USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 579 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 15 SER OG : rot -100:sc= 1.28 USER MOD Set 1.2: A 64 MET CE :methyl 178:sc= -0.844 (180deg=-0.855) USER MOD Single : A 7 TYR OH : rot -160:sc= 1.25 USER MOD Single : A 8 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.047) USER MOD Single : A 11 GLN : amide:sc= -1.69! C(o=-1.7!,f=-8!) USER MOD Single : A 17 MET CE :methyl 173:sc= -0.236 (180deg=-0.351) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.957 K(o=-0.96,f=-2.3!) USER MOD Single : A 30 ASN : amide:sc=-0.00818 X(o=-0.0082,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot -98:sc= -0.0106 USER MOD Single : A 56 THR OG1 : rot -98:sc= 0.802 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 75:sc= 0.966 USER MOD Single : A 62 TYR OH : rot -40:sc= -2.88! USER MOD Single : A 65 TYR OH : rot 83:sc= 1.26 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 1.29 (180deg=0.763) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.1) USER MOD Single : A 76 SER OG : rot -32:sc= 0.501 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -16:sc= 0.326 USER MOD Single : A 83 LYS NZ :NH3+ 167:sc= 1.31 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.298 -6.454 6.752 1.00 0.00 N ATOM 93 CA TYR A 7 7.078 -5.715 7.014 1.00 0.00 C ATOM 94 C TYR A 7 5.947 -6.643 7.431 1.00 0.00 C ATOM 95 O TYR A 7 6.075 -7.866 7.373 1.00 0.00 O ATOM 96 CB TYR A 7 6.706 -4.925 5.759 1.00 0.00 C ATOM 97 CG TYR A 7 6.281 -5.806 4.616 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.219 -6.486 3.855 1.00 0.00 C ATOM 99 CD2 TYR A 7 4.945 -5.968 4.314 1.00 0.00 C ATOM 100 CE1 TYR A 7 6.829 -7.306 2.821 1.00 0.00 C ATOM 101 CE2 TYR A 7 4.546 -6.785 3.289 1.00 0.00 C ATOM 102 CZ TYR A 7 5.490 -7.452 2.545 1.00 0.00 C ATOM 103 OH TYR A 7 5.088 -8.271 1.531 1.00 0.00 O ATOM 0 HA TYR A 7 7.244 -5.028 7.843 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.898 -4.233 5.998 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.560 -4.323 5.449 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.270 -6.371 4.076 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.201 -5.442 4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.567 -7.830 2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.496 -6.904 3.067 1.00 0.00 H new ATOM 0 HH TYR A 7 4.178 -8.031 1.258 1.00 0.00 H new ATOM 113 N GLN A 8 4.850 -6.042 7.857 1.00 0.00 N ATOM 114 CA GLN A 8 3.697 -6.783 8.325 1.00 0.00 C ATOM 115 C GLN A 8 2.439 -6.091 7.815 1.00 0.00 C ATOM 116 O GLN A 8 2.230 -4.901 8.052 1.00 0.00 O ATOM 117 CB GLN A 8 3.723 -6.851 9.861 1.00 0.00 C ATOM 118 CG GLN A 8 2.954 -8.016 10.479 1.00 0.00 C ATOM 119 CD GLN A 8 1.453 -7.801 10.522 1.00 0.00 C ATOM 120 OE1 GLN A 8 0.932 -7.200 11.459 1.00 0.00 O ATOM 121 NE2 GLN A 8 0.742 -8.326 9.539 1.00 0.00 N ATOM 0 H GLN A 8 4.736 -5.029 7.887 1.00 0.00 H new ATOM 0 HA GLN A 8 3.711 -7.805 7.947 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.761 -6.910 10.187 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.317 -5.920 10.256 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.166 -8.922 9.911 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.318 -8.183 11.493 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.210 -8.818 8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.274 -8.239 9.542 1.00 0.00 H new ATOM 130 N ILE A 9 1.639 -6.827 7.072 1.00 0.00 N ATOM 131 CA ILE A 9 0.416 -6.296 6.494 1.00 0.00 C ATOM 132 C ILE A 9 -0.751 -6.436 7.466 1.00 0.00 C ATOM 133 O ILE A 9 -1.216 -7.536 7.768 1.00 0.00 O ATOM 134 CB ILE A 9 0.083 -6.964 5.141 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.093 -6.505 4.093 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.339 -6.630 4.707 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.805 -7.003 2.705 1.00 0.00 C ATOM 0 H ILE A 9 1.815 -7.807 6.851 1.00 0.00 H new ATOM 0 HA ILE A 9 0.582 -5.236 6.304 1.00 0.00 H new ATOM 0 HB ILE A 9 0.147 -8.047 5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.116 -5.415 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.087 -6.841 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.550 -7.111 3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.043 -6.989 5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.443 -5.550 4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.568 -6.633 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.811 -8.093 2.701 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.174 -6.645 2.386 1.00 0.00 H new ATOM 149 N GLU A 10 -1.215 -5.303 7.943 1.00 0.00 N ATOM 150 CA GLU A 10 -2.227 -5.253 8.979 1.00 0.00 C ATOM 151 C GLU A 10 -3.566 -4.819 8.396 1.00 0.00 C ATOM 152 O GLU A 10 -3.633 -4.251 7.301 1.00 0.00 O ATOM 153 CB GLU A 10 -1.777 -4.282 10.071 1.00 0.00 C ATOM 154 CG GLU A 10 -1.781 -2.824 9.635 1.00 0.00 C ATOM 155 CD GLU A 10 -0.715 -2.004 10.328 1.00 0.00 C ATOM 156 OE1 GLU A 10 -0.952 -1.546 11.463 1.00 0.00 O ATOM 157 OE2 GLU A 10 0.375 -1.830 9.747 1.00 0.00 O ATOM 0 H GLU A 10 -0.901 -4.386 7.624 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.355 -6.246 9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.430 -4.395 10.936 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.771 -4.553 10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.630 -2.771 8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.759 -2.390 9.842 1.00 0.00 H new ATOM 164 N GLN A 11 -4.633 -5.091 9.123 1.00 0.00 N ATOM 165 CA GLN A 11 -5.956 -4.716 8.674 1.00 0.00 C ATOM 166 C GLN A 11 -6.324 -3.338 9.185 1.00 0.00 C ATOM 167 O GLN A 11 -6.277 -3.059 10.384 1.00 0.00 O ATOM 168 CB GLN A 11 -6.989 -5.763 9.103 1.00 0.00 C ATOM 169 CG GLN A 11 -8.422 -5.389 8.751 1.00 0.00 C ATOM 170 CD GLN A 11 -8.575 -4.930 7.312 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.420 -4.096 7.005 1.00 0.00 O ATOM 172 NE2 GLN A 11 -7.752 -5.456 6.421 1.00 0.00 N ATOM 0 H GLN A 11 -4.608 -5.569 10.024 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.953 -4.677 7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.745 -6.715 8.632 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.916 -5.912 10.180 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.070 -6.248 8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.760 -4.596 9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.061 -6.148 6.711 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.808 -5.170 5.443 1.00 0.00 H new ATOM 181 N LEU A 12 -6.673 -2.485 8.235 1.00 0.00 N ATOM 182 CA LEU A 12 -6.991 -1.095 8.499 1.00 0.00 C ATOM 183 C LEU A 12 -8.321 -0.969 9.236 1.00 0.00 C ATOM 184 O LEU A 12 -8.430 -0.244 10.224 1.00 0.00 O ATOM 185 CB LEU A 12 -7.055 -0.371 7.169 1.00 0.00 C ATOM 186 CG LEU A 12 -6.839 1.133 7.196 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.280 1.604 8.533 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.878 1.484 6.087 1.00 0.00 C ATOM 0 H LEU A 12 -6.743 -2.743 7.251 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.224 -0.655 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.308 -0.810 6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.030 -0.566 6.723 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.798 1.632 7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.141 2.685 8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.977 1.346 9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.322 1.119 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.704 2.560 6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.933 0.965 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.301 1.181 5.129 1.00 0.00 H new ATOM 200 N GLY A 13 -9.322 -1.683 8.746 1.00 0.00 N ATOM 201 CA GLY A 13 -10.634 -1.652 9.356 1.00 0.00 C ATOM 202 C GLY A 13 -11.432 -2.886 9.001 1.00 0.00 C ATOM 203 O GLY A 13 -11.514 -3.828 9.789 1.00 0.00 O ATOM 0 H GLY A 13 -9.247 -2.289 7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.533 -1.580 10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.170 -0.762 9.027 1.00 0.00 H new ATOM 207 N ASP A 14 -12.002 -2.887 7.806 1.00 0.00 N ATOM 208 CA ASP A 14 -12.731 -4.047 7.303 1.00 0.00 C ATOM 209 C ASP A 14 -12.393 -4.306 5.836 1.00 0.00 C ATOM 210 O ASP A 14 -12.277 -5.454 5.408 1.00 0.00 O ATOM 211 CB ASP A 14 -14.241 -3.855 7.459 1.00 0.00 C ATOM 212 CG ASP A 14 -14.809 -2.801 6.528 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.656 -1.595 6.817 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.391 -3.173 5.487 1.00 0.00 O ATOM 0 H ASP A 14 -11.975 -2.096 7.163 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.425 -4.910 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.743 -4.804 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.461 -3.576 8.490 1.00 0.00 H new ATOM 219 N SER A 15 -12.197 -3.234 5.080 1.00 0.00 N ATOM 220 CA SER A 15 -11.976 -3.343 3.648 1.00 0.00 C ATOM 221 C SER A 15 -10.941 -2.326 3.198 1.00 0.00 C ATOM 222 O SER A 15 -11.055 -1.709 2.139 1.00 0.00 O ATOM 223 CB SER A 15 -13.292 -3.154 2.894 1.00 0.00 C ATOM 224 OG SER A 15 -14.070 -2.116 3.467 1.00 0.00 O ATOM 0 H SER A 15 -12.187 -2.279 5.437 1.00 0.00 H new ATOM 0 HA SER A 15 -11.595 -4.339 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.085 -2.922 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.858 -4.085 2.907 1.00 0.00 H new ATOM 0 HG SER A 15 -14.770 -2.505 4.032 1.00 0.00 H new ATOM 230 N ALA A 16 -9.936 -2.161 4.032 1.00 0.00 N ATOM 231 CA ALA A 16 -8.816 -1.290 3.746 1.00 0.00 C ATOM 232 C ALA A 16 -7.560 -1.931 4.305 1.00 0.00 C ATOM 233 O ALA A 16 -7.629 -2.690 5.275 1.00 0.00 O ATOM 234 CB ALA A 16 -9.042 0.094 4.338 1.00 0.00 C ATOM 0 H ALA A 16 -9.873 -2.632 4.935 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.710 -1.160 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.187 0.731 4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.944 0.530 3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.156 0.013 5.419 1.00 0.00 H new ATOM 240 N MET A 17 -6.423 -1.650 3.712 1.00 0.00 N ATOM 241 CA MET A 17 -5.202 -2.342 4.108 1.00 0.00 C ATOM 242 C MET A 17 -4.107 -1.378 4.546 1.00 0.00 C ATOM 243 O MET A 17 -3.893 -0.339 3.931 1.00 0.00 O ATOM 244 CB MET A 17 -4.723 -3.219 2.956 1.00 0.00 C ATOM 245 CG MET A 17 -3.371 -3.864 3.171 1.00 0.00 C ATOM 246 SD MET A 17 -3.090 -5.254 2.066 1.00 0.00 S ATOM 247 CE MET A 17 -3.269 -4.461 0.475 1.00 0.00 C ATOM 0 H MET A 17 -6.310 -0.962 2.967 1.00 0.00 H new ATOM 0 HA MET A 17 -5.431 -2.965 4.973 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.461 -4.003 2.783 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.682 -2.614 2.050 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.589 -3.120 3.020 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.294 -4.203 4.204 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.001 -5.164 -0.314 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.303 -4.143 0.341 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.613 -3.592 0.426 1.00 0.00 H new ATOM 257 N MET A 18 -3.415 -1.729 5.619 1.00 0.00 N ATOM 258 CA MET A 18 -2.305 -0.929 6.103 1.00 0.00 C ATOM 259 C MET A 18 -1.075 -1.814 6.242 1.00 0.00 C ATOM 260 O MET A 18 -1.177 -2.955 6.668 1.00 0.00 O ATOM 261 CB MET A 18 -2.671 -0.273 7.430 1.00 0.00 C ATOM 262 CG MET A 18 -1.657 0.738 7.937 1.00 0.00 C ATOM 263 SD MET A 18 -2.234 1.586 9.420 1.00 0.00 S ATOM 264 CE MET A 18 -0.986 2.856 9.594 1.00 0.00 C ATOM 0 H MET A 18 -3.605 -2.565 6.171 1.00 0.00 H new ATOM 0 HA MET A 18 -2.083 -0.133 5.392 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.636 0.223 7.321 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.796 -1.051 8.183 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.716 0.232 8.152 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.454 1.471 7.156 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.206 3.465 10.471 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.007 2.391 9.712 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.983 3.487 8.705 1.00 0.00 H new ATOM 274 N ILE A 19 0.071 -1.312 5.841 1.00 0.00 N ATOM 275 CA ILE A 19 1.286 -2.126 5.823 1.00 0.00 C ATOM 276 C ILE A 19 2.466 -1.390 6.447 1.00 0.00 C ATOM 277 O ILE A 19 2.873 -0.348 5.947 1.00 0.00 O ATOM 278 CB ILE A 19 1.658 -2.509 4.376 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.475 -3.156 3.667 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.837 -3.460 4.368 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.302 -2.678 2.245 1.00 0.00 C ATOM 0 H ILE A 19 0.197 -0.351 5.523 1.00 0.00 H new ATOM 0 HA ILE A 19 1.077 -3.022 6.408 1.00 0.00 H new ATOM 0 HB ILE A 19 1.930 -1.596 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.607 -4.238 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.436 -2.946 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.087 -3.721 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.695 -2.980 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.579 -4.364 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.557 -3.176 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.140 -1.600 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.198 -2.912 1.671 1.00 0.00 H new ATOM 293 N ARG A 20 3.031 -1.924 7.521 1.00 0.00 N ATOM 294 CA ARG A 20 4.192 -1.288 8.130 1.00 0.00 C ATOM 295 C ARG A 20 5.469 -2.034 7.762 1.00 0.00 C ATOM 296 O ARG A 20 5.563 -3.249 7.934 1.00 0.00 O ATOM 297 CB ARG A 20 4.043 -1.163 9.664 1.00 0.00 C ATOM 298 CG ARG A 20 4.500 -2.375 10.477 1.00 0.00 C ATOM 299 CD ARG A 20 3.527 -3.539 10.393 1.00 0.00 C ATOM 300 NE ARG A 20 2.243 -3.236 11.008 1.00 0.00 N ATOM 301 CZ ARG A 20 1.929 -3.530 12.272 1.00 0.00 C ATOM 302 NH1 ARG A 20 2.793 -4.181 13.041 1.00 0.00 N ATOM 303 NH2 ARG A 20 0.748 -3.180 12.766 1.00 0.00 N ATOM 0 H ARG A 20 2.714 -2.777 7.981 1.00 0.00 H new ATOM 0 HA ARG A 20 4.258 -0.276 7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.609 -0.292 9.995 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.995 -0.969 9.894 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.478 -2.698 10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.621 -2.083 11.520 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.372 -3.804 9.347 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.964 -4.410 10.881 1.00 0.00 H new ATOM 0 HE ARG A 20 1.538 -2.769 10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.700 -4.458 12.667 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.550 -4.404 14.006 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.076 -2.685 12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.512 -3.406 13.732 1.00 0.00 H new ATOM 317 N PHE A 21 6.435 -1.307 7.213 1.00 0.00 N ATOM 318 CA PHE A 21 7.737 -1.878 6.885 1.00 0.00 C ATOM 319 C PHE A 21 8.771 -1.313 7.849 1.00 0.00 C ATOM 320 O PHE A 21 8.419 -0.793 8.908 1.00 0.00 O ATOM 321 CB PHE A 21 8.190 -1.534 5.454 1.00 0.00 C ATOM 322 CG PHE A 21 7.147 -1.626 4.370 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.063 -0.773 4.366 1.00 0.00 C ATOM 324 CD2 PHE A 21 7.292 -2.517 3.319 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.139 -0.798 3.348 1.00 0.00 C ATOM 326 CE2 PHE A 21 6.362 -2.561 2.297 1.00 0.00 C ATOM 327 CZ PHE A 21 5.283 -1.697 2.309 1.00 0.00 C ATOM 0 H PHE A 21 6.341 -0.317 6.985 1.00 0.00 H new ATOM 0 HA PHE A 21 7.648 -2.962 6.963 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.587 -0.519 5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.014 -2.197 5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.938 -0.072 5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.141 -3.184 3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.302 -0.116 3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.478 -3.270 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.556 -1.725 1.510 1.00 0.00 H new ATOM 422 N GLN A 28 15.830 3.005 4.002 1.00 0.00 N ATOM 423 CA GLN A 28 15.185 2.760 2.713 1.00 0.00 C ATOM 424 C GLN A 28 13.658 2.854 2.810 1.00 0.00 C ATOM 425 O GLN A 28 12.998 3.348 1.893 1.00 0.00 O ATOM 426 CB GLN A 28 15.618 1.378 2.212 1.00 0.00 C ATOM 427 CG GLN A 28 15.180 1.058 0.797 1.00 0.00 C ATOM 428 CD GLN A 28 13.771 0.500 0.723 1.00 0.00 C ATOM 429 OE1 GLN A 28 13.282 -0.107 1.675 1.00 0.00 O ATOM 430 NE2 GLN A 28 13.120 0.675 -0.416 1.00 0.00 N ATOM 0 HA GLN A 28 15.496 3.529 2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.704 1.309 2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.216 0.619 2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.239 1.962 0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.873 0.338 0.362 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.560 1.184 -1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.178 0.300 -0.528 1.00 0.00 H new ATOM 439 N VAL A 29 13.102 2.409 3.933 1.00 0.00 N ATOM 440 CA VAL A 29 11.654 2.382 4.102 1.00 0.00 C ATOM 441 C VAL A 29 11.067 3.790 4.082 1.00 0.00 C ATOM 442 O VAL A 29 10.041 4.030 3.450 1.00 0.00 O ATOM 443 CB VAL A 29 11.237 1.665 5.405 1.00 0.00 C ATOM 444 CG1 VAL A 29 11.786 2.370 6.636 1.00 0.00 C ATOM 445 CG2 VAL A 29 9.725 1.546 5.485 1.00 0.00 C ATOM 0 H VAL A 29 13.629 2.064 4.735 1.00 0.00 H new ATOM 0 HA VAL A 29 11.255 1.819 3.259 1.00 0.00 H new ATOM 0 HB VAL A 29 11.667 0.664 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.471 1.836 7.532 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.875 2.389 6.589 1.00 0.00 H new ATOM 0 HG13 VAL A 29 11.406 3.391 6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.448 1.038 6.409 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.280 2.541 5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.360 0.973 4.633 1.00 0.00 H new ATOM 455 N ASN A 30 11.755 4.717 4.738 1.00 0.00 N ATOM 456 CA ASN A 30 11.275 6.092 4.888 1.00 0.00 C ATOM 457 C ASN A 30 11.083 6.765 3.535 1.00 0.00 C ATOM 458 O ASN A 30 10.279 7.687 3.398 1.00 0.00 O ATOM 459 CB ASN A 30 12.252 6.916 5.735 1.00 0.00 C ATOM 460 CG ASN A 30 12.346 6.420 7.164 1.00 0.00 C ATOM 461 OD1 ASN A 30 11.596 6.853 8.036 1.00 0.00 O ATOM 462 ND2 ASN A 30 13.286 5.522 7.418 1.00 0.00 N ATOM 0 H ASN A 30 12.657 4.542 5.180 1.00 0.00 H new ATOM 0 HA ASN A 30 10.310 6.046 5.392 1.00 0.00 H new ATOM 0 HB2 ASN A 30 13.241 6.883 5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.936 7.959 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.407 5.165 8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.889 5.188 6.666 1.00 0.00 H new ATOM 469 N GLY A 31 11.815 6.297 2.536 1.00 0.00 N ATOM 470 CA GLY A 31 11.697 6.867 1.218 1.00 0.00 C ATOM 471 C GLY A 31 10.686 6.131 0.371 1.00 0.00 C ATOM 472 O GLY A 31 9.900 6.748 -0.348 1.00 0.00 O ATOM 0 H GLY A 31 12.487 5.534 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.407 7.914 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.669 6.844 0.725 1.00 0.00 H new ATOM 476 N ILE A 32 10.670 4.809 0.480 1.00 0.00 N ATOM 477 CA ILE A 32 9.837 4.007 -0.398 1.00 0.00 C ATOM 478 C ILE A 32 8.390 3.943 0.077 1.00 0.00 C ATOM 479 O ILE A 32 7.497 3.782 -0.735 1.00 0.00 O ATOM 480 CB ILE A 32 10.405 2.584 -0.621 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.433 2.269 -2.125 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.622 1.520 0.144 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.075 2.307 -2.821 1.00 0.00 C ATOM 0 H ILE A 32 11.217 4.278 1.158 1.00 0.00 H new ATOM 0 HA ILE A 32 9.848 4.517 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 32 11.421 2.564 -0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.096 2.981 -2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.868 1.279 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.060 0.540 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.663 1.736 1.212 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.584 1.524 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.201 2.071 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.411 1.574 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.642 3.302 -2.720 1.00 0.00 H new ATOM 495 N VAL A 33 8.133 4.082 1.370 1.00 0.00 N ATOM 496 CA VAL A 33 6.748 4.129 1.821 1.00 0.00 C ATOM 497 C VAL A 33 6.138 5.449 1.370 1.00 0.00 C ATOM 498 O VAL A 33 4.951 5.535 1.059 1.00 0.00 O ATOM 499 CB VAL A 33 6.596 3.968 3.353 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.296 5.083 4.091 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.128 3.902 3.742 1.00 0.00 C ATOM 0 H VAL A 33 8.837 4.162 2.104 1.00 0.00 H new ATOM 0 HA VAL A 33 6.225 3.282 1.376 1.00 0.00 H new ATOM 0 HB VAL A 33 7.070 3.029 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.172 4.943 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.358 5.072 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.865 6.040 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.043 3.789 4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.628 4.820 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.659 3.050 3.250 1.00 0.00 H new ATOM 511 N HIS A 34 6.989 6.465 1.293 1.00 0.00 N ATOM 512 CA HIS A 34 6.583 7.776 0.823 1.00 0.00 C ATOM 513 C HIS A 34 6.328 7.727 -0.679 1.00 0.00 C ATOM 514 O HIS A 34 5.425 8.392 -1.185 1.00 0.00 O ATOM 515 CB HIS A 34 7.667 8.808 1.154 1.00 0.00 C ATOM 516 CG HIS A 34 7.257 10.231 0.914 1.00 0.00 C ATOM 517 ND1 HIS A 34 8.073 11.155 0.298 1.00 0.00 N ATOM 518 CD2 HIS A 34 6.121 10.894 1.238 1.00 0.00 C ATOM 519 CE1 HIS A 34 7.457 12.321 0.253 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.274 12.189 0.816 1.00 0.00 N ATOM 0 H HIS A 34 7.973 6.400 1.554 1.00 0.00 H new ATOM 0 HA HIS A 34 5.661 8.071 1.324 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.952 8.696 2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.553 8.592 0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.257 10.480 1.736 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.856 13.230 -0.173 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.582 12.931 0.921 1.00 0.00 H new ATOM 529 N ALA A 35 7.120 6.922 -1.380 1.00 0.00 N ATOM 530 CA ALA A 35 6.980 6.767 -2.819 1.00 0.00 C ATOM 531 C ALA A 35 5.920 5.726 -3.166 1.00 0.00 C ATOM 532 O ALA A 35 5.362 5.735 -4.260 1.00 0.00 O ATOM 533 CB ALA A 35 8.314 6.379 -3.432 1.00 0.00 C ATOM 0 H ALA A 35 7.869 6.365 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 35 6.658 7.723 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.200 6.265 -4.510 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.049 7.157 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.652 5.436 -3.001 1.00 0.00 H new ATOM 539 N ALA A 36 5.638 4.837 -2.219 1.00 0.00 N ATOM 540 CA ALA A 36 4.703 3.736 -2.435 1.00 0.00 C ATOM 541 C ALA A 36 3.295 4.248 -2.692 1.00 0.00 C ATOM 542 O ALA A 36 2.467 3.549 -3.276 1.00 0.00 O ATOM 543 CB ALA A 36 4.708 2.789 -1.246 1.00 0.00 C ATOM 0 H ALA A 36 6.048 4.858 -1.285 1.00 0.00 H new ATOM 0 HA ALA A 36 5.032 3.192 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.005 1.975 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.709 2.380 -1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.413 3.331 -0.348 1.00 0.00 H new ATOM 549 N ALA A 37 3.036 5.475 -2.268 1.00 0.00 N ATOM 550 CA ALA A 37 1.748 6.096 -2.491 1.00 0.00 C ATOM 551 C ALA A 37 1.554 6.310 -3.979 1.00 0.00 C ATOM 552 O ALA A 37 0.490 6.039 -4.530 1.00 0.00 O ATOM 553 CB ALA A 37 1.666 7.415 -1.746 1.00 0.00 C ATOM 0 H ALA A 37 3.705 6.059 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 37 0.957 5.447 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.692 7.872 -1.922 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.797 7.239 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.450 8.083 -2.102 1.00 0.00 H new ATOM 559 N ALA A 38 2.603 6.778 -4.629 1.00 0.00 N ATOM 560 CA ALA A 38 2.568 6.961 -6.063 1.00 0.00 C ATOM 561 C ALA A 38 2.839 5.648 -6.782 1.00 0.00 C ATOM 562 O ALA A 38 2.335 5.417 -7.878 1.00 0.00 O ATOM 563 CB ALA A 38 3.554 8.028 -6.500 1.00 0.00 C ATOM 0 H ALA A 38 3.485 7.037 -4.187 1.00 0.00 H new ATOM 0 HA ALA A 38 1.567 7.297 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.507 8.145 -7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.302 8.974 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.562 7.732 -6.211 1.00 0.00 H new ATOM 569 N TYR A 39 3.623 4.787 -6.142 1.00 0.00 N ATOM 570 CA TYR A 39 3.955 3.476 -6.689 1.00 0.00 C ATOM 571 C TYR A 39 2.683 2.729 -7.101 1.00 0.00 C ATOM 572 O TYR A 39 2.596 2.170 -8.197 1.00 0.00 O ATOM 573 CB TYR A 39 4.724 2.654 -5.649 1.00 0.00 C ATOM 574 CG TYR A 39 5.477 1.479 -6.231 1.00 0.00 C ATOM 575 CD1 TYR A 39 4.805 0.356 -6.697 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.861 1.503 -6.323 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.491 -0.709 -7.239 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.555 0.440 -6.862 1.00 0.00 C ATOM 579 CZ TYR A 39 6.865 -0.661 -7.319 1.00 0.00 C ATOM 580 OH TYR A 39 7.552 -1.716 -7.865 1.00 0.00 O ATOM 0 H TYR A 39 4.045 4.977 -5.233 1.00 0.00 H new ATOM 0 HA TYR A 39 4.580 3.617 -7.571 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.430 3.306 -5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.023 2.288 -4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.728 0.317 -6.633 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.403 2.367 -5.967 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.955 -1.575 -7.598 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.633 0.471 -6.925 1.00 0.00 H new ATOM 0 HH TYR A 39 8.513 -1.524 -7.848 1.00 0.00 H new ATOM 590 N ILE A 40 1.691 2.752 -6.217 1.00 0.00 N ATOM 591 CA ILE A 40 0.450 2.018 -6.422 1.00 0.00 C ATOM 592 C ILE A 40 -0.504 2.759 -7.354 1.00 0.00 C ATOM 593 O ILE A 40 -1.294 2.139 -8.056 1.00 0.00 O ATOM 594 CB ILE A 40 -0.239 1.764 -5.072 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.657 0.900 -4.193 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.598 1.101 -5.254 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.322 1.009 -2.727 1.00 0.00 C ATOM 0 H ILE A 40 1.725 3.277 -5.343 1.00 0.00 H new ATOM 0 HA ILE A 40 0.705 1.068 -6.892 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.405 2.726 -4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.568 -0.141 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.696 1.191 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.056 0.937 -4.279 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.241 1.747 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.471 0.145 -5.761 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.994 0.371 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.438 2.043 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.708 0.691 -2.565 1.00 0.00 H new ATOM 609 N GLU A 41 -0.436 4.081 -7.376 1.00 0.00 N ATOM 610 CA GLU A 41 -1.339 4.836 -8.228 1.00 0.00 C ATOM 611 C GLU A 41 -0.887 4.744 -9.683 1.00 0.00 C ATOM 612 O GLU A 41 -1.700 4.847 -10.604 1.00 0.00 O ATOM 613 CB GLU A 41 -1.464 6.293 -7.773 1.00 0.00 C ATOM 614 CG GLU A 41 -0.248 7.156 -8.047 1.00 0.00 C ATOM 615 CD GLU A 41 -0.496 8.610 -7.710 1.00 0.00 C ATOM 616 OE1 GLU A 41 -1.083 9.324 -8.553 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.121 9.046 -6.600 1.00 0.00 O ATOM 0 H GLU A 41 0.217 4.641 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.332 4.395 -8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.327 6.740 -8.267 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.667 6.307 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.596 6.788 -7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.028 7.070 -9.098 1.00 0.00 H new ATOM 624 N GLU A 42 0.410 4.534 -9.885 1.00 0.00 N ATOM 625 CA GLU A 42 0.940 4.297 -11.219 1.00 0.00 C ATOM 626 C GLU A 42 0.585 2.888 -11.680 1.00 0.00 C ATOM 627 O GLU A 42 0.305 2.661 -12.855 1.00 0.00 O ATOM 628 CB GLU A 42 2.460 4.489 -11.251 1.00 0.00 C ATOM 629 CG GLU A 42 2.906 5.891 -10.870 1.00 0.00 C ATOM 630 CD GLU A 42 4.408 6.072 -10.950 1.00 0.00 C ATOM 631 OE1 GLU A 42 5.132 5.488 -10.118 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.874 6.798 -11.856 1.00 0.00 O ATOM 0 H GLU A 42 1.110 4.523 -9.143 1.00 0.00 H new ATOM 0 HA GLU A 42 0.490 5.023 -11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.922 3.773 -10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.825 4.260 -12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.422 6.613 -11.528 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.572 6.111 -9.856 1.00 0.00 H new ATOM 639 N GLN A 43 0.581 1.948 -10.741 1.00 0.00 N ATOM 640 CA GLN A 43 0.257 0.556 -11.043 1.00 0.00 C ATOM 641 C GLN A 43 -0.881 0.071 -10.145 1.00 0.00 C ATOM 642 O GLN A 43 -0.664 -0.685 -9.196 1.00 0.00 O ATOM 643 CB GLN A 43 1.496 -0.315 -10.854 1.00 0.00 C ATOM 644 CG GLN A 43 2.636 0.095 -11.764 1.00 0.00 C ATOM 645 CD GLN A 43 3.983 -0.376 -11.267 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.441 -1.463 -11.613 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.627 0.439 -10.443 1.00 0.00 N ATOM 0 H GLN A 43 0.799 2.125 -9.760 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.070 0.483 -12.080 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.824 -0.255 -9.816 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.237 -1.356 -11.047 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.461 -0.308 -12.761 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.648 1.181 -11.857 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.211 1.333 -10.181 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.539 0.172 -10.071 1.00 0.00 H new ATOM 656 N PRO A 44 -2.114 0.508 -10.440 1.00 0.00 N ATOM 657 CA PRO A 44 -3.268 0.289 -9.581 1.00 0.00 C ATOM 658 C PRO A 44 -4.091 -0.938 -9.959 1.00 0.00 C ATOM 659 O PRO A 44 -3.639 -1.821 -10.693 1.00 0.00 O ATOM 660 CB PRO A 44 -4.070 1.564 -9.830 1.00 0.00 C ATOM 661 CG PRO A 44 -3.789 1.932 -11.255 1.00 0.00 C ATOM 662 CD PRO A 44 -2.493 1.260 -11.645 1.00 0.00 C ATOM 0 HA PRO A 44 -2.987 0.102 -8.545 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.135 1.397 -9.669 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.766 2.360 -9.150 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.602 1.605 -11.904 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.709 3.014 -11.364 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.626 0.601 -12.503 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.730 1.989 -11.918 1.00 0.00 H new ATOM 670 N PHE A 45 -5.297 -0.982 -9.418 1.00 0.00 N ATOM 671 CA PHE A 45 -6.264 -2.021 -9.702 1.00 0.00 C ATOM 672 C PHE A 45 -7.635 -1.370 -9.843 1.00 0.00 C ATOM 673 O PHE A 45 -7.883 -0.342 -9.216 1.00 0.00 O ATOM 674 CB PHE A 45 -6.252 -3.088 -8.596 1.00 0.00 C ATOM 675 CG PHE A 45 -6.066 -2.525 -7.216 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.128 -1.966 -6.533 1.00 0.00 C ATOM 677 CD2 PHE A 45 -4.823 -2.558 -6.603 1.00 0.00 C ATOM 678 CE1 PHE A 45 -6.959 -1.449 -5.265 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.648 -2.043 -5.336 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.716 -1.487 -4.665 1.00 0.00 C ATOM 0 H PHE A 45 -5.635 -0.282 -8.757 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.011 -2.530 -10.632 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.189 -3.643 -8.629 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.452 -3.800 -8.799 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.103 -1.933 -6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.982 -2.992 -7.124 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.798 -1.015 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.674 -2.075 -4.869 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.581 -1.082 -3.673 1.00 0.00 H new ATOM 690 N PRO A 46 -8.507 -1.926 -10.702 1.00 0.00 N ATOM 691 CA PRO A 46 -9.792 -1.310 -11.108 1.00 0.00 C ATOM 692 C PRO A 46 -10.627 -0.693 -9.976 1.00 0.00 C ATOM 693 O PRO A 46 -11.458 0.180 -10.230 1.00 0.00 O ATOM 694 CB PRO A 46 -10.545 -2.483 -11.728 1.00 0.00 C ATOM 695 CG PRO A 46 -9.481 -3.347 -12.296 1.00 0.00 C ATOM 696 CD PRO A 46 -8.305 -3.231 -11.370 1.00 0.00 C ATOM 0 HA PRO A 46 -9.607 -0.460 -11.765 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.133 -3.016 -10.981 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.238 -2.147 -12.499 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.818 -4.381 -12.369 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.216 -3.026 -13.303 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.281 -4.049 -10.650 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.362 -3.259 -11.916 1.00 0.00 H new ATOM 704 N GLY A 47 -10.409 -1.133 -8.743 1.00 0.00 N ATOM 705 CA GLY A 47 -11.191 -0.636 -7.625 1.00 0.00 C ATOM 706 C GLY A 47 -10.342 0.105 -6.614 1.00 0.00 C ATOM 707 O GLY A 47 -10.658 0.136 -5.428 1.00 0.00 O ATOM 0 H GLY A 47 -9.703 -1.827 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.971 0.028 -7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.690 -1.471 -7.134 1.00 0.00 H new ATOM 711 N PHE A 48 -9.245 0.672 -7.085 1.00 0.00 N ATOM 712 CA PHE A 48 -8.354 1.457 -6.242 1.00 0.00 C ATOM 713 C PHE A 48 -9.010 2.759 -5.782 1.00 0.00 C ATOM 714 O PHE A 48 -9.652 3.457 -6.565 1.00 0.00 O ATOM 715 CB PHE A 48 -7.060 1.747 -7.012 1.00 0.00 C ATOM 716 CG PHE A 48 -6.184 2.788 -6.385 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.486 2.519 -5.223 1.00 0.00 C ATOM 718 CD2 PHE A 48 -6.053 4.037 -6.971 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.674 3.476 -4.654 1.00 0.00 C ATOM 720 CE2 PHE A 48 -5.244 5.000 -6.406 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.553 4.720 -5.246 1.00 0.00 C ATOM 0 H PHE A 48 -8.946 0.603 -8.058 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.127 0.880 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.493 0.821 -7.105 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.317 2.067 -8.022 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.578 1.549 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.591 4.259 -7.881 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.132 3.255 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.152 5.971 -6.871 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.918 5.471 -4.800 1.00 0.00 H new ATOM 731 N ILE A 49 -8.838 3.070 -4.498 1.00 0.00 N ATOM 732 CA ILE A 49 -9.391 4.284 -3.913 1.00 0.00 C ATOM 733 C ILE A 49 -8.289 5.293 -3.584 1.00 0.00 C ATOM 734 O ILE A 49 -8.273 6.403 -4.117 1.00 0.00 O ATOM 735 CB ILE A 49 -10.186 3.963 -2.626 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.425 3.125 -2.951 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.582 5.231 -1.885 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.447 3.829 -3.813 1.00 0.00 C ATOM 0 H ILE A 49 -8.315 2.491 -3.841 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.062 4.721 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.534 3.384 -1.972 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.109 2.212 -3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.900 2.825 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.139 4.968 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.685 5.785 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.206 5.850 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.291 3.163 -3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.796 4.727 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.992 4.105 -4.764 1.00 0.00 H new ATOM 750 N GLU A 50 -7.361 4.898 -2.717 1.00 0.00 N ATOM 751 CA GLU A 50 -6.353 5.821 -2.210 1.00 0.00 C ATOM 752 C GLU A 50 -5.178 5.059 -1.601 1.00 0.00 C ATOM 753 O GLU A 50 -5.313 3.902 -1.226 1.00 0.00 O ATOM 754 CB GLU A 50 -6.986 6.744 -1.155 1.00 0.00 C ATOM 755 CG GLU A 50 -6.019 7.737 -0.531 1.00 0.00 C ATOM 756 CD GLU A 50 -6.646 8.527 0.594 1.00 0.00 C ATOM 757 OE1 GLU A 50 -6.876 7.947 1.673 1.00 0.00 O ATOM 758 OE2 GLU A 50 -6.919 9.731 0.403 1.00 0.00 O ATOM 0 H GLU A 50 -7.287 3.948 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.977 6.420 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.806 7.294 -1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.418 6.130 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.148 7.202 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.663 8.424 -1.299 1.00 0.00 H new ATOM 765 N CYS A 51 -4.029 5.706 -1.529 1.00 0.00 N ATOM 766 CA CYS A 51 -2.875 5.153 -0.842 1.00 0.00 C ATOM 767 C CYS A 51 -1.998 6.284 -0.322 1.00 0.00 C ATOM 768 O CYS A 51 -1.493 7.097 -1.094 1.00 0.00 O ATOM 769 CB CYS A 51 -2.081 4.229 -1.769 1.00 0.00 C ATOM 770 SG CYS A 51 -1.878 4.863 -3.447 1.00 0.00 S ATOM 0 H CYS A 51 -3.869 6.625 -1.942 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.219 4.557 0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.096 4.057 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.582 3.262 -1.816 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.773 4.328 -4.224 1.00 0.00 H new ATOM 776 N ILE A 52 -1.838 6.343 0.990 1.00 0.00 N ATOM 777 CA ILE A 52 -1.088 7.422 1.618 1.00 0.00 C ATOM 778 C ILE A 52 0.011 6.885 2.532 1.00 0.00 C ATOM 779 O ILE A 52 -0.166 5.870 3.208 1.00 0.00 O ATOM 780 CB ILE A 52 -2.022 8.356 2.417 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.031 7.540 3.229 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.734 9.318 1.476 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.925 8.380 4.117 1.00 0.00 C ATOM 0 H ILE A 52 -2.217 5.657 1.642 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.619 7.993 0.816 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.421 8.939 3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.653 6.964 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.491 6.824 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.390 9.971 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.997 9.920 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.326 8.752 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.612 7.731 4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.313 8.936 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.494 9.079 3.504 1.00 0.00 H new ATOM 795 N PRO A 53 1.175 7.553 2.549 1.00 0.00 N ATOM 796 CA PRO A 53 2.323 7.142 3.350 1.00 0.00 C ATOM 797 C PRO A 53 2.253 7.656 4.786 1.00 0.00 C ATOM 798 O PRO A 53 1.867 8.801 5.030 1.00 0.00 O ATOM 799 CB PRO A 53 3.520 7.784 2.628 1.00 0.00 C ATOM 800 CG PRO A 53 2.953 8.624 1.521 1.00 0.00 C ATOM 801 CD PRO A 53 1.478 8.760 1.782 1.00 0.00 C ATOM 0 HA PRO A 53 2.380 6.057 3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.106 8.394 3.316 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.188 7.020 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.432 9.603 1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.132 8.157 0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.248 9.665 2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.905 8.806 0.856 1.00 0.00 H new ATOM 809 N ALA A 54 2.639 6.812 5.728 1.00 0.00 N ATOM 810 CA ALA A 54 2.661 7.191 7.130 1.00 0.00 C ATOM 811 C ALA A 54 3.982 6.785 7.785 1.00 0.00 C ATOM 812 O ALA A 54 4.018 5.874 8.617 1.00 0.00 O ATOM 813 CB ALA A 54 1.482 6.564 7.865 1.00 0.00 C ATOM 0 H ALA A 54 2.943 5.855 5.546 1.00 0.00 H new ATOM 0 HA ALA A 54 2.574 8.276 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.511 6.856 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.550 6.908 7.418 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.542 5.478 7.789 1.00 0.00 H new ATOM 819 N PHE A 55 5.069 7.432 7.352 1.00 0.00 N ATOM 820 CA PHE A 55 6.386 7.315 7.992 1.00 0.00 C ATOM 821 C PHE A 55 7.062 5.990 7.648 1.00 0.00 C ATOM 822 O PHE A 55 8.063 5.965 6.938 1.00 0.00 O ATOM 823 CB PHE A 55 6.274 7.488 9.516 1.00 0.00 C ATOM 824 CG PHE A 55 7.584 7.360 10.246 1.00 0.00 C ATOM 825 CD1 PHE A 55 8.495 8.403 10.249 1.00 0.00 C ATOM 826 CD2 PHE A 55 7.900 6.196 10.931 1.00 0.00 C ATOM 827 CE1 PHE A 55 9.697 8.286 10.919 1.00 0.00 C ATOM 828 CE2 PHE A 55 9.100 6.077 11.604 1.00 0.00 C ATOM 829 CZ PHE A 55 10.000 7.123 11.598 1.00 0.00 C ATOM 0 H PHE A 55 5.061 8.055 6.544 1.00 0.00 H new ATOM 0 HA PHE A 55 7.011 8.117 7.600 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.845 8.467 9.729 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.579 6.744 9.905 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.263 9.317 9.722 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.200 5.374 10.938 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.401 9.105 10.912 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.334 5.166 12.135 1.00 0.00 H new ATOM 0 HZ PHE A 55 10.939 7.032 12.123 1.00 0.00 H new ATOM 839 N THR A 56 6.520 4.898 8.159 1.00 0.00 N ATOM 840 CA THR A 56 7.056 3.581 7.869 1.00 0.00 C ATOM 841 C THR A 56 5.913 2.621 7.542 1.00 0.00 C ATOM 842 O THR A 56 6.119 1.432 7.296 1.00 0.00 O ATOM 843 CB THR A 56 7.898 3.046 9.054 1.00 0.00 C ATOM 844 OG1 THR A 56 8.711 1.940 8.640 1.00 0.00 O ATOM 845 CG2 THR A 56 7.006 2.624 10.215 1.00 0.00 C ATOM 0 H THR A 56 5.709 4.898 8.777 1.00 0.00 H new ATOM 0 HA THR A 56 7.716 3.657 7.005 1.00 0.00 H new ATOM 0 HB THR A 56 8.545 3.856 9.390 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.269 1.100 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.624 2.253 11.032 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.426 3.481 10.559 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.329 1.836 9.886 1.00 0.00 H new ATOM 853 N SER A 57 4.700 3.159 7.533 1.00 0.00 N ATOM 854 CA SER A 57 3.512 2.376 7.240 1.00 0.00 C ATOM 855 C SER A 57 2.788 2.944 6.022 1.00 0.00 C ATOM 856 O SER A 57 2.661 4.156 5.876 1.00 0.00 O ATOM 857 CB SER A 57 2.582 2.375 8.452 1.00 0.00 C ATOM 858 OG SER A 57 3.285 1.998 9.625 1.00 0.00 O ATOM 0 H SER A 57 4.515 4.143 7.727 1.00 0.00 H new ATOM 0 HA SER A 57 3.810 1.351 7.018 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.149 3.366 8.585 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.755 1.686 8.281 1.00 0.00 H new ATOM 0 HG SER A 57 2.673 2.005 10.390 1.00 0.00 H new ATOM 864 N LEU A 58 2.334 2.068 5.148 1.00 0.00 N ATOM 865 CA LEU A 58 1.607 2.476 3.962 1.00 0.00 C ATOM 866 C LEU A 58 0.118 2.241 4.165 1.00 0.00 C ATOM 867 O LEU A 58 -0.302 1.143 4.530 1.00 0.00 O ATOM 868 CB LEU A 58 2.112 1.698 2.745 1.00 0.00 C ATOM 869 CG LEU A 58 1.455 2.056 1.411 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.724 3.508 1.042 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.954 1.124 0.322 1.00 0.00 C ATOM 0 H LEU A 58 2.457 1.060 5.238 1.00 0.00 H new ATOM 0 HA LEU A 58 1.773 3.539 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.186 1.858 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.962 0.634 2.929 1.00 0.00 H new ATOM 0 HG LEU A 58 0.377 1.934 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.246 3.736 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.321 4.161 1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.799 3.668 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.482 1.385 -0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.035 1.221 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.704 0.095 0.581 1.00 0.00 H new ATOM 883 N THR A 59 -0.669 3.276 3.946 1.00 0.00 N ATOM 884 CA THR A 59 -2.101 3.200 4.145 1.00 0.00 C ATOM 885 C THR A 59 -2.797 3.037 2.799 1.00 0.00 C ATOM 886 O THR A 59 -2.865 3.980 2.013 1.00 0.00 O ATOM 887 CB THR A 59 -2.604 4.476 4.846 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.510 5.120 5.518 1.00 0.00 O ATOM 889 CG2 THR A 59 -3.685 4.153 5.861 1.00 0.00 C ATOM 0 H THR A 59 -0.336 4.186 3.628 1.00 0.00 H new ATOM 0 HA THR A 59 -2.330 2.340 4.774 1.00 0.00 H new ATOM 0 HB THR A 59 -3.023 5.136 4.087 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.941 5.570 4.859 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.021 5.073 6.340 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.527 3.678 5.357 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.285 3.476 6.616 1.00 0.00 H new ATOM 897 N VAL A 60 -3.298 1.840 2.532 1.00 0.00 N ATOM 898 CA VAL A 60 -3.877 1.527 1.234 1.00 0.00 C ATOM 899 C VAL A 60 -5.389 1.377 1.331 1.00 0.00 C ATOM 900 O VAL A 60 -5.905 0.521 2.050 1.00 0.00 O ATOM 901 CB VAL A 60 -3.266 0.242 0.630 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.843 -0.041 -0.750 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.753 0.361 0.561 1.00 0.00 C ATOM 0 H VAL A 60 -3.315 1.068 3.198 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.643 2.362 0.574 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.522 -0.595 1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.396 -0.950 -1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.923 -0.171 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.624 0.795 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.335 -0.551 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.483 1.212 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.353 0.508 1.564 1.00 0.00 H new ATOM 913 N PHE A 61 -6.085 2.221 0.606 1.00 0.00 N ATOM 914 CA PHE A 61 -7.530 2.214 0.580 1.00 0.00 C ATOM 915 C PHE A 61 -8.011 1.789 -0.798 1.00 0.00 C ATOM 916 O PHE A 61 -7.387 2.103 -1.815 1.00 0.00 O ATOM 917 CB PHE A 61 -8.069 3.602 0.909 1.00 0.00 C ATOM 918 CG PHE A 61 -7.690 4.106 2.270 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.464 4.723 2.485 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.568 3.977 3.332 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.127 5.200 3.735 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.233 4.449 4.585 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.012 5.063 4.787 1.00 0.00 C ATOM 0 H PHE A 61 -5.663 2.936 0.014 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.896 1.509 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.707 4.306 0.160 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.156 3.585 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.768 4.830 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.526 3.502 3.179 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.172 5.680 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.925 4.338 5.407 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.750 5.435 5.766 1.00 0.00 H new ATOM 933 N TYR A 62 -9.129 1.099 -0.832 1.00 0.00 N ATOM 934 CA TYR A 62 -9.626 0.512 -2.061 1.00 0.00 C ATOM 935 C TYR A 62 -11.075 0.113 -1.891 1.00 0.00 C ATOM 936 O TYR A 62 -11.615 0.152 -0.786 1.00 0.00 O ATOM 937 CB TYR A 62 -8.785 -0.701 -2.461 1.00 0.00 C ATOM 938 CG TYR A 62 -8.406 -1.575 -1.296 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.351 -2.356 -0.653 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.099 -1.608 -0.831 1.00 0.00 C ATOM 941 CE1 TYR A 62 -9.002 -3.145 0.418 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.747 -2.398 0.241 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.705 -3.165 0.859 1.00 0.00 C ATOM 944 OH TYR A 62 -7.373 -3.959 1.924 1.00 0.00 O ATOM 0 H TYR A 62 -9.717 0.928 -0.016 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.552 1.254 -2.856 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.340 -1.296 -3.186 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.878 -0.357 -2.958 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.375 -2.346 -0.997 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.346 -1.005 -1.317 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.750 -3.748 0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.726 -2.414 0.593 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.084 -3.918 2.597 1.00 0.00 H new ATOM 954 N ASP A 63 -11.697 -0.248 -2.990 1.00 0.00 N ATOM 955 CA ASP A 63 -13.094 -0.598 -2.982 1.00 0.00 C ATOM 956 C ASP A 63 -13.245 -2.103 -3.079 1.00 0.00 C ATOM 957 O ASP A 63 -12.928 -2.714 -4.105 1.00 0.00 O ATOM 958 CB ASP A 63 -13.821 0.087 -4.132 1.00 0.00 C ATOM 959 CG ASP A 63 -15.265 0.391 -3.780 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.958 -0.515 -3.265 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.718 1.533 -4.017 1.00 0.00 O ATOM 0 H ASP A 63 -11.251 -0.306 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.540 -0.258 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.306 1.013 -4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.788 -0.551 -5.015 1.00 0.00 H new ATOM 966 N MET A 64 -13.727 -2.693 -2.000 1.00 0.00 N ATOM 967 CA MET A 64 -13.819 -4.140 -1.884 1.00 0.00 C ATOM 968 C MET A 64 -14.770 -4.706 -2.932 1.00 0.00 C ATOM 969 O MET A 64 -14.618 -5.848 -3.363 1.00 0.00 O ATOM 970 CB MET A 64 -14.264 -4.541 -0.465 1.00 0.00 C ATOM 971 CG MET A 64 -15.774 -4.554 -0.234 1.00 0.00 C ATOM 972 SD MET A 64 -16.585 -2.986 -0.615 1.00 0.00 S ATOM 973 CE MET A 64 -15.870 -1.903 0.616 1.00 0.00 C ATOM 0 H MET A 64 -14.065 -2.186 -1.182 1.00 0.00 H new ATOM 0 HA MET A 64 -12.830 -4.563 -2.063 1.00 0.00 H new ATOM 0 HB2 MET A 64 -13.871 -5.534 -0.246 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.810 -3.853 0.248 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.219 -5.340 -0.845 1.00 0.00 H new ATOM 0 HG3 MET A 64 -15.970 -4.810 0.807 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.253 -0.892 0.478 1.00 0.00 H new ATOM 0 HE2 MET A 64 -16.135 -2.258 1.612 1.00 0.00 H new ATOM 0 HE3 MET A 64 -14.785 -1.898 0.510 1.00 0.00 H new ATOM 983 N TYR A 65 -15.723 -3.886 -3.365 1.00 0.00 N ATOM 984 CA TYR A 65 -16.722 -4.308 -4.342 1.00 0.00 C ATOM 985 C TYR A 65 -16.064 -4.749 -5.651 1.00 0.00 C ATOM 986 O TYR A 65 -16.601 -5.591 -6.371 1.00 0.00 O ATOM 987 CB TYR A 65 -17.730 -3.171 -4.608 1.00 0.00 C ATOM 988 CG TYR A 65 -17.509 -2.415 -5.909 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.428 -1.557 -6.075 1.00 0.00 C ATOM 990 CD2 TYR A 65 -18.379 -2.576 -6.980 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.219 -0.887 -7.264 1.00 0.00 C ATOM 992 CE2 TYR A 65 -18.180 -1.907 -8.171 1.00 0.00 C ATOM 993 CZ TYR A 65 -17.097 -1.067 -8.307 1.00 0.00 C ATOM 994 OH TYR A 65 -16.886 -0.410 -9.499 1.00 0.00 O ATOM 0 H TYR A 65 -15.825 -2.920 -3.053 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.256 -5.163 -3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.736 -3.590 -4.614 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.685 -2.463 -3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.738 -1.412 -5.257 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -19.227 -3.237 -6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.372 -0.226 -7.374 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.869 -2.041 -8.991 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.243 -0.913 -10.041 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.892 -4.193 -5.951 1.00 0.00 N ATOM 1005 CA GLU A 66 -14.250 -4.438 -7.226 1.00 0.00 C ATOM 1006 C GLU A 66 -13.340 -5.638 -7.099 1.00 0.00 C ATOM 1007 O GLU A 66 -13.289 -6.500 -7.973 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.443 -3.218 -7.658 1.00 0.00 C ATOM 1009 CG GLU A 66 -13.210 -3.139 -9.156 1.00 0.00 C ATOM 1010 CD GLU A 66 -14.465 -2.752 -9.909 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -15.324 -3.625 -10.134 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -14.603 -1.561 -10.259 1.00 0.00 O ATOM 0 H GLU A 66 -14.375 -3.574 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.012 -4.632 -7.981 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.962 -2.316 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.479 -3.233 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.425 -2.411 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.854 -4.103 -9.518 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.644 -5.693 -5.976 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.704 -6.761 -5.713 1.00 0.00 C ATOM 1021 C VAL A 67 -12.448 -8.080 -5.527 1.00 0.00 C ATOM 1022 O VAL A 67 -11.931 -9.137 -5.865 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.829 -6.441 -4.479 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.319 -5.011 -4.562 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.587 -6.660 -3.180 1.00 0.00 C ATOM 0 H VAL A 67 -12.716 -5.003 -5.228 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.039 -6.855 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.981 -7.126 -4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.703 -4.793 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.723 -4.889 -5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.165 -4.324 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.938 -6.425 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.463 -6.012 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.904 -7.701 -3.115 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.678 -7.996 -5.009 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.569 -9.153 -4.893 1.00 0.00 C ATOM 1037 C TYR A 68 -14.746 -9.859 -6.234 1.00 0.00 C ATOM 1038 O TYR A 68 -14.980 -11.066 -6.278 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.947 -8.732 -4.377 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.135 -8.871 -2.882 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -15.987 -10.101 -2.253 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -16.488 -7.778 -2.102 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.185 -10.236 -0.892 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -16.683 -7.903 -0.742 1.00 0.00 C ATOM 1045 CZ TYR A 68 -16.533 -9.132 -0.141 1.00 0.00 C ATOM 1046 OH TYR A 68 -16.729 -9.256 1.216 1.00 0.00 O ATOM 0 H TYR A 68 -14.082 -7.127 -4.660 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.104 -9.839 -4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -16.122 -7.693 -4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.706 -9.329 -4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.712 -10.966 -2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.612 -6.812 -2.569 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.068 -11.200 -0.419 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -16.952 -7.040 -0.151 1.00 0.00 H new ATOM 0 HH TYR A 68 -16.968 -8.383 1.593 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.645 -9.105 -7.322 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.774 -9.684 -8.649 1.00 0.00 C ATOM 1058 C LYS A 69 -13.599 -10.606 -8.948 1.00 0.00 C ATOM 1059 O LYS A 69 -13.749 -11.633 -9.608 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.856 -8.601 -9.719 1.00 0.00 C ATOM 1061 CG LYS A 69 -16.203 -8.551 -10.424 1.00 0.00 C ATOM 1062 CD LYS A 69 -17.187 -7.678 -9.670 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.676 -6.254 -9.612 1.00 0.00 C ATOM 1064 NZ LYS A 69 -17.577 -5.349 -8.860 1.00 0.00 N ATOM 0 H LYS A 69 -14.475 -8.099 -7.310 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.699 -10.261 -8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.657 -7.632 -9.261 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.073 -8.771 -10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.073 -8.166 -11.435 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.605 -9.560 -10.517 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.160 -7.704 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.329 -8.064 -8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.690 -6.246 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.553 -5.876 -10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -17.281 -4.363 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -18.553 -5.472 -9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -17.530 -5.576 -7.846 1.00 0.00 H new ATOM 1078 N HIS A 70 -12.433 -10.235 -8.444 1.00 0.00 N ATOM 1079 CA HIS A 70 -11.216 -10.980 -8.706 1.00 0.00 C ATOM 1080 C HIS A 70 -10.972 -12.008 -7.606 1.00 0.00 C ATOM 1081 O HIS A 70 -10.382 -13.048 -7.875 1.00 0.00 O ATOM 1082 CB HIS A 70 -10.040 -10.007 -8.809 1.00 0.00 C ATOM 1083 CG HIS A 70 -8.784 -10.608 -9.367 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -8.514 -10.655 -10.716 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -7.713 -11.162 -8.756 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -7.334 -11.207 -10.910 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -6.821 -11.525 -9.738 1.00 0.00 N ATOM 0 H HIS A 70 -12.305 -9.417 -7.848 1.00 0.00 H new ATOM 0 HA HIS A 70 -11.318 -11.517 -9.649 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.335 -9.165 -9.436 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.827 -9.607 -7.818 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.582 -11.295 -7.692 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.865 -11.372 -11.869 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.914 -11.966 -9.585 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.426 -11.666 -6.382 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.364 -12.514 -5.173 1.00 0.00 C ATOM 1098 C LEU A 71 -11.091 -13.979 -5.496 1.00 0.00 C ATOM 1099 O LEU A 71 -12.012 -14.755 -5.757 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.677 -12.409 -4.382 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.594 -11.779 -2.974 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -11.802 -12.655 -2.011 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -11.982 -10.394 -3.034 1.00 0.00 C ATOM 0 H LEU A 71 -11.861 -10.761 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.531 -12.144 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.384 -11.827 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.094 -13.411 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.615 -11.698 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.766 -12.178 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.285 -13.628 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.788 -12.786 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.935 -9.973 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.976 -10.459 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.594 -9.753 -3.668 1.00 0.00 H new ATOM 1115 N PRO A 72 -9.811 -14.354 -5.509 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.384 -15.725 -5.788 1.00 0.00 C ATOM 1117 C PRO A 72 -9.931 -16.699 -4.750 1.00 0.00 C ATOM 1118 O PRO A 72 -10.145 -16.338 -3.596 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.854 -15.639 -5.718 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.552 -14.193 -5.927 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.674 -13.463 -5.267 1.00 0.00 C ATOM 0 HA PRO A 72 -9.747 -16.096 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.480 -15.988 -4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.386 -16.257 -6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.592 -13.923 -5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.495 -13.951 -6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.493 -13.315 -4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.830 -12.477 -5.704 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.156 -17.934 -5.180 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.832 -18.941 -4.363 1.00 0.00 C ATOM 1131 C GLN A 73 -10.033 -19.272 -3.100 1.00 0.00 C ATOM 1132 O GLN A 73 -10.591 -19.756 -2.118 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.073 -20.205 -5.197 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.432 -20.854 -4.967 1.00 0.00 C ATOM 1135 CD GLN A 73 -12.514 -21.656 -3.679 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -11.521 -22.220 -3.219 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.701 -21.720 -3.094 1.00 0.00 N ATOM 0 H GLN A 73 -9.877 -18.268 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.790 -18.533 -4.041 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.977 -19.954 -6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.293 -20.931 -4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.198 -20.078 -4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.659 -21.509 -5.808 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.500 -21.238 -3.507 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.816 -22.251 -2.231 1.00 0.00 H new ATOM 1146 N GLY A 74 -8.731 -19.004 -3.128 1.00 0.00 N ATOM 1147 CA GLY A 74 -7.901 -19.215 -1.955 1.00 0.00 C ATOM 1148 C GLY A 74 -7.961 -18.037 -1.005 1.00 0.00 C ATOM 1149 O GLY A 74 -7.529 -18.126 0.143 1.00 0.00 O ATOM 0 H GLY A 74 -8.235 -18.644 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.227 -20.117 -1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.869 -19.380 -2.265 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.496 -16.931 -1.499 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.677 -15.721 -0.710 1.00 0.00 C ATOM 1155 C ILE A 75 -10.100 -15.666 -0.160 1.00 0.00 C ATOM 1156 O ILE A 75 -11.066 -15.871 -0.893 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.432 -14.477 -1.586 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.074 -14.578 -2.282 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.515 -13.207 -0.751 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.910 -14.097 -1.444 1.00 0.00 C ATOM 0 H ILE A 75 -8.819 -16.847 -2.463 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.964 -15.734 0.114 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.209 -14.432 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.899 -15.616 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.107 -13.998 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.339 -12.340 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.505 -13.132 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.761 -13.238 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.985 -14.203 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.058 -13.049 -1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.847 -14.692 -0.533 1.00 0.00 H new ATOM 1172 N SER A 76 -10.233 -15.410 1.128 1.00 0.00 N ATOM 1173 CA SER A 76 -11.543 -15.300 1.741 1.00 0.00 C ATOM 1174 C SER A 76 -11.771 -13.876 2.227 1.00 0.00 C ATOM 1175 O SER A 76 -12.822 -13.553 2.787 1.00 0.00 O ATOM 1176 CB SER A 76 -11.641 -16.284 2.901 1.00 0.00 C ATOM 1177 OG SER A 76 -12.939 -16.288 3.477 1.00 0.00 O ATOM 0 H SER A 76 -9.451 -15.275 1.769 1.00 0.00 H new ATOM 0 HA SER A 76 -12.312 -15.539 1.007 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.395 -17.286 2.550 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.906 -16.024 3.662 1.00 0.00 H new ATOM 0 HG SER A 76 -13.331 -15.392 3.407 1.00 0.00 H new ATOM 1183 N SER A 77 -10.776 -13.033 2.010 1.00 0.00 N ATOM 1184 CA SER A 77 -10.826 -11.657 2.466 1.00 0.00 C ATOM 1185 C SER A 77 -10.369 -10.681 1.386 1.00 0.00 C ATOM 1186 O SER A 77 -9.238 -10.747 0.910 1.00 0.00 O ATOM 1187 CB SER A 77 -9.945 -11.507 3.691 1.00 0.00 C ATOM 1188 OG SER A 77 -10.492 -12.202 4.799 1.00 0.00 O ATOM 0 H SER A 77 -9.918 -13.281 1.517 1.00 0.00 H new ATOM 0 HA SER A 77 -11.862 -11.419 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.947 -11.889 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.836 -10.451 3.938 1.00 0.00 H new ATOM 0 HG SER A 77 -9.905 -12.092 5.576 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.270 -9.759 1.000 1.00 0.00 N ATOM 1195 CA PRO A 78 -10.998 -8.702 0.016 1.00 0.00 C ATOM 1196 C PRO A 78 -9.681 -7.974 0.242 1.00 0.00 C ATOM 1197 O PRO A 78 -8.995 -7.623 -0.710 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.163 -7.740 0.216 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.284 -8.611 0.648 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.666 -9.700 1.483 1.00 0.00 C ATOM 0 HA PRO A 78 -10.909 -9.115 -0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.932 -6.986 0.968 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.403 -7.209 -0.705 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.017 -8.046 1.224 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.807 -9.028 -0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.713 -9.465 2.546 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.179 -10.652 1.344 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.334 -7.728 1.496 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.085 -7.046 1.806 1.00 0.00 C ATOM 1210 C PHE A 79 -6.878 -7.856 1.320 1.00 0.00 C ATOM 1211 O PHE A 79 -5.880 -7.289 0.875 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.985 -6.755 3.314 1.00 0.00 C ATOM 1213 CG PHE A 79 -7.064 -7.665 4.085 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.522 -8.859 4.618 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.736 -7.313 4.280 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.671 -9.686 5.329 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.883 -8.133 4.989 1.00 0.00 C ATOM 1218 CZ PHE A 79 -5.351 -9.323 5.515 1.00 0.00 C ATOM 0 H PHE A 79 -9.893 -7.987 2.309 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.079 -6.094 1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.649 -5.727 3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.983 -6.823 3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.553 -9.147 4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.365 -6.385 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.038 -10.615 5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.852 -7.846 5.133 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.686 -9.968 6.070 1.00 0.00 H new ATOM 1228 N GLU A 80 -6.978 -9.178 1.381 1.00 0.00 N ATOM 1229 CA GLU A 80 -5.854 -10.031 1.048 1.00 0.00 C ATOM 1230 C GLU A 80 -5.753 -10.259 -0.458 1.00 0.00 C ATOM 1231 O GLU A 80 -4.680 -10.586 -0.968 1.00 0.00 O ATOM 1232 CB GLU A 80 -5.935 -11.362 1.801 1.00 0.00 C ATOM 1233 CG GLU A 80 -4.727 -12.248 1.562 1.00 0.00 C ATOM 1234 CD GLU A 80 -4.458 -13.209 2.696 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -5.147 -14.246 2.778 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -3.543 -12.931 3.503 1.00 0.00 O ATOM 0 H GLU A 80 -7.824 -9.677 1.657 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.946 -9.518 1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.029 -11.165 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.836 -11.893 1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.876 -12.814 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.849 -11.620 1.411 1.00 0.00 H new ATOM 1243 N SER A 81 -6.846 -10.054 -1.184 1.00 0.00 N ATOM 1244 CA SER A 81 -6.800 -10.206 -2.626 1.00 0.00 C ATOM 1245 C SER A 81 -6.105 -8.989 -3.204 1.00 0.00 C ATOM 1246 O SER A 81 -5.437 -9.054 -4.232 1.00 0.00 O ATOM 1247 CB SER A 81 -8.207 -10.362 -3.204 1.00 0.00 C ATOM 1248 OG SER A 81 -9.031 -9.270 -2.846 1.00 0.00 O ATOM 0 H SER A 81 -7.755 -9.788 -0.805 1.00 0.00 H new ATOM 0 HA SER A 81 -6.247 -11.108 -2.889 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.151 -10.438 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.651 -11.290 -2.842 1.00 0.00 H new ATOM 0 HG SER A 81 -8.621 -8.781 -2.103 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.269 -7.886 -2.496 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.598 -6.642 -2.818 1.00 0.00 C ATOM 1256 C VAL A 82 -4.101 -6.764 -2.590 1.00 0.00 C ATOM 1257 O VAL A 82 -3.303 -6.168 -3.319 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.138 -5.493 -1.961 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.403 -4.205 -2.276 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.632 -5.349 -2.168 1.00 0.00 C ATOM 0 H VAL A 82 -6.875 -7.829 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.790 -6.429 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.965 -5.719 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.800 -3.399 -1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.341 -4.332 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.540 -3.956 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -8.007 -4.530 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.835 -5.139 -3.218 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.130 -6.275 -1.880 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.722 -7.538 -1.572 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.317 -7.831 -1.334 1.00 0.00 C ATOM 1272 C LYS A 83 -1.712 -8.344 -2.622 1.00 0.00 C ATOM 1273 O LYS A 83 -0.690 -7.874 -3.072 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.144 -8.860 -0.208 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.425 -8.279 1.166 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.621 -9.353 2.225 1.00 0.00 C ATOM 1277 CE LYS A 83 -1.364 -10.173 2.463 1.00 0.00 C ATOM 1278 NZ LYS A 83 -1.509 -11.097 3.625 1.00 0.00 N ATOM 0 H LYS A 83 -4.365 -7.968 -0.907 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.807 -6.921 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.813 -9.702 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.127 -9.250 -0.232 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.598 -7.632 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.317 -7.655 1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.928 -8.885 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.431 -10.016 1.920 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.133 -10.750 1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.522 -9.503 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.729 -11.785 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.483 -10.550 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.416 -11.601 3.557 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.421 -9.243 -3.265 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.936 -9.862 -4.488 1.00 0.00 C ATOM 1294 C ARG A 84 -1.708 -8.813 -5.576 1.00 0.00 C ATOM 1295 O ARG A 84 -0.756 -8.910 -6.343 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.930 -10.911 -4.968 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.365 -11.857 -3.869 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.178 -12.613 -3.288 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.586 -13.634 -2.329 1.00 0.00 N ATOM 1300 CZ ARG A 84 -1.958 -13.885 -1.179 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -0.879 -13.188 -0.836 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -2.406 -14.846 -0.376 1.00 0.00 N ATOM 0 H ARG A 84 -3.340 -9.566 -2.964 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.982 -10.344 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.807 -10.412 -5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.481 -11.485 -5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.863 -11.295 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.093 -12.566 -4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.617 -13.081 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.505 -11.908 -2.800 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.408 -14.195 -2.553 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.527 -12.456 -1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.403 -13.385 0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.228 -15.389 -0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.928 -15.040 0.504 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.569 -7.798 -5.608 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.503 -6.758 -6.625 1.00 0.00 C ATOM 1318 C ASP A 85 -1.317 -5.835 -6.399 1.00 0.00 C ATOM 1319 O ASP A 85 -0.629 -5.446 -7.339 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.790 -5.924 -6.641 1.00 0.00 C ATOM 1321 CG ASP A 85 -5.003 -6.705 -7.112 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.954 -7.283 -8.219 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -6.018 -6.730 -6.388 1.00 0.00 O ATOM 0 H ASP A 85 -3.325 -7.676 -4.934 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.384 -7.259 -7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.980 -5.541 -5.638 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.647 -5.060 -7.290 1.00 0.00 H new ATOM 1328 N VAL A 86 -1.083 -5.464 -5.153 1.00 0.00 N ATOM 1329 CA VAL A 86 -0.006 -4.532 -4.849 1.00 0.00 C ATOM 1330 C VAL A 86 1.318 -5.266 -4.647 1.00 0.00 C ATOM 1331 O VAL A 86 2.338 -4.889 -5.227 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.327 -3.644 -3.620 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.563 -2.805 -3.890 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.515 -4.467 -2.352 1.00 0.00 C ATOM 0 H VAL A 86 -1.614 -5.787 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 86 0.090 -3.873 -5.712 1.00 0.00 H new ATOM 0 HB VAL A 86 0.528 -2.988 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.779 -2.185 -3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.387 -2.167 -4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.411 -3.460 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.738 -3.803 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.340 -5.166 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.399 -5.022 -2.140 1.00 0.00 H new ATOM 1344 N GLU A 87 1.279 -6.342 -3.876 1.00 0.00 N ATOM 1345 CA GLU A 87 2.470 -7.093 -3.522 1.00 0.00 C ATOM 1346 C GLU A 87 3.139 -7.694 -4.741 1.00 0.00 C ATOM 1347 O GLU A 87 4.325 -7.914 -4.725 1.00 0.00 O ATOM 1348 CB GLU A 87 2.125 -8.214 -2.556 1.00 0.00 C ATOM 1349 CG GLU A 87 1.470 -7.744 -1.265 1.00 0.00 C ATOM 1350 CD GLU A 87 2.308 -6.746 -0.503 1.00 0.00 C ATOM 1351 OE1 GLU A 87 3.168 -7.185 0.282 1.00 0.00 O ATOM 1352 OE2 GLU A 87 2.091 -5.532 -0.679 1.00 0.00 O ATOM 0 H GLU A 87 0.418 -6.718 -3.478 1.00 0.00 H new ATOM 0 HA GLU A 87 3.159 -6.391 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.457 -8.916 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.036 -8.760 -2.311 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.504 -7.296 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.276 -8.607 -0.628 1.00 0.00 H new