8.833 1.00 0.00 C ATOM 348 C LYS A 23 -16.189 -10.503 8.079 1.00 0.00 C ATOM 349 O LYS A 23 -15.097 -10.296 8.608 1.00 0.00 O ATOM 350 CB LYS A 23 -18.050 -11.403 9.593 1.00 0.00 C ATOM 351 CG LYS A 23 -17.289 -11.632 10.900 1.00 0.00 C ATOM 352 CD LYS A 23 -16.096 -12.566 10.682 1.00 0.00 C ATOM 353 CE LYS A 23 -15.295 -12.743 11.974 1.00 0.00 C ATOM 354 NZ LYS A 23 -15.185 -14.176 12.325 1.00 0.00 N ATOM 0 H LYS A 23 -19.097 -10.381 7.505 1.00 0.00 H new ATOM 0 HA LYS A 23 -17.248 -9.457 9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.106 -11.239 9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -17.986 -12.295 8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -16.941 -10.677 11.295 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -17.959 -12.060 11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.448 -13.536 10.333 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -15.451 -12.162 9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.300 -12.315 11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.779 -12.200 12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.970 -14.270 13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -16.085 -14.655 12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.423 -14.613 11.767 1.00 0.00 H new ATOM 368 N LEU A 24 -16.352 -10.987 6.857 1.00 0.00 N ATOM 369 CA LEU A 24 -15.207 -11.320 6.026 1.00 0.00 C ATOM 370 C LEU A 24 -14.463 -10.036 5.653 1.00 0.00 C ATOM 371 O LEU A 24 -13.234 -10.004 5.655 1.00 0.00 O ATOM 372 CB LEU A 24 -15.645 -12.150 4.818 1.00 0.00 C ATOM 373 CG LEU A 24 -14.782 -13.370 4.494 1.00 0.00 C ATOM 374 CD1 LEU A 24 -15.480 -14.285 3.485 1.00 0.00 C ATOM 375 CD2 LEU A 24 -13.392 -12.947 4.016 1.00 0.00 C ATOM 0 H LEU A 24 -17.259 -11.157 6.422 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.506 -11.947 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -16.668 -12.488 4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -15.663 -11.500 3.943 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.647 -13.945 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.844 -15.144 3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.428 -14.628 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.666 -13.735 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.799 -13.834 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.486 -12.337 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.899 -12.368 4.797 1.00 0.00 H new ATOM 387 N GLU A 25 -15.240 -9.009 5.341 1.00 0.00 N ATOM 388 CA GLU A 25 -14.670 -7.727 4.965 1.00 0.00 C ATOM 389 C GLU A 25 -14.071 -7.034 6.190 1.00 0.00 C ATOM 390 O GLU A 25 -12.913 -6.619 6.169 1.00 0.00 O ATOM 391 CB GLU A 25 -15.718 -6.837 4.291 1.00 0.00 C ATOM 392 CG GLU A 25 -15.063 -5.618 3.638 1.00 0.00 C ATOM 393 CD GLU A 25 -15.678 -4.319 4.163 1.00 0.00 C ATOM 394 OE1 GLU A 25 -15.473 -3.965 5.333 1.00 0.00 O ATOM 395 OE2 GLU A 25 -16.392 -3.669 3.307 1.00 0.00 O ATOM 0 H GLU A 25 -16.260 -9.039 5.341 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.872 -7.904 4.244 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.258 -7.411 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.451 -6.509 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.992 -5.625 3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.185 -5.671 2.556 1.00 0.00 H new ATOM 402 N GLU A 26 -14.886 -6.929 7.229 1.00 0.00 N ATOM 403 CA GLU A 26 -14.450 -6.293 8.462 1.00 0.00 C ATOM 404 C GLU A 26 -13.221 -7.011 9.023 1.00 0.00 C ATOM 405 O GLU A 26 -12.185 -6.389 9.252 1.00 0.00 O ATOM 406 CB GLU A 26 -15.582 -6.258 9.491 1.00 0.00 C ATOM 407 CG GLU A 26 -16.600 -5.167 9.149 1.00 0.00 C ATOM 408 CD GLU A 26 -16.015 -3.775 9.397 1.00 0.00 C ATOM 409 OE1 GLU A 26 -15.790 -3.395 10.555 1.00 0.00 O ATOM 410 OE2 GLU A 26 -15.792 -3.081 8.334 1.00 0.00 O ATOM 0 H GLU A 26 -15.846 -7.273 7.243 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.174 -5.262 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.079 -7.227 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.170 -6.078 10.484 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -16.900 -5.259 8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.498 -5.301 9.752 1.00 0.00 H new ATOM 417 N CYS A 27 -13.377 -8.310 9.229 1.00 0.00 N ATOM 418 CA CYS A 27 -12.293 -9.119 9.760 1.00 0.00 C ATOM 419 C CYS A 27 -11.025 -8.807 8.962 1.00 0.00 C ATOM 420 O CYS A 27 -9.992 -8.470 9.538 1.00 0.00 O ATOM 421 CB CYS A 27 -12.633 -10.610 9.731 1.00 0.00 C ATOM 422 SG CYS A 27 -11.374 -11.558 10.662 1.00 0.00 S ATOM 0 H CYS A 27 -14.238 -8.823 9.038 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.131 -8.871 10.809 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.619 -10.775 10.165 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.676 -10.962 8.700 1.00 0.00 H new ATOM 0 HG CYS A 27 -11.674 -12.823 10.633 1.00 0.00 H new ATOM 428 N VAL A 28 -11.146 -8.930 7.648 1.00 0.00 N ATOM 429 CA VAL A 28 -10.024 -8.666 6.764 1.00 0.00 C ATOM 430 C VAL A 28 -9.378 -7.334 7.152 1.00 0.00 C ATOM 431 O VAL A 28 -8.156 -7.198 7.113 1.00 0.00 O ATOM 432 CB VAL A 28 -10.485 -8.704 5.306 1.00 0.00 C ATOM 433 CG1 VAL A 28 -9.839 -7.578 4.497 1.00 0.00 C ATOM 434 CG2 VAL A 28 -10.196 -10.068 4.676 1.00 0.00 C ATOM 0 H VAL A 28 -12.005 -9.209 7.174 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.264 -9.440 6.870 1.00 0.00 H new ATOM 0 HB VAL A 28 -11.564 -8.550 5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.184 -7.628 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.117 -6.616 4.926 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.755 -7.687 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.533 -10.069 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.124 -10.264 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.724 -10.844 5.230 1.00 0.00 H new ATOM 444 N ARG A 29 -10.228 -6.386 7.519 1.00 0.00 N ATOM 445 CA ARG A 29 -9.755 -5.069 7.913 1.00 0.00 C ATOM 446 C ARG A 29 -9.135 -5.125 9.311 1.00 0.00 C ATOM 447 O ARG A 29 -8.169 -4.418 9.593 1.00 0.00 O ATOM 448 CB ARG A 29 -10.897 -4.050 7.909 1.00 0.00 C ATOM 449 CG ARG A 29 -10.463 -2.743 7.243 1.00 0.00 C ATOM 450 CD ARG A 29 -11.021 -1.533 7.995 1.00 0.00 C ATOM 451 NE ARG A 29 -10.655 -0.285 7.289 1.00 0.00 N ATOM 452 CZ ARG A 29 -11.018 0.940 7.692 1.00 0.00 C ATOM 453 NH1 ARG A 29 -11.759 1.090 8.797 1.00 0.00 N ATOM 454 NH2 ARG A 29 -10.639 2.016 6.987 1.00 0.00 N ATOM 0 H ARG A 29 -11.241 -6.503 7.552 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.002 -4.756 7.190 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.756 -4.464 7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.216 -3.852 8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.375 -2.688 7.216 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.809 -2.725 6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.105 -1.612 8.073 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.629 -1.514 9.012 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.091 -0.362 6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.047 0.271 9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.035 2.023 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.075 1.901 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.915 2.949 7.293 1.00 0.00 H new ATOM 468 N SER A 30 -9.717 -5.971 10.147 1.00 0.00 N ATOM 469 CA SER A 30 -9.234 -6.128 11.509 1.00 0.00 C ATOM 470 C SER A 30 -7.866 -6.812 11.503 1.00 0.00 C ATOM 471 O SER A 30 -7.065 -6.617 12.417 1.00 0.00 O ATOM 472 CB SER A 30 -10.224 -6.930 12.356 1.00 0.00 C ATOM 473 OG SER A 30 -10.092 -8.333 12.146 1.00 0.00 O ATOM 0 H SER A 30 -10.518 -6.555 9.908 1.00 0.00 H new ATOM 0 HA SER A 30 -9.137 -5.137 11.953 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.065 -6.705 13.410 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.241 -6.621 12.114 1.00 0.00 H new ATOM 0 HG SER A 30 -9.853 -8.503 11.211 1.00 0.00 H new ATOM 479 N ILE A 31 -7.637 -7.600 10.462 1.00 0.00 N ATOM 480 CA ILE A 31 -6.380 -8.314 10.324 1.00 0.00 C ATOM 481 C ILE A 31 -5.223 -7.368 10.654 1.00 0.00 C ATOM 482 O ILE A 31 -5.111 -6.293 10.069 1.00 0.00 O ATOM 483 CB ILE A 31 -6.276 -8.954 8.939 1.00 0.00 C ATOM 484 CG1 ILE A 31 -7.298 -10.081 8.777 1.00 0.00 C ATOM 485 CG2 ILE A 31 -4.849 -9.431 8.662 1.00 0.00 C ATOM 486 CD1 ILE A 31 -7.193 -11.086 9.925 1.00 0.00 C ATOM 0 H ILE A 31 -8.302 -7.759 9.706 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.330 -9.139 11.034 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.513 -8.195 8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.304 -9.663 8.746 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.135 -10.590 7.827 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.802 -9.882 7.671 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.166 -8.582 8.707 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.560 -10.169 9.411 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.930 -11.876 9.785 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.193 -11.520 9.938 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.380 -10.578 10.871 1.00 0.00 H new ATOM 498 N GLN A 32 -4.393 -7.804 11.590 1.00 0.00 N ATOM 499 CA GLN A 32 -3.249 -7.010 12.004 1.00 0.00 C ATOM 500 C GLN A 32 -1.949 -7.776 11.748 1.00 0.00 C ATOM 501 O GLN A 32 -1.882 -8.984 11.971 1.00 0.00 O ATOM 502 CB GLN A 32 -3.366 -6.606 13.475 1.00 0.00 C ATOM 503 CG GLN A 32 -3.011 -5.130 13.669 1.00 0.00 C ATOM 504 CD GLN A 32 -2.207 -4.923 14.954 1.00 0.00 C ATOM 505 OE1 GLN A 32 -1.210 -5.579 15.205 1.00 0.00 O ATOM 506 NE2 GLN A 32 -2.694 -3.976 15.750 1.00 0.00 N ATOM 0 H GLN A 32 -4.490 -8.697 12.073 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.232 -6.096 11.410 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.382 -6.788 13.826 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.704 -7.225 14.080 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.435 -4.776 12.814 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.923 -4.535 13.707 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.534 -3.464 15.479 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.228 -3.761 16.632 1.00 0.00 H new ATOM 515 N ALA A 33 -0.949 -7.043 11.281 1.00 0.00 N ATOM 516 CA ALA A 33 0.344 -7.639 10.992 1.00 0.00 C ATOM 517 C ALA A 33 1.411 -6.542 10.963 1.00 0.00 C ATOM 518 O ALA A 33 1.085 -5.355 10.935 1.00 0.00 O ATOM 519 CB ALA A 33 0.267 -8.412 9.674 1.00 0.00 C ATOM 0 H ALA A 33 -1.008 -6.042 11.096 1.00 0.00 H new ATOM 0 HA ALA A 33 0.622 -8.349 11.771 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.237 -8.859 9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.484 -9.197 9.756 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.007 -7.731 8.868 1.00 0.00 H new ATOM 525 N ASP A 34 2.662 -6.977 10.968 1.00 0.00 N ATOM 526 CA ASP A 34 3.778 -6.047 10.943 1.00 0.00 C ATOM 527 C ASP A 34 3.948 -5.501 9.524 1.00 0.00 C ATOM 528 O ASP A 34 3.809 -6.239 8.550 1.00 0.00 O ATOM 529 CB ASP A 34 5.082 -6.741 11.343 1.00 0.00 C ATOM 530 CG ASP A 34 6.124 -5.832 11.998 1.00 0.00 C ATOM 531 OD1 ASP A 34 5.832 -4.681 12.356 1.00 0.00 O ATOM 532 OD2 ASP A 34 7.293 -6.356 12.138 1.00 0.00 O ATOM 0 H ASP A 34 2.928 -7.962 10.989 1.00 0.00 H new ATOM 0 HA ASP A 34 3.566 -5.245 11.650 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.847 -7.554 12.030 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.523 -7.193 10.454 1.00 0.00 H new ATOM 537 N GLY A 35 4.248 -4.212 9.453 1.00 0.00 N ATOM 538 CA GLY A 35 4.438 -3.558 8.169 1.00 0.00 C ATOM 539 C GLY A 35 3.180 -3.666 7.306 1.00 0.00 C ATOM 540 O GLY A 35 3.233 -3.457 6.095 1.00 0.00 O ATOM 0 H GLY A 35 4.364 -3.603 10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.687 -2.508 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.281 -4.011 7.647 1.00 0.00 H new ATOM 544 N LEU A 36 2.076 -3.992 7.964 1.00 0.00 N ATOM 545 CA LEU A 36 0.807 -4.130 7.272 1.00 0.00 C ATOM 546 C LEU A 36 0.044 -2.805 7.343 1.00 0.00 C ATOM 547 O LEU A 36 0.085 -2.115 8.361 1.00 0.00 O ATOM 548 CB LEU A 36 0.021 -5.321 7.826 1.00 0.00 C ATOM 549 CG LEU A 36 -1.496 -5.269 7.640 1.00 0.00 C ATOM 550 CD1 LEU A 36 -1.876 -5.474 6.171 1.00 0.00 C ATOM 551 CD2 LEU A 36 -2.196 -6.273 8.557 1.00 0.00 C ATOM 0 H LEU A 36 2.035 -4.164 8.969 1.00 0.00 H new ATOM 0 HA LEU A 36 0.972 -4.348 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.394 -6.229 7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.234 -5.407 8.892 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.841 -4.276 7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.960 -5.433 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.423 -4.690 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.516 -6.446 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.274 -6.215 8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.850 -7.280 8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.964 -6.040 9.596 1.00 0.00 H new ATOM 563 N VAL A 37 -0.631 -2.488 6.248 1.00 0.00 N ATOM 564 CA VAL A 37 -1.401 -1.258 6.174 1.00 0.00 C ATOM 565 C VAL A 37 -2.678 -1.509 5.369 1.00 0.00 C ATOM 566 O VAL A 37 -2.617 -1.787 4.173 1.00 0.00 O ATOM 567 CB VAL A 37 -0.537 -0.136 5.591 1.00 0.00 C ATOM 568 CG1 VAL A 37 -1.403 0.915 4.893 1.00 0.00 C ATOM 569 CG2 VAL A 37 0.334 0.502 6.674 1.00 0.00 C ATOM 0 H VAL A 37 -0.661 -3.061 5.405 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.703 -0.935 7.170 1.00 0.00 H new ATOM 0 HB VAL A 37 0.125 -0.574 4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.766 1.701 4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.961 0.446 4.083 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.100 1.347 5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.938 1.296 6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.303 0.920 7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.989 -0.254 7.107 1.00 0.00 H new ATOM 579 N TRP A 38 -3.803 -1.400 6.058 1.00 0.00 N ATOM 580 CA TRP A 38 -5.093 -1.611 5.423 1.00 0.00 C ATOM 581 C TRP A 38 -5.513 -0.299 4.759 1.00 0.00 C ATOM 582 O TRP A 38 -5.607 0.734 5.421 1.00 0.00 O ATOM 583 CB TRP A 38 -6.123 -2.127 6.431 1.00 0.00 C ATOM 584 CG TRP A 38 -6.061 -3.638 6.665 1.00 0.00 C ATOM 585 CD1 TRP A 38 -5.910 -4.288 7.827 1.00 0.00 C ATOM 586 CD2 TRP A 38 -6.156 -4.668 5.659 1.00 0.00 C ATOM 587 NE1 TRP A 38 -5.901 -5.656 7.644 1.00 0.00 N ATOM 588 CE2 TRP A 38 -6.056 -5.894 6.284 1.00 0.00 C ATOM 589 CE3 TRP A 38 -6.323 -4.567 4.266 1.00 0.00 C ATOM 590 CZ2 TRP A 38 -6.109 -7.113 5.596 1.00 0.00 C ATOM 591 CZ3 TRP A 38 -6.374 -5.794 3.593 1.00 0.00 C ATOM 592 CH2 TRP A 38 -6.274 -7.037 4.208 1.00 0.00 C ATOM 0 H TRP A 38 -3.849 -1.168 7.050 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.024 -2.383 4.657 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.973 -1.616 7.382 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.122 -1.864 6.082 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.808 -3.802 8.786 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -5.799 -6.362 8.373 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.405 -3.619 3.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.027 -8.060 6.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.500 -5.773 2.521 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.323 -7.940 3.617 1.00 0.00 H new ATOM 603 N GLY A 39 -5.755 -0.382 3.459 1.00 0.00 N ATOM 604 CA GLY A 39 -6.163 0.786 2.697 1.00 0.00 C ATOM 605 C GLY A 39 -7.688 0.890 2.626 1.00 0.00 C ATOM 606 O GLY A 39 -8.299 1.643 3.383 1.00 0.00 O ATOM 0 H GLY A 39 -5.676 -1.240 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.755 1.686 3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.752 0.729 1.689 1.00 0.00 H new ATOM 610 N SER A 40 -8.259 0.122 1.710 1.00 0.00 N ATOM 611 CA SER A 40 -9.701 0.118 1.531 1.00 0.00 C ATOM 612 C SER A 40 -10.122 -1.099 0.704 1.00 0.00 C ATOM 613 O SER A 40 -9.503 -1.407 -0.313 1.00 0.00 O ATOM 614 CB SER A 40 -10.177 1.407 0.858 1.00 0.00 C ATOM 615 OG SER A 40 -10.351 2.466 1.796 1.00 0.00 O ATOM 0 H SER A 40 -7.750 -0.502 1.084 1.00 0.00 H new ATOM 0 HA SER A 40 -10.167 0.061 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.454 1.709 0.100 1.00 0.00 H new ATOM 0 HB3 SER A 40 -11.119 1.220 0.343 1.00 0.00 H new ATOM 0 HG SER A 40 -9.707 2.364 2.528 1.00 0.00 H new ATOM 621 N SER A 41 -11.173 -1.757 1.171 1.00 0.00 N ATOM 622 CA SER A 41 -11.683 -2.933 0.486 1.00 0.00 C ATOM 623 C SER A 41 -12.765 -2.526 -0.518 1.00 0.00 C ATOM 624 O SER A 41 -13.405 -1.488 -0.358 1.00 0.00 O ATOM 625 CB SER A 41 -12.241 -3.951 1.483 1.00 0.00 C ATOM 626 OG SER A 41 -13.250 -3.386 2.315 1.00 0.00 O ATOM 0 H SER A 41 -11.685 -1.499 2.015 1.00 0.00 H new ATOM 0 HA SER A 41 -10.858 -3.402 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.653 -4.802 0.940 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.430 -4.332 2.104 1.00 0.00 H new ATOM 0 HG SER A 41 -13.144 -3.720 3.230 1.00 0.00 H new ATOM 632 N LYS A 42 -12.934 -3.365 -1.529 1.00 0.00 N ATOM 633 CA LYS A 42 -13.925 -3.106 -2.558 1.00 0.00 C ATOM 634 C LYS A 42 -14.767 -4.365 -2.778 1.00 0.00 C ATOM 635 O LYS A 42 -14.302 -5.477 -2.533 1.00 0.00 O ATOM 636 CB LYS A 42 -13.254 -2.585 -3.831 1.00 0.00 C ATOM 637 CG LYS A 42 -11.786 -3.010 -3.888 1.00 0.00 C ATOM 638 CD LYS A 42 -11.113 -2.486 -5.159 1.00 0.00 C ATOM 639 CE LYS A 42 -11.593 -3.255 -6.391 1.00 0.00 C ATOM 640 NZ LYS A 42 -11.639 -2.366 -7.572 1.00 0.00 N ATOM 0 H LYS A 42 -12.401 -4.225 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.607 -2.317 -2.239 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.781 -2.965 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -13.323 -1.498 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.260 -2.632 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.717 -4.097 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.332 -1.425 -5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.031 -2.579 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.925 -4.094 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.583 -3.672 -6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.967 -2.904 -8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.294 -1.579 -7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.688 -1.988 -7.759 1.00 0.00 H new ATOM 654 N LEU A 43 -15.991 -4.147 -3.237 1.00 0.00 N ATOM 655 CA LEU A 43 -16.902 -5.251 -3.492 1.00 0.00 C ATOM 656 C LEU A 43 -17.194 -5.328 -4.992 1.00 0.00 C ATOM 657 O LEU A 43 -16.988 -4.357 -5.719 1.00 0.00 O ATOM 658 CB LEU A 43 -18.157 -5.120 -2.627 1.00 0.00 C ATOM 659 CG LEU A 43 -18.150 -5.905 -1.313 1.00 0.00 C ATOM 660 CD1 LEU A 43 -18.135 -7.411 -1.574 1.00 0.00 C ATOM 661 CD2 LEU A 43 -16.987 -5.466 -0.420 1.00 0.00 C ATOM 0 H LEU A 43 -16.373 -3.223 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.444 -6.198 -3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -18.307 -4.065 -2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.016 -5.443 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.072 -5.681 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -18.130 -7.945 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -19.022 -7.691 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -17.242 -7.673 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -17.004 -6.039 0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -16.044 -5.642 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -17.083 -4.404 -0.193 1.00 0.00 H new ATOM 673 N VAL A 44 -17.668 -6.492 -5.411 1.00 0.00 N ATOM 674 CA VAL A 44 -17.992 -6.708 -6.811 1.00 0.00 C ATOM 675 C VAL A 44 -19.068 -7.790 -6.920 1.00 0.00 C ATOM 676 O VAL A 44 -18.769 -8.980 -6.833 1.00 0.00 O ATOM 677 CB VAL A 44 -16.721 -7.048 -7.594 1.00 0.00 C ATOM 678 CG1 VAL A 44 -17.050 -7.868 -8.843 1.00 0.00 C ATOM 679 CG2 VAL A 44 -15.947 -5.779 -7.959 1.00 0.00 C ATOM 0 H VAL A 44 -17.836 -7.296 -4.806 1.00 0.00 H new ATOM 0 HA VAL A 44 -18.399 -5.799 -7.254 1.00 0.00 H new ATOM 0 HB VAL A 44 -16.084 -7.656 -6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -16.130 -8.096 -9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -17.539 -8.797 -8.550 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -17.716 -7.296 -9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -15.049 -6.048 -8.515 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -16.575 -5.134 -8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -15.666 -5.250 -7.049 1.00 0.00 H new ATOM 689 N PRO A 45 -20.332 -7.325 -7.115 1.00 0.00 N ATOM 690 CA PRO A 45 -21.455 -8.240 -7.237 1.00 0.00 C ATOM 691 C PRO A 45 -21.458 -8.924 -8.605 1.00 0.00 C ATOM 692 O PRO A 45 -21.200 -8.284 -9.624 1.00 0.00 O ATOM 693 CB PRO A 45 -22.686 -7.382 -6.998 1.00 0.00 C ATOM 694 CG PRO A 45 -22.243 -5.945 -7.211 1.00 0.00 C ATOM 695 CD PRO A 45 -20.723 -5.923 -7.223 1.00 0.00 C ATOM 0 HA PRO A 45 -21.412 -9.060 -6.520 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -23.487 -7.649 -7.687 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -23.072 -7.526 -5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.638 -5.559 -8.151 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.628 -5.305 -6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -20.341 -5.475 -8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.329 -5.337 -6.393 1.00 0.00 H new ATOM 703 N VAL A 46 -21.754 -10.215 -8.585 1.00 0.00 N ATOM 704 CA VAL A 46 -21.794 -10.994 -9.811 1.00 0.00 C ATOM 705 C VAL A 46 -23.250 -11.290 -10.173 1.00 0.00 C ATOM 706 O VAL A 46 -23.774 -10.752 -11.147 1.00 0.00 O ATOM 707 CB VAL A 46 -20.946 -12.257 -9.657 1.00 0.00 C ATOM 708 CG1 VAL A 46 -21.146 -13.200 -10.846 1.00 0.00 C ATOM 709 CG2 VAL A 46 -19.467 -11.908 -9.478 1.00 0.00 C ATOM 0 H VAL A 46 -21.969 -10.742 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.362 -10.429 -10.637 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.279 -12.775 -8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -20.532 -14.090 -10.712 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -22.195 -13.489 -10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -20.854 -12.693 -11.766 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -18.887 -12.825 -9.371 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -19.115 -11.356 -10.350 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.343 -11.294 -8.586 1.00 0.00 H new ATOM 719 N GLY A 47 -23.864 -12.148 -9.370 1.00 0.00 N ATOM 720 CA GLY A 47 -25.249 -12.523 -9.594 1.00 0.00 C ATOM 721 C GLY A 47 -25.770 -13.402 -8.455 1.00 0.00 C ATOM 722 O GLY A 47 -25.012 -13.781 -7.562 1.00 0.00 O ATOM 0 H GLY A 47 -23.427 -12.594 -8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -25.863 -11.626 -9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -25.336 -13.058 -10.540 1.00 0.00 H new ATOM 726 N TYR A 48 -27.058 -13.702 -8.524 1.00 0.00 N ATOM 727 CA TYR A 48 -27.688 -14.530 -7.509 1.00 0.00 C ATOM 728 C TYR A 48 -27.762 -13.796 -6.170 1.00 0.00 C ATOM 729 O TYR A 48 -28.849 -13.523 -5.664 1.00 0.00 O ATOM 730 CB TYR A 48 -26.795 -15.762 -7.354 1.00 0.00 C ATOM 731 CG TYR A 48 -27.553 -17.038 -6.985 1.00 0.00 C ATOM 732 CD1 TYR A 48 -27.936 -17.259 -5.677 1.00 0.00 C ATOM 733 CD2 TYR A 48 -27.854 -17.969 -7.959 1.00 0.00 C ATOM 734 CE1 TYR A 48 -28.649 -18.461 -5.329 1.00 0.00 C ATOM 735 CE2 TYR A 48 -28.567 -19.170 -7.611 1.00 0.00 C ATOM 736 CZ TYR A 48 -28.929 -19.357 -6.314 1.00 0.00 C ATOM 737 OH TYR A 48 -29.603 -20.492 -5.985 1.00 0.00 O ATOM 0 H TYR A 48 -27.683 -13.387 -9.266 1.00 0.00 H new ATOM 0 HA TYR A 48 -28.706 -14.787 -7.802 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -26.258 -15.928 -8.288 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -26.047 -15.562 -6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -27.701 -16.531 -4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -27.554 -17.796 -8.982 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -28.954 -18.647 -4.310 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -28.809 -19.906 -8.363 1.00 0.00 H new ATOM 0 HH TYR A 48 -29.734 -21.039 -6.788 1.00 0.00 H new ATOM 747 N GLY A 49 -26.588 -13.495 -5.632 1.00 0.00 N ATOM 748 CA GLY A 49 -26.505 -12.797 -4.359 1.00 0.00 C ATOM 749 C GLY A 49 -25.122 -12.973 -3.727 1.00 0.00 C ATOM 750 O GLY A 49 -25.010 -13.170 -2.519 1.00 0.00 O ATOM 0 H GLY A 49 -25.687 -13.721 -6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -26.709 -11.737 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -27.270 -13.177 -3.681 1.00 0.00 H new ATOM 754 N ILE A 50 -24.106 -12.896 -4.573 1.00 0.00 N ATOM 755 CA ILE A 50 -22.736 -13.044 -4.112 1.00 0.00 C ATOM 756 C ILE A 50 -21.897 -11.879 -4.640 1.00 0.00 C ATOM 757 O ILE A 50 -22.251 -11.256 -5.639 1.00 0.00 O ATOM 758 CB ILE A 50 -22.188 -14.420 -4.496 1.00 0.00 C ATOM 759 CG1 ILE A 50 -22.938 -15.533 -3.761 1.00 0.00 C ATOM 760 CG2 ILE A 50 -20.677 -14.494 -4.260 1.00 0.00 C ATOM 761 CD1 ILE A 50 -23.060 -16.782 -4.636 1.00 0.00 C ATOM 0 H ILE A 50 -24.204 -12.733 -5.575 1.00 0.00 H new ATOM 0 HA ILE A 50 -22.693 -13.001 -3.024 1.00 0.00 H new ATOM 0 HB ILE A 50 -22.355 -14.569 -5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -22.414 -15.781 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -23.931 -15.183 -3.480 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -20.313 -15.482 -4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -20.177 -13.738 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -20.464 -14.315 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -23.597 -17.558 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -23.605 -16.536 -5.547 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -22.065 -17.143 -4.895 1.00 0.00 H new ATOM 773 N LYS A 51 -20.798 -11.620 -3.945 1.00 0.00 N ATOM 774 CA LYS A 51 -19.906 -10.541 -4.330 1.00 0.00 C ATOM 775 C LYS A 51 -18.456 -11.009 -4.189 1.00 0.00 C ATOM 776 O LYS A 51 -18.195 -12.069 -3.621 1.00 0.00 O ATOM 777 CB LYS A 51 -20.223 -9.273 -3.536 1.00 0.00 C ATOM 778 CG LYS A 51 -21.622 -8.751 -3.870 1.00 0.00 C ATOM 779 CD LYS A 51 -22.555 -8.870 -2.664 1.00 0.00 C ATOM 780 CE LYS A 51 -23.997 -9.123 -3.110 1.00 0.00 C ATOM 781 NZ LYS A 51 -24.949 -8.547 -2.134 1.00 0.00 N ATOM 0 H LYS A 51 -20.506 -12.140 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.056 -10.278 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.154 -9.482 -2.468 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.482 -8.505 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -21.560 -7.709 -4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.033 -9.313 -4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.221 -9.684 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.509 -7.956 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.163 -8.682 -4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.171 -10.195 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.923 -8.727 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.801 -8.987 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.793 -7.521 -2.061 1.00 0.00 H new ATOM 795 N LYS A 52 -17.551 -10.196 -4.715 1.00 0.00 N ATOM 796 CA LYS A 52 -16.135 -10.515 -4.654 1.00 0.00 C ATOM 797 C LYS A 52 -15.523 -9.861 -3.414 1.00 0.00 C ATOM 798 O LYS A 52 -15.644 -8.653 -3.221 1.00 0.00 O ATOM 799 CB LYS A 52 -15.441 -10.123 -5.961 1.00 0.00 C ATOM 800 CG LYS A 52 -14.871 -11.354 -6.669 1.00 0.00 C ATOM 801 CD LYS A 52 -14.003 -10.947 -7.862 1.00 0.00 C ATOM 802 CE LYS A 52 -14.824 -10.913 -9.151 1.00 0.00 C ATOM 803 NZ LYS A 52 -14.857 -12.252 -9.781 1.00 0.00 N ATOM 0 H LYS A 52 -17.771 -9.318 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 52 -15.991 -11.591 -4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.150 -9.618 -6.616 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.639 -9.415 -5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.278 -11.940 -5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.686 -11.993 -7.009 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.565 -9.966 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.177 -11.649 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -15.839 -10.582 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.394 -10.189 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.419 -12.211 -10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.888 -12.554 -10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.288 -12.934 -9.125 1.00 0.00 H new ATOM 817 N LEU A 53 -14.879 -10.690 -2.604 1.00 0.00 N ATOM 818 CA LEU A 53 -14.247 -10.208 -1.388 1.00 0.00 C ATOM 819 C LEU A 53 -12.847 -9.687 -1.716 1.00 0.00 C ATOM 820 O LEU A 53 -11.852 -10.226 -1.238 1.00 0.00 O ATOM 821 CB LEU A 53 -14.262 -11.293 -0.311 1.00 0.00 C ATOM 822 CG LEU A 53 -14.904 -10.907 1.024 1.00 0.00 C ATOM 823 CD1 LEU A 53 -13.995 -9.967 1.817 1.00 0.00 C ATOM 824 CD2 LEU A 53 -16.296 -10.311 0.809 1.00 0.00 C ATOM 0 H LEU A 53 -14.782 -11.692 -2.767 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.809 -9.371 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.788 -12.162 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.234 -11.602 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.029 -11.812 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.474 -9.708 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.045 -10.462 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.817 -9.060 1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.731 -10.045 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.218 -9.419 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.933 -11.044 0.313 1.00 0.00 H new ATOM 836 N GLN A 54 -12.815 -8.643 -2.532 1.00 0.00 N ATOM 837 CA GLN A 54 -11.553 -8.043 -2.931 1.00 0.00 C ATOM 838 C GLN A 54 -11.177 -6.912 -1.972 1.00 0.00 C ATOM 839 O GLN A 54 -12.027 -6.109 -1.590 1.00 0.00 O ATOM 840 CB GLN A 54 -11.618 -7.540 -4.375 1.00 0.00 C ATOM 841 CG GLN A 54 -10.351 -6.764 -4.742 1.00 0.00 C ATOM 842 CD GLN A 54 -9.764 -7.266 -6.063 1.00 0.00 C ATOM 843 OE1 GLN A 54 -8.892 -8.119 -6.101 1.00 0.00 O ATOM 844 NE2 GLN A 54 -10.290 -6.691 -7.141 1.00 0.00 N ATOM 0 H GLN A 54 -13.643 -8.197 -2.928 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.777 -8.807 -2.882 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.741 -8.385 -5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.491 -6.900 -4.502 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.581 -5.702 -4.823 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.612 -6.870 -3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.017 -5.983 -7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.966 -6.958 -8.071 1.00 0.00 H new ATOM 853 N ILE A 55 -9.903 -6.885 -1.611 1.00 0.00 N ATOM 854 CA ILE A 55 -9.403 -5.866 -0.704 1.00 0.00 C ATOM 855 C ILE A 55 -7.955 -5.533 -1.065 1.00 0.00 C ATOM 856 O ILE A 55 -7.261 -6.344 -1.678 1.00 0.00 O ATOM 857 CB ILE A 55 -9.589 -6.305 0.750 1.00 0.00 C ATOM 858 CG1 ILE A 55 -8.370 -7.085 1.248 1.00 0.00 C ATOM 859 CG2 ILE A 55 -10.885 -7.098 0.922 1.00 0.00 C ATOM 860 CD1 ILE A 55 -8.371 -8.513 0.699 1.00 0.00 C ATOM 0 H ILE A 55 -9.201 -7.553 -1.930 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.978 -4.946 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.674 -5.411 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.457 -6.574 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.370 -7.111 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -10.993 -7.398 1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.733 -6.476 0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.855 -7.986 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.494 -9.045 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.273 -9.028 1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.346 -8.484 -0.390 1.00 0.00 H new ATOM 872 N GLN A 56 -7.539 -4.339 -0.671 1.00 0.00 N ATOM 873 CA GLN A 56 -6.185 -3.888 -0.944 1.00 0.00 C ATOM 874 C GLN A 56 -5.472 -3.523 0.359 1.00 0.00 C ATOM 875 O GLN A 56 -6.090 -2.999 1.283 1.00 0.00 O ATOM 876 CB GLN A 56 -6.186 -2.708 -1.917 1.00 0.00 C ATOM 877 CG GLN A 56 -4.823 -2.014 -1.940 1.00 0.00 C ATOM 878 CD GLN A 56 -4.823 -0.774 -1.043 1.00 0.00 C ATOM 879 OE1 GLN A 56 -5.858 -0.249 -0.667 1.00 0.00 O ATOM 880 NE2 GLN A 56 -3.609 -0.337 -0.724 1.00 0.00 N ATOM 0 H GLN A 56 -8.117 -3.669 -0.164 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.640 -4.706 -1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.436 -3.058 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.957 -1.994 -1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.052 -2.708 -1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.574 -1.728 -2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.784 -0.824 -1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.503 0.485 -0.130 1.00 0.00 H new ATOM 889 N CYS A 57 -4.180 -3.817 0.392 1.00 0.00 N ATOM 890 CA CYS A 57 -3.377 -3.527 1.567 1.00 0.00 C ATOM 891 C CYS A 57 -1.959 -3.182 1.106 1.00 0.00 C ATOM 892 O CYS A 57 -1.533 -3.600 0.031 1.00 0.00 O ATOM 893 CB CYS A 57 -3.386 -4.690 2.561 1.00 0.00 C ATOM 894 SG CYS A 57 -3.569 -6.275 1.666 1.00 0.00 S ATOM 0 H CYS A 57 -3.670 -4.253 -0.376 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.803 -2.677 2.100 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.461 -4.693 3.138 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.204 -4.567 3.271 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.724 -6.802 1.948 1.00 0.00 H new ATOM 900 N VAL A 58 -1.268 -2.421 1.943 1.00 0.00 N ATOM 901 CA VAL A 58 0.093 -2.015 1.634 1.00 0.00 C ATOM 902 C VAL A 58 1.063 -2.759 2.554 1.00 0.00 C ATOM 903 O VAL A 58 1.573 -2.189 3.517 1.00 0.00 O ATOM 904 CB VAL A 58 0.221 -0.494 1.736 1.00 0.00 C ATOM 905 CG1 VAL A 58 1.585 -0.023 1.228 1.00 0.00 C ATOM 906 CG2 VAL A 58 -0.915 0.203 0.985 1.00 0.00 C ATOM 0 H VAL A 58 -1.625 -2.075 2.834 1.00 0.00 H new ATOM 0 HA VAL A 58 0.348 -2.281 0.608 1.00 0.00 H new ATOM 0 HB VAL A 58 0.144 -0.221 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.650 1.062 1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.374 -0.481 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.705 -0.314 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.800 1.283 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.883 -0.081 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.872 -0.097 1.413 1.00 0.00 H new ATOM 916 N VAL A 59 1.290 -4.022 2.224 1.00 0.00 N ATOM 917 CA VAL A 59 2.190 -4.851 3.009 1.00 0.00 C ATOM 918 C VAL A 59 3.629 -4.610 2.549 1.00 0.00 C ATOM 919 O VAL A 59 3.857 -4.029 1.488 1.00 0.00 O ATOM 920 CB VAL A 59 1.769 -6.318 2.911 1.00 0.00 C ATOM 921 CG1 VAL A 59 0.247 -6.458 2.975 1.00 0.00 C ATOM 922 CG2 VAL A 59 2.327 -6.965 1.642 1.00 0.00 C ATOM 0 H VAL A 59 0.866 -4.492 1.424 1.00 0.00 H new ATOM 0 HA VAL A 59 2.136 -4.581 4.064 1.00 0.00 H new ATOM 0 HB VAL A 59 2.189 -6.845 3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.025 -7.511 2.903 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.116 -6.053 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.204 -5.910 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.013 -8.008 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.951 -6.434 0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.416 -6.914 1.656 1.00 0.00 H new ATOM 932 N GLU A 60 4.564 -5.068 3.368 1.00 0.00 N ATOM 933 CA GLU A 60 5.975 -4.910 3.058 1.00 0.00 C ATOM 934 C GLU A 60 6.445 -6.036 2.136 1.00 0.00 C ATOM 935 O GLU A 60 5.702 -6.980 1.873 1.00 0.00 O ATOM 936 CB GLU A 60 6.814 -4.860 4.336 1.00 0.00 C ATOM 937 CG GLU A 60 7.506 -3.505 4.485 1.00 0.00 C ATOM 938 CD GLU A 60 9.000 -3.679 4.766 1.00 0.00 C ATOM 939 OE1 GLU A 60 9.462 -4.809 4.983 1.00 0.00 O ATOM 940 OE2 GLU A 60 9.689 -2.588 4.752 1.00 0.00 O ATOM 0 H GLU A 60 4.372 -5.549 4.247 1.00 0.00 H new ATOM 0 HA GLU A 60 6.109 -3.962 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.177 -5.044 5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.561 -5.654 4.316 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.369 -2.921 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.043 -2.944 5.296 1.00 0.00 H new ATOM 947 N ASP A 61 7.678 -5.900 1.670 1.00 0.00 N ATOM 948 CA ASP A 61 8.257 -6.895 0.782 1.00 0.00 C ATOM 949 C ASP A 61 9.596 -7.363 1.353 1.00 0.00 C ATOM 950 O ASP A 61 10.310 -8.138 0.717 1.00 0.00 O ATOM 951 CB ASP A 61 8.514 -6.309 -0.607 1.00 0.00 C ATOM 952 CG ASP A 61 7.408 -6.568 -1.633 1.00 0.00 C ATOM 953 OD1 ASP A 61 6.598 -7.525 -1.332 1.00 0.00 O ATOM 954 OD2 ASP A 61 7.325 -5.890 -2.668 1.00 0.00 O ATOM 0 H ASP A 61 8.292 -5.116 1.890 1.00 0.00 H new ATOM 0 HA ASP A 61 7.554 -7.724 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.654 -5.232 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.448 -6.719 -0.991 1.00 0.00 H new ATOM 959 N ASP A 62 9.899 -6.874 2.547 1.00 0.00 N ATOM 960 CA ASP A 62 11.141 -7.233 3.210 1.00 0.00 C ATOM 961 C ASP A 62 10.907 -8.465 4.087 1.00 0.00 C ATOM 962 O ASP A 62 11.434 -9.540 3.804 1.00 0.00 O ATOM 963 CB ASP A 62 11.631 -6.098 4.111 1.00 0.00 C ATOM 964 CG ASP A 62 13.149 -6.022 4.286 1.00 0.00 C ATOM 965 OD1 ASP A 62 13.902 -5.951 3.303 1.00 0.00 O ATOM 966 OD2 ASP A 62 13.558 -6.036 5.509 1.00 0.00 O ATOM 0 H ASP A 62 9.305 -6.232 3.072 1.00 0.00 H new ATOM 0 HA ASP A 62 11.889 -7.433 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.280 -5.151 3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.172 -6.210 5.093 1.00 0.00 H new ATOM 971 N LYS A 63 10.118 -8.268 5.132 1.00 0.00 N ATOM 972 CA LYS A 63 9.809 -9.350 6.051 1.00 0.00 C ATOM 973 C LYS A 63 8.319 -9.686 5.954 1.00 0.00 C ATOM 974 O LYS A 63 7.908 -10.802 6.268 1.00 0.00 O ATOM 975 CB LYS A 63 10.269 -8.998 7.467 1.00 0.00 C ATOM 976 CG LYS A 63 11.331 -9.985 7.959 1.00 0.00 C ATOM 977 CD LYS A 63 12.371 -9.280 8.831 1.00 0.00 C ATOM 978 CE LYS A 63 12.362 -9.837 10.256 1.00 0.00 C ATOM 979 NZ LYS A 63 13.575 -10.647 10.503 1.00 0.00 N ATOM 0 H LYS A 63 9.683 -7.375 5.363 1.00 0.00 H new ATOM 0 HA LYS A 63 10.358 -10.251 5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.673 -7.986 7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.415 -9.009 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.855 -10.783 8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.823 -10.451 7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.362 -9.405 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.166 -8.210 8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.313 -9.017 10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.472 -10.448 10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.553 -11.018 11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.606 -11.440 9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.420 -10.054 10.378 1.00 0.00 H new ATOM 993 N VAL A 64 7.550 -8.699 5.519 1.00 0.00 N ATOM 994 CA VAL A 64 6.115 -8.876 5.377 1.00 0.00 C ATOM 995 C VAL A 64 5.817 -9.529 4.025 1.00 0.00 C ATOM 996 O VAL A 64 6.571 -9.357 3.068 1.00 0.00 O ATOM 997 CB VAL A 64 5.401 -7.535 5.562 1.00 0.00 C ATOM 998 CG1 VAL A 64 3.884 -7.723 5.612 1.00 0.00 C ATOM 999 CG2 VAL A 64 5.906 -6.814 6.813 1.00 0.00 C ATOM 0 H VAL A 64 7.894 -7.774 5.260 1.00 0.00 H new ATOM 0 HA VAL A 64 5.734 -9.542 6.152 1.00 0.00 H new ATOM 0 HB VAL A 64 5.632 -6.911 4.699 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.402 -6.755 5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.542 -8.175 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.625 -8.374 6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.383 -5.864 6.922 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.719 -7.433 7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.976 -6.630 6.720 1.00 0.00 H new ATOM 1009 N GLY A 65 4.715 -10.265 3.991 1.00 0.00 N ATOM 1010 CA GLY A 65 4.309 -10.946 2.772 1.00 0.00 C ATOM 1011 C GLY A 65 2.830 -11.335 2.829 1.00 0.00 C ATOM 1012 O GLY A 65 2.195 -11.224 3.877 1.00 0.00 O ATOM 0 H GLY A 65 4.092 -10.405 4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.486 -10.299 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.918 -11.838 2.629 1.00 0.00 H new ATOM 1016 N THR A 66 2.324 -11.783 1.690 1.00 0.00 N ATOM 1017 CA THR A 66 0.933 -12.189 1.597 1.00 0.00 C ATOM 1018 C THR A 66 0.717 -13.522 2.317 1.00 0.00 C ATOM 1019 O THR A 66 -0.387 -13.812 2.775 1.00 0.00 O ATOM 1020 CB THR A 66 0.550 -12.230 0.116 1.00 0.00 C ATOM 1021 OG1 THR A 66 0.251 -10.874 -0.203 1.00 0.00 O ATOM 1022 CG2 THR A 66 -0.767 -12.969 -0.128 1.00 0.00 C ATOM 0 H THR A 66 2.853 -11.874 0.823 1.00 0.00 H new ATOM 0 HA THR A 66 0.279 -11.475 2.097 1.00 0.00 H new ATOM 0 HB THR A 66 1.347 -12.711 -0.451 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.001 -10.481 -0.697 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.992 -12.969 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.678 -13.997 0.224 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.571 -12.469 0.412 1.00 0.00 H new ATOM 1030 N ASP A 67 1.789 -14.297 2.394 1.00 0.00 N ATOM 1031 CA ASP A 67 1.731 -15.591 3.052 1.00 0.00 C ATOM 1032 C ASP A 67 0.959 -15.457 4.365 1.00 0.00 C ATOM 1033 O ASP A 67 -0.176 -15.916 4.472 1.00 0.00 O ATOM 1034 CB ASP A 67 3.133 -16.107 3.377 1.00 0.00 C ATOM 1035 CG ASP A 67 4.199 -15.022 3.547 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.302 -14.095 2.730 1.00 0.00 O ATOM 1037 OD2 ASP A 67 4.953 -15.157 4.585 1.00 0.00 O ATOM 0 H ASP A 67 2.703 -14.054 2.012 1.00 0.00 H new ATOM 0 HA ASP A 67 1.238 -16.290 2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.084 -16.694 4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.448 -16.783 2.582 1.00 0.00 H new ATOM 1042 N MET A 68 1.608 -14.826 5.334 1.00 0.00 N ATOM 1043 CA MET A 68 0.997 -14.626 6.636 1.00 0.00 C ATOM 1044 C MET A 68 -0.462 -14.186 6.496 1.00 0.00 C ATOM 1045 O MET A 68 -1.373 -14.912 6.889 1.00 0.00 O ATOM 1046 CB MET A 68 1.780 -13.563 7.410 1.00 0.00 C ATOM 1047 CG MET A 68 1.721 -13.825 8.916 1.00 0.00 C ATOM 1048 SD MET A 68 0.996 -12.425 9.752 1.00 0.00 S ATOM 1049 CE MET A 68 -0.678 -13.014 9.950 1.00 0.00 C ATOM 0 H MET A 68 2.551 -14.447 5.242 1.00 0.00 H new ATOM 0 HA MET A 68 1.021 -15.572 7.177 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.818 -13.558 7.079 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.372 -12.576 7.193 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.134 -14.722 9.115 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.724 -14.009 9.301 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.376 -12.241 9.630 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.823 -13.908 9.343 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.858 -13.254 10.998 1.00 0.00 H new ATOM 1059 N LEU A 69 -0.636 -12.998 5.936 1.00 0.00 N ATOM 1060 CA LEU A 69 -1.969 -12.452 5.739 1.00 0.00 C ATOM 1061 C LEU A 69 -2.885 -13.544 5.182 1.00 0.00 C ATOM 1062 O LEU A 69 -4.000 -13.730 5.668 1.00 0.00 O ATOM 1063 CB LEU A 69 -1.910 -11.195 4.869 1.00 0.00 C ATOM 1064 CG LEU A 69 -1.434 -9.919 5.566 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -1.292 -8.770 4.566 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -2.356 -9.554 6.731 1.00 0.00 C ATOM 0 H LEU A 69 0.123 -12.398 5.612 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.395 -12.133 6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.249 -11.392 4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.904 -11.013 4.460 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.445 -10.106 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.952 -7.875 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.566 -9.042 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.257 -8.574 4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.995 -8.643 7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.367 -9.392 6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.364 -10.367 7.457 1.00 0.00 H new ATOM 1078 N GLU A 70 -2.381 -14.236 4.172 1.00 0.00 N ATOM 1079 CA GLU A 70 -3.141 -15.304 3.544 1.00 0.00 C ATOM 1080 C GLU A 70 -3.447 -16.406 4.560 1.00 0.00 C ATOM 1081 O GLU A 70 -4.594 -16.829 4.696 1.00 0.00 O ATOM 1082 CB GLU A 70 -2.396 -15.867 2.332 1.00 0.00 C ATOM 1083 CG GLU A 70 -3.147 -17.057 1.731 1.00 0.00 C ATOM 1084 CD GLU A 70 -2.197 -17.968 0.951 1.00 0.00 C ATOM 1085 OE1 GLU A 70 -1.636 -17.549 -0.073 1.00 0.00 O ATOM 1086 OE2 GLU A 70 -2.048 -19.150 1.445 1.00 0.00 O ATOM 0 H GLU A 70 -1.456 -14.079 3.772 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.086 -14.892 3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.279 -15.088 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.394 -16.177 2.628 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.631 -17.625 2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.936 -16.698 1.070 1.00 0.00 H new ATOM 1093 N GLU A 71 -2.401 -16.841 5.247 1.00 0.00 N ATOM 1094 CA GLU A 71 -2.543 -17.886 6.246 1.00 0.00 C ATOM 1095 C GLU A 71 -3.530 -17.451 7.332 1.00 0.00 C ATOM 1096 O GLU A 71 -3.992 -18.273 8.121 1.00 0.00 O ATOM 1097 CB GLU A 71 -1.187 -18.252 6.853 1.00 0.00 C ATOM 1098 CG GLU A 71 -0.592 -19.480 6.163 1.00 0.00 C ATOM 1099 CD GLU A 71 -0.898 -20.756 6.950 1.00 0.00 C ATOM 1100 OE1 GLU A 71 -1.136 -20.691 8.166 1.00 0.00 O ATOM 1101 OE2 GLU A 71 -0.884 -21.842 6.256 1.00 0.00 O ATOM 0 H GLU A 71 -1.451 -16.488 5.131 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.938 -18.777 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.502 -17.409 6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.303 -18.450 7.919 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.996 -19.566 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.487 -19.359 6.065 1.00 0.00 H new ATOM 1108 N GLN A 72 -3.824 -16.159 7.337 1.00 0.00 N ATOM 1109 CA GLN A 72 -4.748 -15.605 8.311 1.00 0.00 C ATOM 1110 C GLN A 72 -6.123 -15.388 7.676 1.00 0.00 C ATOM 1111 O GLN A 72 -7.141 -15.795 8.235 1.00 0.00 O ATOM 1112 CB GLN A 72 -4.206 -14.303 8.903 1.00 0.00 C ATOM 1113 CG GLN A 72 -5.086 -13.815 10.055 1.00 0.00 C ATOM 1114 CD GLN A 72 -4.238 -13.431 11.270 1.00 0.00 C ATOM 1115 OE1 GLN A 72 -3.254 -12.718 11.172 1.00 0.00 O ATOM 1116 NE2 GLN A 72 -4.674 -13.944 12.417 1.00 0.00 N ATOM 0 H GLN A 72 -3.438 -15.480 6.681 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.855 -16.320 9.127 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.188 -14.458 9.259 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -4.160 -13.539 8.127 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.672 -12.955 9.730 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.793 -14.596 10.333 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.506 -14.534 12.428 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.176 -13.747 13.285 1.00 0.00 H new ATOM 1125 N ILE A 73 -6.109 -14.745 6.517 1.00 0.00 N ATOM 1126 CA ILE A 73 -7.341 -14.469 5.800 1.00 0.00 C ATOM 1127 C ILE A 73 -7.954 -15.785 5.320 1.00 0.00 C ATOM 1128 O ILE A 73 -9.102 -16.093 5.636 1.00 0.00 O ATOM 1129 CB ILE A 73 -7.094 -13.459 4.677 1.00 0.00 C ATOM 1130 CG1 ILE A 73 -6.346 -12.231 5.199 1.00 0.00 C ATOM 1131 CG2 ILE A 73 -8.402 -13.082 3.981 1.00 0.00 C ATOM 1132 CD1 ILE A 73 -5.413 -11.661 4.129 1.00 0.00 C ATOM 0 H ILE A 73 -5.263 -14.408 6.057 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.069 -14.002 6.463 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.456 -13.929 3.928 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.062 -11.468 5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.769 -12.501 6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.198 -12.363 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.857 -13.975 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.085 -12.638 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.894 -10.789 4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.683 -12.418 3.842 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.996 -11.369 3.256 1.00 0.00 H new ATOM 1144 N THR A 74 -7.160 -16.529 4.562 1.00 0.00 N ATOM 1145 CA THR A 74 -7.609 -17.806 4.035 1.00 0.00 C ATOM 1146 C THR A 74 -7.685 -18.848 5.153 1.00 0.00 C ATOM 1147 O THR A 74 -8.153 -19.964 4.935 1.00 0.00 O ATOM 1148 CB THR A 74 -6.669 -18.204 2.896 1.00 0.00 C ATOM 1149 OG1 THR A 74 -5.506 -18.693 3.560 1.00 0.00 O ATOM 1150 CG2 THR A 74 -6.164 -16.997 2.104 1.00 0.00 C ATOM 0 H THR A 74 -6.208 -16.271 4.301 1.00 0.00 H new ATOM 0 HA THR A 74 -8.619 -17.734 3.632 1.00 0.00 H new ATOM 0 HB THR A 74 -7.185 -18.890 2.224 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.281 -18.099 4.306 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.501 -17.336 1.308 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.011 -16.467 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.619 -16.327 2.769 1.00 0.00 H new ATOM 1158 N ALA A 75 -7.218 -18.445 6.326 1.00 0.00 N ATOM 1159 CA ALA A 75 -7.228 -19.330 7.478 1.00 0.00 C ATOM 1160 C ALA A 75 -8.669 -19.739 7.789 1.00 0.00 C ATOM 1161 O ALA A 75 -8.902 -20.745 8.459 1.00 0.00 O ATOM 1162 CB ALA A 75 -6.551 -18.635 8.661 1.00 0.00 C ATOM 0 H ALA A 75 -6.831 -17.518 6.503 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.665 -20.240 7.268 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.558 -19.299 9.526 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.521 -18.391 8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.090 -17.719 8.902 1.00 0.00 H new ATOM 1168 N PHE A 76 -9.599 -18.939 7.290 1.00 0.00 N ATOM 1169 CA PHE A 76 -11.011 -19.205 7.507 1.00 0.00 C ATOM 1170 C PHE A 76 -11.607 -19.986 6.334 1.00 0.00 C ATOM 1171 O PHE A 76 -12.174 -19.397 5.415 1.00 0.00 O ATOM 1172 CB PHE A 76 -11.711 -17.849 7.609 1.00 0.00 C ATOM 1173 CG PHE A 76 -12.201 -17.507 9.017 1.00 0.00 C ATOM 1174 CD1 PHE A 76 -12.900 -18.425 9.736 1.00 0.00 C ATOM 1175 CD2 PHE A 76 -11.936 -16.284 9.551 1.00 0.00 C ATOM 1176 CE1 PHE A 76 -13.355 -18.108 11.044 1.00 0.00 C ATOM 1177 CE2 PHE A 76 -12.391 -15.967 10.859 1.00 0.00 C ATOM 1178 CZ PHE A 76 -13.090 -16.885 11.578 1.00 0.00 C ATOM 0 H PHE A 76 -9.402 -18.106 6.736 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.143 -19.800 8.411 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.024 -17.071 7.275 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.561 -17.838 6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.110 -19.396 9.312 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.380 -15.555 8.981 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.911 -18.837 11.614 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.181 -14.996 11.283 1.00 0.00 H new ATOM 0 HZ PHE A 76 -13.435 -16.644 12.573 1.00 0.00 H new ATOM 1188 N GLU A 77 -11.460 -21.301 6.404 1.00 0.00 N ATOM 1189 CA GLU A 77 -11.977 -22.168 5.360 1.00 0.00 C ATOM 1190 C GLU A 77 -13.481 -22.381 5.542 1.00 0.00 C ATOM 1191 O GLU A 77 -14.126 -23.024 4.715 1.00 0.00 O ATOM 1192 CB GLU A 77 -11.233 -23.506 5.339 1.00 0.00 C ATOM 1193 CG GLU A 77 -10.150 -23.515 4.259 1.00 0.00 C ATOM 1194 CD GLU A 77 -9.646 -24.936 3.999 1.00 0.00 C ATOM 1195 OE1 GLU A 77 -10.211 -25.901 4.535 1.00 0.00 O ATOM 1196 OE2 GLU A 77 -8.630 -25.018 3.209 1.00 0.00 O ATOM 0 H GLU A 77 -10.990 -21.787 7.168 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.812 -21.682 4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.781 -23.690 6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.939 -24.316 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.548 -23.092 3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.319 -22.881 4.568 1.00 0.00 H new ATOM 1203 N ASP A 78 -13.997 -21.828 6.631 1.00 0.00 N ATOM 1204 CA ASP A 78 -15.413 -21.949 6.933 1.00 0.00 C ATOM 1205 C ASP A 78 -16.154 -20.731 6.377 1.00 0.00 C ATOM 1206 O ASP A 78 -17.315 -20.502 6.710 1.00 0.00 O ATOM 1207 CB ASP A 78 -15.651 -21.999 8.443 1.00 0.00 C ATOM 1208 CG ASP A 78 -15.981 -23.386 9.000 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -17.209 -23.753 8.859 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -15.107 -24.080 9.542 1.00 0.00 O ATOM 0 H ASP A 78 -13.459 -21.295 7.315 1.00 0.00 H new ATOM 0 HA ASP A 78 -15.778 -22.871 6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.761 -21.623 8.949 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.468 -21.321 8.690 1.00 0.00 H new ATOM 1215 N TYR A 79 -15.451 -19.983 5.540 1.00 0.00 N ATOM 1216 CA TYR A 79 -16.028 -18.794 4.935 1.00 0.00 C ATOM 1217 C TYR A 79 -15.432 -18.540 3.549 1.00 0.00 C ATOM 1218 O TYR A 79 -16.156 -18.227 2.605 1.00 0.00 O ATOM 1219 CB TYR A 79 -15.659 -17.630 5.857 1.00 0.00 C ATOM 1220 CG TYR A 79 -16.431 -17.613 7.178 1.00 0.00 C ATOM 1221 CD1 TYR A 79 -17.701 -17.075 7.227 1.00 0.00 C ATOM 1222 CD2 TYR A 79 -15.858 -18.137 8.318 1.00 0.00 C ATOM 1223 CE1 TYR A 79 -18.427 -17.058 8.470 1.00 0.00 C ATOM 1224 CE2 TYR A 79 -16.585 -18.120 9.561 1.00 0.00 C ATOM 1225 CZ TYR A 79 -17.834 -17.582 9.576 1.00 0.00 C ATOM 1226 OH TYR A 79 -18.520 -17.566 10.750 1.00 0.00 O ATOM 0 H TYR A 79 -14.488 -20.177 5.266 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.106 -18.908 4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -14.591 -17.675 6.073 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -15.839 -16.692 5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -18.150 -16.667 6.333 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.865 -18.560 8.278 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -19.421 -16.638 8.523 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.148 -18.526 10.462 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.974 -17.974 11.454 1.00 0.00 H new ATOM 1236 N VAL A 80 -14.118 -18.685 3.469 1.00 0.00 N ATOM 1237 CA VAL A 80 -13.415 -18.475 2.215 1.00 0.00 C ATOM 1238 C VAL A 80 -13.469 -19.759 1.385 1.00 0.00 C ATOM 1239 O VAL A 80 -13.126 -20.834 1.875 1.00 0.00 O ATOM 1240 CB VAL A 80 -11.987 -17.997 2.487 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -11.216 -17.803 1.180 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -11.988 -16.714 3.320 1.00 0.00 C ATOM 0 H VAL A 80 -13.521 -18.946 4.254 1.00 0.00 H new ATOM 0 HA VAL A 80 -13.899 -17.691 1.633 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.479 -18.770 3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.204 -17.463 1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.171 -18.749 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -11.723 -17.059 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.961 -16.396 3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.522 -15.931 2.782 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.482 -16.900 4.274 1.00 0.00 H new ATOM 1252 N GLN A 81 -13.900 -19.605 0.142 1.00 0.00 N ATOM 1253 CA GLN A 81 -14.003 -20.739 -0.761 1.00 0.00 C ATOM 1254 C GLN A 81 -12.654 -21.009 -1.429 1.00 0.00 C ATOM 1255 O GLN A 81 -12.294 -22.162 -1.666 1.00 0.00 O ATOM 1256 CB GLN A 81 -15.096 -20.510 -1.807 1.00 0.00 C ATOM 1257 CG GLN A 81 -15.496 -21.825 -2.478 1.00 0.00 C ATOM 1258 CD GLN A 81 -15.606 -21.656 -3.994 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -16.585 -21.152 -4.519 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -14.550 -22.105 -4.667 1.00 0.00 N ATOM 0 H GLN A 81 -14.182 -18.712 -0.262 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.281 -21.618 -0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.968 -20.059 -1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.742 -19.806 -2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.759 -22.594 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.450 -22.167 -2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.763 -22.516 -4.165 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.528 -22.038 -5.685 1.00 0.00 H new ATOM 1269 N SER A 82 -11.943 -19.928 -1.714 1.00 0.00 N ATOM 1270 CA SER A 82 -10.641 -20.034 -2.350 1.00 0.00 C ATOM 1271 C SER A 82 -10.014 -18.646 -2.493 1.00 0.00 C ATOM 1272 O SER A 82 -10.665 -17.712 -2.959 1.00 0.00 O ATOM 1273 CB SER A 82 -10.749 -20.711 -3.718 1.00 0.00 C ATOM 1274 OG SER A 82 -10.725 -22.132 -3.613 1.00 0.00 O ATOM 0 H SER A 82 -12.244 -18.974 -1.516 1.00 0.00 H new ATOM 0 HA SER A 82 -10.002 -20.651 -1.719 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.673 -20.399 -4.205 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.927 -20.380 -4.352 1.00 0.00 H new ATOM 0 HG SER A 82 -11.549 -22.442 -3.183 1.00 0.00 H new ATOM 1280 N MET A 83 -8.757 -18.555 -2.086 1.00 0.00 N ATOM 1281 CA MET A 83 -8.035 -17.296 -2.163 1.00 0.00 C ATOM 1282 C MET A 83 -7.040 -17.304 -3.326 1.00 0.00 C ATOM 1283 O MET A 83 -6.547 -18.361 -3.717 1.00 0.00 O ATOM 1284 CB MET A 83 -7.284 -17.057 -0.851 1.00 0.00 C ATOM 1285 CG MET A 83 -6.310 -15.884 -0.983 1.00 0.00 C ATOM 1286 SD MET A 83 -4.744 -16.460 -1.617 1.00 0.00 S ATOM 1287 CE MET A 83 -3.654 -15.235 -0.911 1.00 0.00 C ATOM 0 H MET A 83 -8.220 -19.332 -1.702 1.00 0.00 H new ATOM 0 HA MET A 83 -8.756 -16.496 -2.331 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.997 -16.854 -0.051 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.738 -17.958 -0.571 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.726 -15.128 -1.650 1.00 0.00 H new ATOM 0 HG3 MET A 83 -6.166 -15.409 -0.013 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.685 -15.688 -0.700 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.525 -14.413 -1.616 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.085 -14.854 0.015 1.00 0.00 H new ATOM 1297 N ASP A 84 -6.777 -16.115 -3.846 1.00 0.00 N ATOM 1298 CA ASP A 84 -5.851 -15.972 -4.956 1.00 0.00 C ATOM 1299 C ASP A 84 -5.264 -14.560 -4.947 1.00 0.00 C ATOM 1300 O ASP A 84 -5.499 -13.792 -4.015 1.00 0.00 O ATOM 1301 CB ASP A 84 -6.560 -16.181 -6.296 1.00 0.00 C ATOM 1302 CG ASP A 84 -6.603 -17.630 -6.786 1.00 0.00 C ATOM 1303 OD1 ASP A 84 -5.491 -18.077 -7.260 1.00 0.00 O ATOM 1304 OD2 ASP A 84 -7.647 -18.295 -6.719 1.00 0.00 O ATOM 0 H ASP A 84 -7.189 -15.241 -3.519 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.069 -16.723 -4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.582 -15.812 -6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.063 -15.572 -7.052 1.00 0.00 H new ATOM 1309 N VAL A 85 -4.511 -14.259 -5.995 1.00 0.00 N ATOM 1310 CA VAL A 85 -3.888 -12.952 -6.119 1.00 0.00 C ATOM 1311 C VAL A 85 -4.571 -12.172 -7.245 1.00 0.00 C ATOM 1312 O VAL A 85 -4.754 -12.694 -8.344 1.00 0.00 O ATOM 1313 CB VAL A 85 -2.381 -13.107 -6.328 1.00 0.00 C ATOM 1314 CG1 VAL A 85 -1.791 -11.874 -7.013 1.00 0.00 C ATOM 1315 CG2 VAL A 85 -1.671 -13.391 -5.003 1.00 0.00 C ATOM 0 H VAL A 85 -4.318 -14.898 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.017 -12.379 -5.201 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.221 -13.962 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.718 -12.012 -7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.265 -11.736 -7.985 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.968 -10.994 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.601 -13.497 -5.179 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.845 -12.566 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.061 -14.313 -4.572 1.00 0.00 H new ATOM 1325 N ALA A 86 -4.927 -10.935 -6.933 1.00 0.00 N ATOM 1326 CA ALA A 86 -5.585 -10.078 -7.905 1.00 0.00 C ATOM 1327 C ALA A 86 -4.534 -9.228 -8.623 1.00 0.00 C ATOM 1328 O ALA A 86 -4.783 -8.720 -9.715 1.00 0.00 O ATOM 1329 CB ALA A 86 -6.642 -9.225 -7.201 1.00 0.00 C ATOM 0 H ALA A 86 -4.772 -10.505 -6.021 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.097 -10.676 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.135 -8.582 -7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.380 -9.875 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.164 -8.609 -6.439 1.00 0.00 H new ATOM 1335 N ALA A 87 -3.382 -9.101 -7.981 1.00 0.00 N ATOM 1336 CA ALA A 87 -2.293 -8.322 -8.543 1.00 0.00 C ATOM 1337 C ALA A 87 -1.081 -8.400 -7.613 1.00 0.00 C ATOM 1338 O ALA A 87 -1.215 -8.755 -6.443 1.00 0.00 O ATOM 1339 CB ALA A 87 -2.760 -6.884 -8.774 1.00 0.00 C ATOM 0 H ALA A 87 -3.179 -9.525 -7.076 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.992 -8.726 -9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.943 -6.299 -9.196 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.602 -6.882 -9.466 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.068 -6.445 -7.825 1.00 0.00 H new ATOM 1345 N PHE A 88 0.074 -8.062 -8.169 1.00 0.00 N ATOM 1346 CA PHE A 88 1.308 -8.090 -7.402 1.00 0.00 C ATOM 1347 C PHE A 88 2.319 -7.085 -7.957 1.00 0.00 C ATOM 1348 O PHE A 88 3.125 -7.423 -8.823 1.00 0.00 O ATOM 1349 CB PHE A 88 1.885 -9.501 -7.533 1.00 0.00 C ATOM 1350 CG PHE A 88 2.239 -10.155 -6.196 1.00 0.00 C ATOM 1351 CD1 PHE A 88 1.251 -10.572 -5.360 1.00 0.00 C ATOM 1352 CD2 PHE A 88 3.542 -10.318 -5.842 1.00 0.00 C ATOM 1353 CE1 PHE A 88 1.579 -11.178 -4.118 1.00 0.00 C ATOM 1354 CE2 PHE A 88 3.871 -10.925 -4.602 1.00 0.00 C ATOM 1355 CZ PHE A 88 2.883 -11.342 -3.766 1.00 0.00 C ATOM 0 H PHE A 88 0.181 -7.768 -9.140 1.00 0.00 H new ATOM 0 HA PHE A 88 1.107 -7.828 -6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.164 -10.131 -8.054 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.780 -9.460 -8.154 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.216 -10.442 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.327 -9.985 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.794 -11.508 -3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.906 -11.056 -4.322 1.00 0.00 H new ATOM 0 HZ PHE A 88 3.133 -11.804 -2.822 1.00 0.00 H new ATOM 1365 N ASN A 89 2.246 -5.869 -7.435 1.00 0.00 N ATOM 1366 CA ASN A 89 3.144 -4.812 -7.867 1.00 0.00 C ATOM 1367 C ASN A 89 3.503 -3.932 -6.668 1.00 0.00 C ATOM 1368 O ASN A 89 3.099 -4.216 -5.542 1.00 0.00 O ATOM 1369 CB ASN A 89 2.484 -3.926 -8.925 1.00 0.00 C ATOM 1370 CG ASN A 89 2.807 -4.422 -10.336 1.00 0.00 C ATOM 1371 OD1 ASN A 89 3.393 -5.474 -10.533 1.00 0.00 O ATOM 1372 ND2 ASN A 89 2.393 -3.610 -11.303 1.00 0.00 N ATOM 0 H ASN A 89 1.578 -5.592 -6.716 1.00 0.00 H new ATOM 0 HA ASN A 89 4.033 -5.278 -8.292 1.00 0.00 H new ATOM 0 HB2 ASN A 89 1.404 -3.919 -8.777 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.828 -2.898 -8.810 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.560 -3.853 -12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.908 -2.744 -11.069 1.00 0.00 H new ATOM 1379 N LYS A 90 4.257 -2.881 -6.952 1.00 0.00 N ATOM 1380 CA LYS A 90 4.674 -1.957 -5.912 1.00 0.00 C ATOM 1381 C LYS A 90 3.566 -0.929 -5.673 1.00 0.00 C ATOM 1382 O LYS A 90 2.837 -0.533 -6.580 1.00 0.00 O ATOM 1383 CB LYS A 90 6.027 -1.332 -6.260 1.00 0.00 C ATOM 1384 CG LYS A 90 6.139 -1.069 -7.764 1.00 0.00 C ATOM 1385 CD LYS A 90 6.753 -2.270 -8.486 1.00 0.00 C ATOM 1386 CE LYS A 90 6.279 -2.337 -9.939 1.00 0.00 C ATOM 1387 NZ LYS A 90 7.392 -2.020 -10.862 1.00 0.00 N ATOM 0 H LYS A 90 4.590 -2.649 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 90 4.826 -2.487 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.151 -0.397 -5.713 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.831 -1.996 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.151 -0.859 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.751 -0.184 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.840 -2.199 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.480 -3.189 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.891 -3.332 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.460 -1.635 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.053 -2.070 -11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.744 -1.061 -10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.162 -2.706 -10.726 1.00 0.00 H new ATOM 1401 N ILE A 91 3.455 -0.502 -4.413 1.00 0.00 N ATOM 1402 CA ILE A 91 2.456 0.472 -4.020 1.00 0.00 C ATOM 1403 C ILE A 91 2.982 1.879 -4.270 1.00 0.00 C ATOM 1404 O ILE A 91 2.271 2.722 -4.812 1.00 0.00 O ATOM 1405 CB ILE A 91 2.109 0.277 -2.546 1.00 0.00 C ATOM 1406 CG1 ILE A 91 1.174 1.394 -2.091 1.00 0.00 C ATOM 1407 CG2 ILE A 91 3.387 0.313 -1.714 1.00 0.00 C ATOM 1408 CD1 ILE A 91 -0.255 0.864 -2.022 1.00 0.00 C ATOM 1409 OXT ILE A 91 4.124 2.185 -3.928 1.00 0.00 O ATOM 0 H ILE A 91 4.052 -0.822 -3.650 1.00 0.00 H new ATOM 0 HA ILE A 91 1.552 0.333 -4.613 1.00 0.00 H new ATOM 0 HB ILE A 91 1.616 -0.686 -2.413 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.483 1.766 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.229 2.234 -2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 91 3.140 0.174 -0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.055 -0.485 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.881 1.276 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.923 1.661 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.561 0.513 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.303 0.038 -1.312 1.00 0.00 H new