USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 732 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 64 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.18) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.054 K(o=-0.054,f=-2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 152:sc= -0.158 (180deg=-1.13) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0806 USER MOD Single : A 28 HIS : no HE2:sc= -8.6! C(o=-8.6!,f=-8.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 101:sc= 1.24 USER MOD Single : A 41 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.038) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.28 F(o=-0.79,f=-0.28) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.271 F(o=-1.1,f=-0.27) USER MOD Single : A 51 GLN : amide:sc= -0.796 X(o=-0.8,f=-0.5) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.082) USER MOD Single : A 60 GLN :FLIP amide:sc= -1.46! C(o=-3!,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= -3.55 K(o=-3.6,f=-8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0738 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.091 K(o=-0.091,f=-1.5!) USER MOD Single : A 74 THR OG1 : rot -175:sc= 0.484 USER MOD Single : A 90 GLN : amide:sc= -0.13 K(o=-0.13,f=-2.1!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.237 -38.946 28.457 1.00 0.00 N ATOM 2 CA GLY A 1 8.962 -38.673 27.229 1.00 0.00 C ATOM 3 C GLY A 1 8.185 -39.084 25.994 1.00 0.00 C ATOM 4 O GLY A 1 8.549 -40.043 25.314 1.00 0.00 O ATOM 0 H1 GLY A 1 8.810 -38.647 29.272 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.339 -38.421 28.454 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.042 -39.965 28.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.189 -37.608 27.174 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.915 -39.202 27.248 1.00 0.00 H new ATOM 8 N SER A 2 7.110 -38.358 25.705 1.00 0.00 N ATOM 9 CA SER A 2 6.276 -38.656 24.546 1.00 0.00 C ATOM 10 C SER A 2 6.641 -37.758 23.369 1.00 0.00 C ATOM 11 O SER A 2 7.463 -36.850 23.498 1.00 0.00 O ATOM 12 CB SER A 2 4.797 -38.480 24.897 1.00 0.00 C ATOM 13 OG SER A 2 4.337 -39.543 25.713 1.00 0.00 O ATOM 0 H SER A 2 6.796 -37.560 26.257 1.00 0.00 H new ATOM 0 HA SER A 2 6.453 -39.692 24.258 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.653 -37.532 25.415 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.205 -38.437 23.982 1.00 0.00 H new ATOM 0 HG SER A 2 3.390 -39.407 25.925 1.00 0.00 H new ATOM 19 N SER A 3 6.023 -38.017 22.221 1.00 0.00 N ATOM 20 CA SER A 3 6.286 -37.234 21.018 1.00 0.00 C ATOM 21 C SER A 3 4.986 -36.910 20.288 1.00 0.00 C ATOM 22 O SER A 3 3.940 -37.492 20.570 1.00 0.00 O ATOM 23 CB SER A 3 7.232 -37.995 20.086 1.00 0.00 C ATOM 24 OG SER A 3 8.584 -37.800 20.464 1.00 0.00 O ATOM 0 H SER A 3 5.337 -38.762 22.098 1.00 0.00 H new ATOM 0 HA SER A 3 6.758 -36.298 21.318 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.994 -39.058 20.110 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.086 -37.658 19.060 1.00 0.00 H new ATOM 0 HG SER A 3 9.169 -38.297 19.855 1.00 0.00 H new ATOM 30 N GLY A 4 5.062 -35.975 19.345 1.00 0.00 N ATOM 31 CA GLY A 4 3.886 -35.589 18.587 1.00 0.00 C ATOM 32 C GLY A 4 4.194 -34.547 17.530 1.00 0.00 C ATOM 33 O GLY A 4 3.919 -33.361 17.718 1.00 0.00 O ATOM 0 H GLY A 4 5.917 -35.478 19.093 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.459 -36.471 18.110 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.130 -35.198 19.268 1.00 0.00 H new ATOM 37 N SER A 5 4.768 -34.989 16.416 1.00 0.00 N ATOM 38 CA SER A 5 5.119 -34.085 15.326 1.00 0.00 C ATOM 39 C SER A 5 4.057 -33.003 15.155 1.00 0.00 C ATOM 40 O SER A 5 2.867 -33.296 15.051 1.00 0.00 O ATOM 41 CB SER A 5 5.283 -34.867 14.020 1.00 0.00 C ATOM 42 OG SER A 5 6.433 -35.693 14.061 1.00 0.00 O ATOM 0 H SER A 5 5.000 -35.967 16.244 1.00 0.00 H new ATOM 0 HA SER A 5 6.065 -33.605 15.575 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.398 -35.479 13.845 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.360 -34.172 13.184 1.00 0.00 H new ATOM 0 HG SER A 5 6.514 -36.183 13.216 1.00 0.00 H new ATOM 48 N SER A 6 4.499 -31.750 15.128 1.00 0.00 N ATOM 49 CA SER A 6 3.589 -30.622 14.972 1.00 0.00 C ATOM 50 C SER A 6 4.362 -29.316 14.817 1.00 0.00 C ATOM 51 O SER A 6 5.202 -28.976 15.650 1.00 0.00 O ATOM 52 CB SER A 6 2.648 -30.529 16.176 1.00 0.00 C ATOM 53 OG SER A 6 1.889 -29.334 16.140 1.00 0.00 O ATOM 0 H SER A 6 5.482 -31.491 15.212 1.00 0.00 H new ATOM 0 HA SER A 6 3.000 -30.785 14.069 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.978 -31.389 16.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.228 -30.567 17.098 1.00 0.00 H new ATOM 0 HG SER A 6 1.295 -29.300 16.919 1.00 0.00 H new ATOM 59 N GLY A 7 4.073 -28.587 13.743 1.00 0.00 N ATOM 60 CA GLY A 7 4.749 -27.327 13.496 1.00 0.00 C ATOM 61 C GLY A 7 3.831 -26.134 13.665 1.00 0.00 C ATOM 62 O GLY A 7 3.138 -25.740 12.726 1.00 0.00 O ATOM 0 H GLY A 7 3.382 -28.847 13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.593 -27.231 14.179 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.155 -27.328 12.485 1.00 0.00 H new ATOM 66 N GLU A 8 3.824 -25.558 14.862 1.00 0.00 N ATOM 67 CA GLU A 8 2.980 -24.404 15.149 1.00 0.00 C ATOM 68 C GLU A 8 3.417 -23.193 14.328 1.00 0.00 C ATOM 69 O GLU A 8 4.557 -22.741 14.430 1.00 0.00 O ATOM 70 CB GLU A 8 3.029 -24.066 16.641 1.00 0.00 C ATOM 71 CG GLU A 8 1.750 -23.435 17.164 1.00 0.00 C ATOM 72 CD GLU A 8 1.967 -22.653 18.446 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.438 -21.500 18.363 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.667 -23.195 19.529 1.00 0.00 O ATOM 0 H GLU A 8 4.393 -25.871 15.649 1.00 0.00 H new ATOM 0 HA GLU A 8 1.956 -24.658 14.875 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.232 -24.977 17.205 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.861 -23.386 16.824 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.339 -22.771 16.403 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.010 -24.215 17.340 1.00 0.00 H new ATOM 81 N GLN A 9 2.502 -22.676 13.515 1.00 0.00 N ATOM 82 CA GLN A 9 2.792 -21.520 12.676 1.00 0.00 C ATOM 83 C GLN A 9 2.774 -20.233 13.496 1.00 0.00 C ATOM 84 O GLN A 9 2.344 -20.228 14.649 1.00 0.00 O ATOM 85 CB GLN A 9 1.779 -21.425 11.534 1.00 0.00 C ATOM 86 CG GLN A 9 2.140 -22.278 10.328 1.00 0.00 C ATOM 87 CD GLN A 9 3.032 -21.549 9.343 1.00 0.00 C ATOM 88 OE1 GLN A 9 3.472 -20.428 9.597 1.00 0.00 O ATOM 89 NE2 GLN A 9 3.306 -22.186 8.210 1.00 0.00 N ATOM 0 H GLN A 9 1.554 -23.039 13.420 1.00 0.00 H new ATOM 0 HA GLN A 9 3.790 -21.648 12.257 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.799 -21.728 11.903 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.694 -20.385 11.220 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.643 -23.184 10.666 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.226 -22.591 9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.920 -23.115 8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.903 -21.746 7.509 1.00 0.00 H new ATOM 98 N GLU A 10 3.244 -19.146 12.892 1.00 0.00 N ATOM 99 CA GLU A 10 3.283 -17.854 13.568 1.00 0.00 C ATOM 100 C GLU A 10 2.414 -16.833 12.839 1.00 0.00 C ATOM 101 O GLU A 10 2.869 -15.737 12.511 1.00 0.00 O ATOM 102 CB GLU A 10 4.722 -17.344 13.659 1.00 0.00 C ATOM 103 CG GLU A 10 5.431 -17.281 12.317 1.00 0.00 C ATOM 104 CD GLU A 10 6.606 -16.323 12.324 1.00 0.00 C ATOM 105 OE1 GLU A 10 6.445 -15.190 12.823 1.00 0.00 O ATOM 106 OE2 GLU A 10 7.687 -16.705 11.828 1.00 0.00 O ATOM 0 H GLU A 10 3.603 -19.134 11.937 1.00 0.00 H new ATOM 0 HA GLU A 10 2.889 -17.987 14.576 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.719 -16.350 14.106 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.287 -17.992 14.329 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.781 -18.278 12.048 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.721 -16.974 11.549 1.00 0.00 H new ATOM 113 N ASP A 11 1.162 -17.200 12.589 1.00 0.00 N ATOM 114 CA ASP A 11 0.229 -16.317 11.900 1.00 0.00 C ATOM 115 C ASP A 11 0.076 -14.997 12.648 1.00 0.00 C ATOM 116 O ASP A 11 0.312 -13.925 12.091 1.00 0.00 O ATOM 117 CB ASP A 11 -1.134 -16.996 11.752 1.00 0.00 C ATOM 118 CG ASP A 11 -1.016 -18.491 11.532 1.00 0.00 C ATOM 119 OD1 ASP A 11 -0.674 -18.898 10.403 1.00 0.00 O ATOM 120 OD2 ASP A 11 -1.267 -19.253 12.489 1.00 0.00 O ATOM 0 H ASP A 11 0.770 -18.104 12.854 1.00 0.00 H new ATOM 0 HA ASP A 11 0.631 -16.107 10.909 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.728 -16.809 12.646 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.670 -16.550 10.914 1.00 0.00 H new ATOM 125 N ARG A 12 -0.321 -15.083 13.914 1.00 0.00 N ATOM 126 CA ARG A 12 -0.509 -13.896 14.739 1.00 0.00 C ATOM 127 C ARG A 12 0.543 -12.839 14.416 1.00 0.00 C ATOM 128 O ARG A 12 0.281 -11.639 14.506 1.00 0.00 O ATOM 129 CB ARG A 12 -0.440 -14.263 16.222 1.00 0.00 C ATOM 130 CG ARG A 12 0.715 -15.188 16.567 1.00 0.00 C ATOM 131 CD ARG A 12 0.830 -15.399 18.069 1.00 0.00 C ATOM 132 NE ARG A 12 -0.194 -16.310 18.573 1.00 0.00 N ATOM 133 CZ ARG A 12 -1.425 -15.927 18.895 1.00 0.00 C ATOM 134 NH1 ARG A 12 -1.783 -14.658 18.763 1.00 0.00 N ATOM 135 NH2 ARG A 12 -2.300 -16.817 19.347 1.00 0.00 N ATOM 0 H ARG A 12 -0.519 -15.963 14.390 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.494 -13.484 14.520 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.351 -13.349 16.810 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.376 -14.740 16.514 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.573 -16.149 16.073 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.646 -14.768 16.185 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.817 -15.797 18.305 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.743 -14.439 18.578 1.00 0.00 H new ATOM 0 HE ARG A 12 0.049 -17.294 18.684 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.113 -13.973 18.414 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.729 -14.366 19.011 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.027 -17.795 19.447 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.245 -16.523 19.594 1.00 0.00 H new ATOM 149 N ALA A 13 1.735 -13.293 14.040 1.00 0.00 N ATOM 150 CA ALA A 13 2.826 -12.386 13.702 1.00 0.00 C ATOM 151 C ALA A 13 2.741 -11.944 12.246 1.00 0.00 C ATOM 152 O ALA A 13 2.885 -10.760 11.936 1.00 0.00 O ATOM 153 CB ALA A 13 4.167 -13.050 13.977 1.00 0.00 C ATOM 0 H ALA A 13 1.969 -14.283 13.962 1.00 0.00 H new ATOM 0 HA ALA A 13 2.736 -11.499 14.329 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.973 -12.362 13.720 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.234 -13.310 15.033 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.256 -13.954 13.374 1.00 0.00 H new ATOM 159 N LEU A 14 2.507 -12.900 11.354 1.00 0.00 N ATOM 160 CA LEU A 14 2.403 -12.609 9.928 1.00 0.00 C ATOM 161 C LEU A 14 1.348 -11.539 9.666 1.00 0.00 C ATOM 162 O LEU A 14 1.592 -10.578 8.938 1.00 0.00 O ATOM 163 CB LEU A 14 2.061 -13.880 9.151 1.00 0.00 C ATOM 164 CG LEU A 14 3.102 -14.999 9.203 1.00 0.00 C ATOM 165 CD1 LEU A 14 2.464 -16.339 8.866 1.00 0.00 C ATOM 166 CD2 LEU A 14 4.254 -14.702 8.254 1.00 0.00 C ATOM 0 H LEU A 14 2.386 -13.884 11.593 1.00 0.00 H new ATOM 0 HA LEU A 14 3.368 -12.232 9.588 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.117 -14.271 9.531 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.898 -13.611 8.107 1.00 0.00 H new ATOM 0 HG LEU A 14 3.498 -15.053 10.217 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.220 -17.123 8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.675 -16.557 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.040 -16.298 7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.985 -15.509 8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.874 -14.620 7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.729 -13.764 8.541 1.00 0.00 H new ATOM 178 N ARG A 15 0.175 -11.713 10.267 1.00 0.00 N ATOM 179 CA ARG A 15 -0.917 -10.763 10.100 1.00 0.00 C ATOM 180 C ARG A 15 -0.549 -9.403 10.685 1.00 0.00 C ATOM 181 O ARG A 15 -1.072 -8.372 10.262 1.00 0.00 O ATOM 182 CB ARG A 15 -2.188 -11.291 10.768 1.00 0.00 C ATOM 183 CG ARG A 15 -2.059 -11.460 12.272 1.00 0.00 C ATOM 184 CD ARG A 15 -3.329 -12.039 12.878 1.00 0.00 C ATOM 185 NE ARG A 15 -3.576 -13.406 12.426 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.687 -14.081 12.700 1.00 0.00 C ATOM 187 NH1 ARG A 15 -5.647 -13.518 13.422 1.00 0.00 N ATOM 188 NH2 ARG A 15 -4.839 -15.320 12.253 1.00 0.00 N ATOM 0 H ARG A 15 -0.043 -12.503 10.874 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.100 -10.642 9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.010 -10.607 10.557 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.450 -12.251 10.324 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.217 -12.115 12.495 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.843 -10.495 12.731 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.251 -12.025 13.965 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.178 -11.410 12.611 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.856 -13.867 11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.533 -12.565 13.768 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.499 -14.038 13.631 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.102 -15.756 11.698 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.692 -15.837 12.464 1.00 0.00 H new ATOM 202 N SER A 16 0.353 -9.409 11.662 1.00 0.00 N ATOM 203 CA SER A 16 0.787 -8.177 12.309 1.00 0.00 C ATOM 204 C SER A 16 2.014 -7.600 11.610 1.00 0.00 C ATOM 205 O SER A 16 2.867 -6.976 12.242 1.00 0.00 O ATOM 206 CB SER A 16 1.100 -8.434 13.784 1.00 0.00 C ATOM 207 OG SER A 16 -0.070 -8.327 14.579 1.00 0.00 O ATOM 0 H SER A 16 0.797 -10.254 12.022 1.00 0.00 H new ATOM 0 HA SER A 16 -0.024 -7.453 12.238 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.533 -9.428 13.900 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.846 -7.719 14.131 1.00 0.00 H new ATOM 0 HG SER A 16 0.155 -8.497 15.517 1.00 0.00 H new ATOM 213 N PHE A 17 2.096 -7.813 10.301 1.00 0.00 N ATOM 214 CA PHE A 17 3.220 -7.316 9.515 1.00 0.00 C ATOM 215 C PHE A 17 2.929 -5.919 8.974 1.00 0.00 C ATOM 216 O PHE A 17 2.010 -5.727 8.178 1.00 0.00 O ATOM 217 CB PHE A 17 3.522 -8.269 8.357 1.00 0.00 C ATOM 218 CG PHE A 17 4.186 -7.602 7.187 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.432 -6.941 6.231 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.563 -7.635 7.044 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.041 -6.326 5.153 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.178 -7.021 5.969 1.00 0.00 C ATOM 223 CZ PHE A 17 5.416 -6.365 5.023 1.00 0.00 C ATOM 0 H PHE A 17 1.398 -8.326 9.762 1.00 0.00 H new ATOM 0 HA PHE A 17 4.091 -7.261 10.168 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.163 -9.074 8.717 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.591 -8.728 8.023 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.357 -6.906 6.329 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.164 -8.147 7.781 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.442 -5.815 4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.253 -7.054 5.869 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.894 -5.883 4.183 1.00 0.00 H new ATOM 233 N LYS A 18 3.720 -4.944 9.414 1.00 0.00 N ATOM 234 CA LYS A 18 3.549 -3.564 8.976 1.00 0.00 C ATOM 235 C LYS A 18 4.551 -3.214 7.880 1.00 0.00 C ATOM 236 O LYS A 18 5.761 -3.358 8.061 1.00 0.00 O ATOM 237 CB LYS A 18 3.716 -2.608 10.159 1.00 0.00 C ATOM 238 CG LYS A 18 3.736 -1.142 9.758 1.00 0.00 C ATOM 239 CD LYS A 18 3.346 -0.242 10.918 1.00 0.00 C ATOM 240 CE LYS A 18 1.838 -0.056 10.997 1.00 0.00 C ATOM 241 NZ LYS A 18 1.196 -1.092 11.852 1.00 0.00 N ATOM 0 H LYS A 18 4.485 -5.085 10.073 1.00 0.00 H new ATOM 0 HA LYS A 18 2.542 -3.459 8.571 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.902 -2.772 10.865 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.643 -2.846 10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.732 -0.873 9.407 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.051 -0.982 8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.710 -0.671 11.851 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.828 0.729 10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.614 0.934 11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.414 -0.099 9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.324 -0.707 12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.965 -1.925 11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.850 -1.369 12.612 1.00 0.00 H new ATOM 255 N LEU A 19 4.040 -2.754 6.743 1.00 0.00 N ATOM 256 CA LEU A 19 4.890 -2.381 5.618 1.00 0.00 C ATOM 257 C LEU A 19 4.827 -0.878 5.361 1.00 0.00 C ATOM 258 O LEU A 19 3.849 -0.220 5.713 1.00 0.00 O ATOM 259 CB LEU A 19 4.468 -3.143 4.361 1.00 0.00 C ATOM 260 CG LEU A 19 5.049 -2.634 3.041 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.508 -3.040 2.907 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.237 -3.156 1.864 1.00 0.00 C ATOM 0 H LEU A 19 3.041 -2.630 6.576 1.00 0.00 H new ATOM 0 HA LEU A 19 5.918 -2.645 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.753 -4.188 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.381 -3.115 4.291 1.00 0.00 H new ATOM 0 HG LEU A 19 4.996 -1.545 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.904 -2.669 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.081 -2.616 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.587 -4.127 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.665 -2.784 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.258 -4.246 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.206 -2.813 1.952 1.00 0.00 H new ATOM 274 N SER A 20 5.877 -0.344 4.744 1.00 0.00 N ATOM 275 CA SER A 20 5.941 1.081 4.443 1.00 0.00 C ATOM 276 C SER A 20 6.467 1.313 3.029 1.00 0.00 C ATOM 277 O SER A 20 7.608 0.975 2.716 1.00 0.00 O ATOM 278 CB SER A 20 6.835 1.799 5.456 1.00 0.00 C ATOM 279 OG SER A 20 6.080 2.266 6.560 1.00 0.00 O ATOM 0 H SER A 20 6.694 -0.876 4.443 1.00 0.00 H new ATOM 0 HA SER A 20 4.932 1.487 4.509 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.613 1.120 5.805 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.336 2.638 4.973 1.00 0.00 H new ATOM 0 HG SER A 20 6.674 2.720 7.194 1.00 0.00 H new ATOM 285 N VAL A 21 5.625 1.893 2.179 1.00 0.00 N ATOM 286 CA VAL A 21 6.004 2.171 0.799 1.00 0.00 C ATOM 287 C VAL A 21 6.549 3.588 0.654 1.00 0.00 C ATOM 288 O VAL A 21 5.860 4.563 0.952 1.00 0.00 O ATOM 289 CB VAL A 21 4.810 1.991 -0.158 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.293 1.844 -1.593 1.00 0.00 C ATOM 291 CG2 VAL A 21 3.971 0.793 0.257 1.00 0.00 C ATOM 0 H VAL A 21 4.677 2.179 2.422 1.00 0.00 H new ATOM 0 HA VAL A 21 6.783 1.456 0.534 1.00 0.00 H new ATOM 0 HB VAL A 21 4.183 2.881 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.436 1.718 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.847 2.736 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.943 0.972 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.132 0.681 -0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.585 -0.108 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.594 0.946 1.268 1.00 0.00 H new ATOM 301 N THR A 22 7.791 3.694 0.194 1.00 0.00 N ATOM 302 CA THR A 22 8.429 4.991 0.010 1.00 0.00 C ATOM 303 C THR A 22 7.964 5.655 -1.281 1.00 0.00 C ATOM 304 O THR A 22 8.492 5.381 -2.358 1.00 0.00 O ATOM 305 CB THR A 22 9.964 4.862 -0.018 1.00 0.00 C ATOM 306 OG1 THR A 22 10.405 4.018 1.052 1.00 0.00 O ATOM 307 CG2 THR A 22 10.624 6.227 0.102 1.00 0.00 C ATOM 0 H THR A 22 8.375 2.897 -0.058 1.00 0.00 H new ATOM 0 HA THR A 22 8.138 5.610 0.859 1.00 0.00 H new ATOM 0 HB THR A 22 10.252 4.419 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.382 3.940 1.026 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.708 6.110 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.310 6.857 -0.730 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.328 6.693 1.042 1.00 0.00 H new ATOM 315 N VAL A 23 6.970 6.531 -1.165 1.00 0.00 N ATOM 316 CA VAL A 23 6.433 7.235 -2.323 1.00 0.00 C ATOM 317 C VAL A 23 6.089 8.680 -1.975 1.00 0.00 C ATOM 318 O VAL A 23 5.383 8.943 -1.003 1.00 0.00 O ATOM 319 CB VAL A 23 5.175 6.537 -2.873 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.394 7.478 -3.777 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.554 5.264 -3.613 1.00 0.00 C ATOM 0 H VAL A 23 6.521 6.770 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 23 7.209 7.222 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 23 4.535 6.265 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.509 6.967 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.090 8.358 -3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.022 7.784 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.653 4.783 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.215 5.509 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.066 4.585 -2.931 1.00 0.00 H new ATOM 331 N ASP A 24 6.592 9.611 -2.778 1.00 0.00 N ATOM 332 CA ASP A 24 6.336 11.030 -2.556 1.00 0.00 C ATOM 333 C ASP A 24 4.878 11.266 -2.175 1.00 0.00 C ATOM 334 O ASP A 24 3.966 10.604 -2.671 1.00 0.00 O ATOM 335 CB ASP A 24 6.686 11.834 -3.810 1.00 0.00 C ATOM 336 CG ASP A 24 8.168 12.133 -3.912 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.821 12.263 -2.855 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.676 12.238 -5.048 1.00 0.00 O ATOM 0 H ASP A 24 7.179 9.409 -3.588 1.00 0.00 H new ATOM 0 HA ASP A 24 6.966 11.364 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.369 11.280 -4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.129 12.771 -3.804 1.00 0.00 H new ATOM 343 N PRO A 25 4.651 12.232 -1.273 1.00 0.00 N ATOM 344 CA PRO A 25 3.306 12.578 -0.804 1.00 0.00 C ATOM 345 C PRO A 25 2.473 13.257 -1.885 1.00 0.00 C ATOM 346 O PRO A 25 1.328 13.645 -1.650 1.00 0.00 O ATOM 347 CB PRO A 25 3.571 13.544 0.353 1.00 0.00 C ATOM 348 CG PRO A 25 4.904 14.139 0.053 1.00 0.00 C ATOM 349 CD PRO A 25 5.692 13.061 -0.640 1.00 0.00 C ATOM 0 HA PRO A 25 2.734 11.695 -0.517 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.799 14.312 0.412 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.577 13.023 1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.804 15.019 -0.582 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.403 14.460 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.379 13.476 -1.377 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.291 12.485 0.065 1.00 0.00 H new ATOM 357 N LYS A 26 3.054 13.398 -3.072 1.00 0.00 N ATOM 358 CA LYS A 26 2.364 14.029 -4.191 1.00 0.00 C ATOM 359 C LYS A 26 1.431 13.040 -4.883 1.00 0.00 C ATOM 360 O LYS A 26 0.296 13.375 -5.221 1.00 0.00 O ATOM 361 CB LYS A 26 3.378 14.579 -5.197 1.00 0.00 C ATOM 362 CG LYS A 26 4.264 13.510 -5.813 1.00 0.00 C ATOM 363 CD LYS A 26 5.577 14.093 -6.311 1.00 0.00 C ATOM 364 CE LYS A 26 5.371 14.946 -7.554 1.00 0.00 C ATOM 365 NZ LYS A 26 6.492 15.905 -7.759 1.00 0.00 N ATOM 0 H LYS A 26 4.001 13.084 -3.284 1.00 0.00 H new ATOM 0 HA LYS A 26 1.766 14.852 -3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.843 15.099 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.006 15.318 -4.700 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.466 12.734 -5.075 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.739 13.034 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.030 14.697 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.274 13.285 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.281 14.300 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.434 15.496 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.315 16.468 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.562 16.538 -6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.383 15.380 -7.868 1.00 0.00 H new ATOM 379 N TYR A 27 1.916 11.821 -5.088 1.00 0.00 N ATOM 380 CA TYR A 27 1.126 10.784 -5.741 1.00 0.00 C ATOM 381 C TYR A 27 0.178 10.117 -4.749 1.00 0.00 C ATOM 382 O TYR A 27 -0.770 9.434 -5.140 1.00 0.00 O ATOM 383 CB TYR A 27 2.044 9.735 -6.372 1.00 0.00 C ATOM 384 CG TYR A 27 3.099 10.322 -7.281 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.771 11.283 -8.228 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.424 9.915 -7.192 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.733 11.822 -9.062 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.392 10.448 -8.021 1.00 0.00 C ATOM 389 CZ TYR A 27 5.042 11.401 -8.954 1.00 0.00 C ATOM 390 OH TYR A 27 6.002 11.936 -9.782 1.00 0.00 O ATOM 0 H TYR A 27 2.853 11.526 -4.811 1.00 0.00 H new ATOM 0 HA TYR A 27 0.531 11.254 -6.524 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.533 9.169 -5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.438 9.029 -6.941 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.747 11.615 -8.315 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.702 9.169 -6.462 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.461 12.568 -9.794 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.418 10.120 -7.939 1.00 0.00 H new ATOM 0 HH TYR A 27 6.872 11.534 -9.577 1.00 0.00 H new ATOM 400 N HIS A 28 0.441 10.319 -3.463 1.00 0.00 N ATOM 401 CA HIS A 28 -0.389 9.739 -2.412 1.00 0.00 C ATOM 402 C HIS A 28 -1.870 9.965 -2.702 1.00 0.00 C ATOM 403 O HIS A 28 -2.651 9.024 -2.841 1.00 0.00 O ATOM 404 CB HIS A 28 -0.025 10.341 -1.054 1.00 0.00 C ATOM 405 CG HIS A 28 0.987 9.537 -0.295 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.132 9.611 1.074 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.905 8.640 -0.722 1.00 0.00 C ATOM 408 CE1 HIS A 28 2.097 8.793 1.457 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.583 8.192 0.386 1.00 0.00 N ATOM 0 H HIS A 28 1.222 10.880 -3.122 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.202 8.666 -2.387 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.362 11.349 -1.204 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.929 10.433 -0.452 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.581 10.204 1.694 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.074 8.333 -1.744 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.431 8.642 2.473 1.00 0.00 H new ATOM 417 N PRO A 29 -2.266 11.243 -2.794 1.00 0.00 N ATOM 418 CA PRO A 29 -3.655 11.623 -3.067 1.00 0.00 C ATOM 419 C PRO A 29 -4.078 11.286 -4.493 1.00 0.00 C ATOM 420 O PRO A 29 -5.244 11.437 -4.859 1.00 0.00 O ATOM 421 CB PRO A 29 -3.657 13.139 -2.853 1.00 0.00 C ATOM 422 CG PRO A 29 -2.249 13.558 -3.102 1.00 0.00 C ATOM 423 CD PRO A 29 -1.388 12.416 -2.639 1.00 0.00 C ATOM 0 HA PRO A 29 -4.357 11.088 -2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.345 13.635 -3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.974 13.396 -1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.085 13.766 -4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.012 14.471 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.484 12.324 -3.241 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.070 12.546 -1.605 1.00 0.00 H new ATOM 431 N LYS A 30 -3.123 10.830 -5.297 1.00 0.00 N ATOM 432 CA LYS A 30 -3.397 10.470 -6.683 1.00 0.00 C ATOM 433 C LYS A 30 -3.683 8.976 -6.810 1.00 0.00 C ATOM 434 O LYS A 30 -4.315 8.537 -7.771 1.00 0.00 O ATOM 435 CB LYS A 30 -2.211 10.850 -7.573 1.00 0.00 C ATOM 436 CG LYS A 30 -1.981 12.348 -7.672 1.00 0.00 C ATOM 437 CD LYS A 30 -2.874 12.980 -8.727 1.00 0.00 C ATOM 438 CE LYS A 30 -3.134 14.449 -8.429 1.00 0.00 C ATOM 439 NZ LYS A 30 -4.318 14.634 -7.544 1.00 0.00 N ATOM 0 H LYS A 30 -2.152 10.701 -5.012 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.280 11.020 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.309 10.377 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.375 10.449 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.175 12.812 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.936 12.542 -7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.406 12.884 -9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.822 12.443 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.255 14.885 -7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.292 14.987 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.462 15.648 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.162 14.241 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.157 14.142 -6.642 1.00 0.00 H new ATOM 453 N ILE A 31 -3.216 8.203 -5.836 1.00 0.00 N ATOM 454 CA ILE A 31 -3.424 6.762 -5.840 1.00 0.00 C ATOM 455 C ILE A 31 -4.762 6.398 -5.205 1.00 0.00 C ATOM 456 O ILE A 31 -5.502 5.562 -5.726 1.00 0.00 O ATOM 457 CB ILE A 31 -2.297 6.027 -5.090 1.00 0.00 C ATOM 458 CG1 ILE A 31 -0.934 6.421 -5.663 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.498 4.521 -5.174 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.190 6.351 -4.652 1.00 0.00 C ATOM 0 H ILE A 31 -2.691 8.551 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.421 6.447 -6.883 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.328 6.319 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.699 5.766 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.994 7.435 -6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.693 4.016 -4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.455 4.256 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.490 4.211 -6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.126 6.643 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.023 7.027 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.277 5.332 -4.275 1.00 0.00 H new ATOM 472 N ILE A 32 -5.067 7.032 -4.077 1.00 0.00 N ATOM 473 CA ILE A 32 -6.318 6.778 -3.372 1.00 0.00 C ATOM 474 C ILE A 32 -7.486 6.670 -4.346 1.00 0.00 C ATOM 475 O ILE A 32 -8.273 5.727 -4.286 1.00 0.00 O ATOM 476 CB ILE A 32 -6.621 7.886 -2.346 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.557 7.896 -1.245 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.006 7.691 -1.749 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.526 9.180 -0.447 1.00 0.00 C ATOM 0 H ILE A 32 -4.465 7.725 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.197 5.831 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.599 8.849 -2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.738 7.061 -0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.578 7.734 -1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.205 8.482 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.753 7.728 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.054 6.723 -1.250 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.749 9.116 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.314 10.017 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.493 9.334 0.033 1.00 0.00 H new ATOM 491 N GLY A 33 -7.590 7.643 -5.247 1.00 0.00 N ATOM 492 CA GLY A 33 -8.664 7.638 -6.223 1.00 0.00 C ATOM 493 C GLY A 33 -9.582 8.836 -6.081 1.00 0.00 C ATOM 494 O GLY A 33 -9.737 9.381 -4.988 1.00 0.00 O ATOM 0 H GLY A 33 -6.950 8.434 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.239 7.627 -7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.246 6.723 -6.113 1.00 0.00 H new ATOM 498 N ARG A 34 -10.191 9.247 -7.189 1.00 0.00 N ATOM 499 CA ARG A 34 -11.096 10.390 -7.184 1.00 0.00 C ATOM 500 C ARG A 34 -12.016 10.349 -5.967 1.00 0.00 C ATOM 501 O ARG A 34 -12.132 11.328 -5.229 1.00 0.00 O ATOM 502 CB ARG A 34 -11.929 10.414 -8.467 1.00 0.00 C ATOM 503 CG ARG A 34 -11.216 11.056 -9.644 1.00 0.00 C ATOM 504 CD ARG A 34 -11.371 12.568 -9.632 1.00 0.00 C ATOM 505 NE ARG A 34 -10.339 13.218 -8.828 1.00 0.00 N ATOM 506 CZ ARG A 34 -10.436 14.463 -8.374 1.00 0.00 C ATOM 507 NH1 ARG A 34 -11.512 15.189 -8.645 1.00 0.00 N ATOM 508 NH2 ARG A 34 -9.456 14.984 -7.648 1.00 0.00 N ATOM 0 H ARG A 34 -10.074 8.805 -8.101 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.495 11.298 -7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.202 9.393 -8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.857 10.953 -8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.158 10.798 -9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.616 10.656 -10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.326 12.945 -10.654 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.354 12.828 -9.239 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.498 12.687 -8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.268 14.792 -9.203 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.584 16.144 -8.295 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.627 14.429 -7.438 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.532 15.940 -7.300 1.00 0.00 H new ATOM 522 N LYS A 35 -12.670 9.211 -5.764 1.00 0.00 N ATOM 523 CA LYS A 35 -13.580 9.041 -4.637 1.00 0.00 C ATOM 524 C LYS A 35 -12.973 8.121 -3.582 1.00 0.00 C ATOM 525 O LYS A 35 -13.348 8.171 -2.412 1.00 0.00 O ATOM 526 CB LYS A 35 -14.917 8.472 -5.117 1.00 0.00 C ATOM 527 CG LYS A 35 -14.786 7.153 -5.857 1.00 0.00 C ATOM 528 CD LYS A 35 -16.059 6.808 -6.612 1.00 0.00 C ATOM 529 CE LYS A 35 -16.155 5.316 -6.893 1.00 0.00 C ATOM 530 NZ LYS A 35 -17.126 5.018 -7.981 1.00 0.00 N ATOM 0 H LYS A 35 -12.587 8.392 -6.366 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.749 10.019 -4.187 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.573 8.333 -4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.398 9.199 -5.771 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.951 7.208 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.556 6.358 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.925 7.126 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.086 7.359 -7.552 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.172 4.934 -7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.456 4.794 -5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.162 3.991 -8.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.070 5.359 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.825 5.495 -8.855 1.00 0.00 H new ATOM 544 N GLY A 36 -12.032 7.283 -4.005 1.00 0.00 N ATOM 545 CA GLY A 36 -11.388 6.365 -3.083 1.00 0.00 C ATOM 546 C GLY A 36 -11.727 4.917 -3.375 1.00 0.00 C ATOM 547 O GLY A 36 -11.693 4.072 -2.480 1.00 0.00 O ATOM 0 H GLY A 36 -11.704 7.223 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.308 6.500 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.690 6.607 -2.064 1.00 0.00 H new ATOM 551 N ALA A 37 -12.057 4.629 -4.630 1.00 0.00 N ATOM 552 CA ALA A 37 -12.404 3.273 -5.037 1.00 0.00 C ATOM 553 C ALA A 37 -11.180 2.525 -5.554 1.00 0.00 C ATOM 554 O ALA A 37 -11.050 1.317 -5.357 1.00 0.00 O ATOM 555 CB ALA A 37 -13.494 3.304 -6.098 1.00 0.00 C ATOM 0 H ALA A 37 -12.091 5.317 -5.382 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.779 2.742 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.744 2.285 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.381 3.792 -5.694 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.139 3.857 -6.968 1.00 0.00 H new ATOM 561 N VAL A 38 -10.285 3.251 -6.218 1.00 0.00 N ATOM 562 CA VAL A 38 -9.072 2.655 -6.764 1.00 0.00 C ATOM 563 C VAL A 38 -8.295 1.907 -5.687 1.00 0.00 C ATOM 564 O VAL A 38 -8.027 0.713 -5.818 1.00 0.00 O ATOM 565 CB VAL A 38 -8.158 3.723 -7.393 1.00 0.00 C ATOM 566 CG1 VAL A 38 -6.889 3.086 -7.939 1.00 0.00 C ATOM 567 CG2 VAL A 38 -8.897 4.480 -8.488 1.00 0.00 C ATOM 0 H VAL A 38 -10.378 4.252 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.383 1.952 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.875 4.435 -6.618 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.256 3.856 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.351 2.594 -7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.149 2.351 -8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.236 5.231 -8.921 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.212 3.782 -9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.773 4.970 -8.064 1.00 0.00 H new ATOM 577 N ILE A 39 -7.936 2.617 -4.623 1.00 0.00 N ATOM 578 CA ILE A 39 -7.190 2.021 -3.522 1.00 0.00 C ATOM 579 C ILE A 39 -7.977 0.885 -2.877 1.00 0.00 C ATOM 580 O ILE A 39 -7.411 -0.139 -2.491 1.00 0.00 O ATOM 581 CB ILE A 39 -6.841 3.065 -2.445 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.090 2.404 -1.288 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.104 3.750 -1.943 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.724 1.883 -1.673 1.00 0.00 C ATOM 0 H ILE A 39 -8.150 3.607 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.266 1.627 -3.945 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.193 3.821 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.980 3.125 -0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.689 1.579 -0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.841 4.485 -1.182 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.602 4.250 -2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.775 3.006 -1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.250 1.428 -0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.828 1.138 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.108 2.708 -2.032 1.00 0.00 H new ATOM 596 N THR A 40 -9.290 1.072 -2.764 1.00 0.00 N ATOM 597 CA THR A 40 -10.156 0.064 -2.166 1.00 0.00 C ATOM 598 C THR A 40 -10.038 -1.267 -2.900 1.00 0.00 C ATOM 599 O THR A 40 -9.750 -2.298 -2.293 1.00 0.00 O ATOM 600 CB THR A 40 -11.628 0.513 -2.174 1.00 0.00 C ATOM 601 OG1 THR A 40 -11.785 1.695 -1.380 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.533 -0.587 -1.639 1.00 0.00 C ATOM 0 H THR A 40 -9.775 1.912 -3.079 1.00 0.00 H new ATOM 0 HA THR A 40 -9.828 -0.063 -1.134 1.00 0.00 H new ATOM 0 HB THR A 40 -11.913 0.727 -3.204 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.833 2.479 -1.966 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.568 -0.246 -1.654 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.434 -1.475 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.246 -0.829 -0.616 1.00 0.00 H new ATOM 610 N GLN A 41 -10.263 -1.238 -4.210 1.00 0.00 N ATOM 611 CA GLN A 41 -10.182 -2.443 -5.026 1.00 0.00 C ATOM 612 C GLN A 41 -8.885 -3.196 -4.757 1.00 0.00 C ATOM 613 O GLN A 41 -8.900 -4.388 -4.445 1.00 0.00 O ATOM 614 CB GLN A 41 -10.281 -2.086 -6.511 1.00 0.00 C ATOM 615 CG GLN A 41 -10.165 -3.289 -7.434 1.00 0.00 C ATOM 616 CD GLN A 41 -11.271 -4.303 -7.214 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.452 -3.956 -7.196 1.00 0.00 O ATOM 618 NE2 GLN A 41 -10.892 -5.565 -7.043 1.00 0.00 N ATOM 0 H GLN A 41 -10.503 -0.393 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.018 -3.090 -4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.233 -1.588 -6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.495 -1.372 -6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.188 -2.951 -8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.200 -3.770 -7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.902 -5.808 -7.066 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.592 -6.291 -6.889 1.00 0.00 H new ATOM 627 N ILE A 42 -7.763 -2.495 -4.880 1.00 0.00 N ATOM 628 CA ILE A 42 -6.456 -3.098 -4.649 1.00 0.00 C ATOM 629 C ILE A 42 -6.391 -3.759 -3.276 1.00 0.00 C ATOM 630 O ILE A 42 -5.879 -4.871 -3.134 1.00 0.00 O ATOM 631 CB ILE A 42 -5.327 -2.056 -4.759 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.272 -1.479 -6.175 1.00 0.00 C ATOM 633 CG2 ILE A 42 -3.992 -2.680 -4.383 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.462 -0.207 -6.277 1.00 0.00 C ATOM 0 H ILE A 42 -7.733 -1.509 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.317 -3.855 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.534 -1.243 -4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.848 -2.225 -6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.288 -1.282 -6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.204 -1.931 -4.466 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.038 -3.047 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.776 -3.510 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.466 0.145 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.898 0.555 -5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.436 -0.403 -5.965 1.00 0.00 H new ATOM 646 N ARG A 43 -6.912 -3.069 -2.268 1.00 0.00 N ATOM 647 CA ARG A 43 -6.914 -3.589 -0.905 1.00 0.00 C ATOM 648 C ARG A 43 -7.598 -4.952 -0.844 1.00 0.00 C ATOM 649 O ARG A 43 -6.979 -5.953 -0.481 1.00 0.00 O ATOM 650 CB ARG A 43 -7.618 -2.610 0.036 1.00 0.00 C ATOM 651 CG ARG A 43 -6.762 -1.417 0.425 1.00 0.00 C ATOM 652 CD ARG A 43 -7.613 -0.260 0.927 1.00 0.00 C ATOM 653 NE ARG A 43 -8.329 -0.600 2.153 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.205 0.207 2.740 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.472 1.396 2.215 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.817 -0.172 3.855 1.00 0.00 N ATOM 0 H ARG A 43 -7.339 -2.148 -2.368 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.878 -3.707 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.530 -2.252 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.919 -3.140 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.055 -1.713 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.176 -1.093 -0.435 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.977 0.607 1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.329 0.025 0.156 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.146 -1.507 2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.004 1.692 1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.145 2.014 2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.615 -1.085 4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.490 0.450 4.304 1.00 0.00 H new ATOM 670 N LEU A 44 -8.876 -4.982 -1.203 1.00 0.00 N ATOM 671 CA LEU A 44 -9.646 -6.222 -1.188 1.00 0.00 C ATOM 672 C LEU A 44 -8.998 -7.274 -2.082 1.00 0.00 C ATOM 673 O LEU A 44 -8.924 -8.448 -1.720 1.00 0.00 O ATOM 674 CB LEU A 44 -11.081 -5.959 -1.647 1.00 0.00 C ATOM 675 CG LEU A 44 -11.973 -5.200 -0.663 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.121 -4.524 -1.395 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.502 -6.140 0.411 1.00 0.00 C ATOM 0 H LEU A 44 -9.402 -4.163 -1.508 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.662 -6.600 -0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -11.045 -5.398 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.552 -6.917 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.374 -4.428 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.745 -3.989 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.722 -3.820 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.720 -5.277 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.135 -5.583 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.085 -6.934 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.665 -6.577 0.956 1.00 0.00 H new ATOM 689 N GLU A 45 -8.530 -6.845 -3.249 1.00 0.00 N ATOM 690 CA GLU A 45 -7.887 -7.751 -4.194 1.00 0.00 C ATOM 691 C GLU A 45 -6.894 -8.666 -3.481 1.00 0.00 C ATOM 692 O GLU A 45 -6.948 -9.887 -3.622 1.00 0.00 O ATOM 693 CB GLU A 45 -7.171 -6.958 -5.290 1.00 0.00 C ATOM 694 CG GLU A 45 -6.712 -7.813 -6.458 1.00 0.00 C ATOM 695 CD GLU A 45 -7.869 -8.361 -7.270 1.00 0.00 C ATOM 696 OE1 GLU A 45 -8.624 -9.199 -6.735 1.00 0.00 O ATOM 697 OE2 GLU A 45 -8.019 -7.952 -8.440 1.00 0.00 O ATOM 0 H GLU A 45 -8.584 -5.876 -3.563 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.661 -8.368 -4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.840 -6.181 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.306 -6.455 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.067 -7.220 -7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.112 -8.642 -6.083 1.00 0.00 H new ATOM 704 N HIS A 46 -5.989 -8.065 -2.716 1.00 0.00 N ATOM 705 CA HIS A 46 -4.984 -8.823 -1.981 1.00 0.00 C ATOM 706 C HIS A 46 -5.413 -9.032 -0.532 1.00 0.00 C ATOM 707 O HIS A 46 -4.713 -9.679 0.246 1.00 0.00 O ATOM 708 CB HIS A 46 -3.636 -8.104 -2.027 1.00 0.00 C ATOM 709 CG HIS A 46 -3.115 -7.897 -3.416 1.00 0.00 C ATOM 710 ND1 HIS A 46 -3.120 -6.799 -4.209 1.00 0.00 N flip ATOM 711 CD2 HIS A 46 -2.502 -8.892 -4.146 1.00 0.00 C flip ATOM 712 CE1 HIS A 46 -2.514 -7.148 -5.390 1.00 0.00 C flip ATOM 713 NE2 HIS A 46 -2.150 -8.417 -5.327 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.931 -7.055 -2.589 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.883 -9.799 -2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.733 -7.136 -1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.907 -8.679 -1.456 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.335 -9.903 -3.805 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.360 -6.492 -6.234 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.678 -8.940 -6.064 1.00 0.00 H new ATOM 721 N ASP A 47 -6.568 -8.480 -0.176 1.00 0.00 N ATOM 722 CA ASP A 47 -7.091 -8.606 1.179 1.00 0.00 C ATOM 723 C ASP A 47 -6.145 -7.962 2.188 1.00 0.00 C ATOM 724 O ASP A 47 -5.833 -8.550 3.224 1.00 0.00 O ATOM 725 CB ASP A 47 -7.307 -10.079 1.531 1.00 0.00 C ATOM 726 CG ASP A 47 -8.255 -10.262 2.699 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.411 -9.798 2.603 1.00 0.00 O ATOM 728 OD2 ASP A 47 -7.842 -10.868 3.710 1.00 0.00 O ATOM 0 H ASP A 47 -7.160 -7.941 -0.808 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.048 -8.087 1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.702 -10.603 0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.347 -10.537 1.771 1.00 0.00 H new ATOM 733 N VAL A 48 -5.691 -6.753 1.878 1.00 0.00 N ATOM 734 CA VAL A 48 -4.780 -6.029 2.758 1.00 0.00 C ATOM 735 C VAL A 48 -5.288 -4.618 3.035 1.00 0.00 C ATOM 736 O VAL A 48 -6.173 -4.119 2.340 1.00 0.00 O ATOM 737 CB VAL A 48 -3.366 -5.944 2.154 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.688 -7.305 2.188 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.426 -5.404 0.733 1.00 0.00 C ATOM 0 H VAL A 48 -5.939 -6.253 1.024 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.735 -6.586 3.694 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.773 -5.255 2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.690 -7.225 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.611 -7.648 3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.276 -8.019 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.418 -5.350 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.035 -6.066 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.868 -4.408 0.741 1.00 0.00 H new ATOM 749 N ASN A 49 -4.722 -3.981 4.055 1.00 0.00 N ATOM 750 CA ASN A 49 -5.118 -2.627 4.424 1.00 0.00 C ATOM 751 C ASN A 49 -4.045 -1.619 4.026 1.00 0.00 C ATOM 752 O ASN A 49 -2.854 -1.851 4.235 1.00 0.00 O ATOM 753 CB ASN A 49 -5.380 -2.543 5.929 1.00 0.00 C ATOM 754 CG ASN A 49 -5.784 -1.149 6.369 1.00 0.00 C ATOM 755 OD1 ASN A 49 -4.807 -0.256 6.475 1.00 0.00 O flip ATOM 756 ND2 ASN A 49 -6.961 -0.879 6.610 1.00 0.00 N flip ATOM 0 H ASN A 49 -3.988 -4.380 4.640 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.036 -2.384 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.167 -3.248 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.483 -2.846 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.679 -1.597 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.218 0.063 6.905 1.00 0.00 H new ATOM 763 N ILE A 50 -4.476 -0.501 3.451 1.00 0.00 N ATOM 764 CA ILE A 50 -3.552 0.543 3.026 1.00 0.00 C ATOM 765 C ILE A 50 -3.970 1.903 3.573 1.00 0.00 C ATOM 766 O ILE A 50 -5.020 2.433 3.208 1.00 0.00 O ATOM 767 CB ILE A 50 -3.464 0.625 1.491 1.00 0.00 C ATOM 768 CG1 ILE A 50 -2.959 -0.701 0.916 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.554 1.770 1.072 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.160 -0.827 -0.578 1.00 0.00 C ATOM 0 H ILE A 50 -5.458 -0.295 3.269 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.572 0.279 3.425 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.461 0.816 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.898 -0.805 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.473 -1.523 1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.502 1.814 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.952 2.710 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.555 1.607 1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.779 -1.791 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.223 -0.755 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.623 -0.026 -1.086 1.00 0.00 H new ATOM 782 N GLN A 51 -3.141 2.465 4.448 1.00 0.00 N ATOM 783 CA GLN A 51 -3.426 3.765 5.044 1.00 0.00 C ATOM 784 C GLN A 51 -2.366 4.788 4.648 1.00 0.00 C ATOM 785 O GLN A 51 -1.172 4.494 4.653 1.00 0.00 O ATOM 786 CB GLN A 51 -3.493 3.647 6.568 1.00 0.00 C ATOM 787 CG GLN A 51 -4.433 4.652 7.214 1.00 0.00 C ATOM 788 CD GLN A 51 -5.847 4.560 6.675 1.00 0.00 C ATOM 789 OE1 GLN A 51 -6.650 3.751 7.141 1.00 0.00 O ATOM 790 NE2 GLN A 51 -6.160 5.391 5.688 1.00 0.00 N ATOM 0 H GLN A 51 -2.267 2.040 4.759 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.392 4.105 4.670 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.814 2.639 6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.492 3.781 6.979 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.448 4.489 8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.050 5.659 7.049 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.463 6.045 5.332 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.097 5.375 5.286 1.00 0.00 H new ATOM 799 N PHE A 52 -2.814 5.992 4.304 1.00 0.00 N ATOM 800 CA PHE A 52 -1.904 7.059 3.904 1.00 0.00 C ATOM 801 C PHE A 52 -1.733 8.077 5.028 1.00 0.00 C ATOM 802 O PHE A 52 -2.636 8.311 5.831 1.00 0.00 O ATOM 803 CB PHE A 52 -2.424 7.754 2.644 1.00 0.00 C ATOM 804 CG PHE A 52 -2.603 6.826 1.477 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.782 6.118 1.314 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.592 6.661 0.544 1.00 0.00 C ATOM 807 CE1 PHE A 52 -3.950 5.262 0.242 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.754 5.808 -0.530 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.935 5.107 -0.682 1.00 0.00 C ATOM 0 H PHE A 52 -3.800 6.252 4.294 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.932 6.614 3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.378 8.230 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.731 8.547 2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.579 6.236 2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.666 7.206 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.874 4.715 0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.958 5.689 -1.250 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.064 4.440 -1.521 1.00 0.00 H new ATOM 819 N PRO A 53 -0.546 8.699 5.087 1.00 0.00 N ATOM 820 CA PRO A 53 -0.227 9.703 6.107 1.00 0.00 C ATOM 821 C PRO A 53 -1.006 10.998 5.907 1.00 0.00 C ATOM 822 O PRO A 53 -1.508 11.271 4.817 1.00 0.00 O ATOM 823 CB PRO A 53 1.272 9.943 5.910 1.00 0.00 C ATOM 824 CG PRO A 53 1.531 9.586 4.488 1.00 0.00 C ATOM 825 CD PRO A 53 0.577 8.470 4.161 1.00 0.00 C ATOM 0 HA PRO A 53 -0.490 9.366 7.110 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.536 10.981 6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.864 9.326 6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.368 10.443 3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.565 9.270 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.254 8.509 3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.033 7.492 4.317 1.00 0.00 H new ATOM 833 N ASP A 54 -1.102 11.794 6.966 1.00 0.00 N ATOM 834 CA ASP A 54 -1.819 13.062 6.908 1.00 0.00 C ATOM 835 C ASP A 54 -0.853 14.238 7.028 1.00 0.00 C ATOM 836 O ASP A 54 0.013 14.258 7.902 1.00 0.00 O ATOM 837 CB ASP A 54 -2.867 13.133 8.019 1.00 0.00 C ATOM 838 CG ASP A 54 -4.062 13.983 7.637 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.824 13.566 6.740 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.234 15.066 8.233 1.00 0.00 O ATOM 0 H ASP A 54 -0.692 11.583 7.876 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.321 13.123 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.205 12.125 8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.409 13.540 8.920 1.00 0.00 H new ATOM 845 N LYS A 55 -1.009 15.216 6.142 1.00 0.00 N ATOM 846 CA LYS A 55 -0.152 16.396 6.146 1.00 0.00 C ATOM 847 C LYS A 55 -0.441 17.273 7.361 1.00 0.00 C ATOM 848 O LYS A 55 0.430 18.007 7.829 1.00 0.00 O ATOM 849 CB LYS A 55 -0.353 17.203 4.862 1.00 0.00 C ATOM 850 CG LYS A 55 -1.742 17.802 4.731 1.00 0.00 C ATOM 851 CD LYS A 55 -1.814 19.186 5.355 1.00 0.00 C ATOM 852 CE LYS A 55 -3.192 19.804 5.182 1.00 0.00 C ATOM 853 NZ LYS A 55 -3.445 20.884 6.176 1.00 0.00 N ATOM 0 H LYS A 55 -1.721 15.215 5.412 1.00 0.00 H new ATOM 0 HA LYS A 55 0.884 16.062 6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.384 18.005 4.828 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.162 16.558 4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.015 17.862 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.469 17.147 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.574 19.121 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.064 19.832 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.284 20.209 4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.953 19.030 5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.395 21.280 6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.382 20.493 7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.735 21.635 6.061 1.00 0.00 H new ATOM 867 N ASP A 56 -1.667 17.191 7.866 1.00 0.00 N ATOM 868 CA ASP A 56 -2.068 17.976 9.028 1.00 0.00 C ATOM 869 C ASP A 56 -1.177 17.668 10.227 1.00 0.00 C ATOM 870 O ASP A 56 -0.794 18.568 10.974 1.00 0.00 O ATOM 871 CB ASP A 56 -3.531 17.695 9.378 1.00 0.00 C ATOM 872 CG ASP A 56 -4.066 18.645 10.431 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.581 19.793 10.496 1.00 0.00 O ATOM 874 OD2 ASP A 56 -4.973 18.240 11.189 1.00 0.00 O ATOM 0 H ASP A 56 -2.400 16.590 7.490 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.957 19.031 8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.139 17.776 8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.626 16.670 9.736 1.00 0.00 H new ATOM 879 N ASP A 57 -0.852 16.392 10.403 1.00 0.00 N ATOM 880 CA ASP A 57 -0.006 15.965 11.512 1.00 0.00 C ATOM 881 C ASP A 57 1.406 16.522 11.364 1.00 0.00 C ATOM 882 O ASP A 57 1.817 17.406 12.113 1.00 0.00 O ATOM 883 CB ASP A 57 0.041 14.438 11.587 1.00 0.00 C ATOM 884 CG ASP A 57 0.338 13.937 12.987 1.00 0.00 C ATOM 885 OD1 ASP A 57 -0.619 13.765 13.771 1.00 0.00 O ATOM 886 OD2 ASP A 57 1.527 13.717 13.298 1.00 0.00 O ATOM 0 H ASP A 57 -1.161 15.636 9.793 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.436 16.354 12.435 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.913 14.031 11.253 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.803 14.067 10.902 1.00 0.00 H new ATOM 891 N GLY A 58 2.144 15.998 10.390 1.00 0.00 N ATOM 892 CA GLY A 58 3.503 16.455 10.161 1.00 0.00 C ATOM 893 C GLY A 58 4.538 15.500 10.723 1.00 0.00 C ATOM 894 O GLY A 58 5.270 14.857 9.971 1.00 0.00 O ATOM 0 H GLY A 58 1.825 15.266 9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.667 16.575 9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.634 17.437 10.616 1.00 0.00 H new ATOM 898 N ASN A 59 4.599 15.408 12.047 1.00 0.00 N ATOM 899 CA ASN A 59 5.554 14.526 12.709 1.00 0.00 C ATOM 900 C ASN A 59 5.712 13.219 11.936 1.00 0.00 C ATOM 901 O ASN A 59 6.824 12.722 11.761 1.00 0.00 O ATOM 902 CB ASN A 59 5.102 14.234 14.140 1.00 0.00 C ATOM 903 CG ASN A 59 4.995 15.492 14.981 1.00 0.00 C ATOM 904 OD1 ASN A 59 3.937 15.794 15.534 1.00 0.00 O ATOM 905 ND2 ASN A 59 6.092 16.235 15.078 1.00 0.00 N ATOM 0 H ASN A 59 3.999 15.933 12.683 1.00 0.00 H new ATOM 0 HA ASN A 59 6.520 15.031 12.736 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.135 13.732 14.117 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.807 13.547 14.608 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.079 17.094 15.628 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.947 15.946 14.603 1.00 0.00 H new ATOM 912 N GLN A 60 4.592 12.669 11.480 1.00 0.00 N ATOM 913 CA GLN A 60 4.606 11.420 10.727 1.00 0.00 C ATOM 914 C GLN A 60 5.015 11.662 9.278 1.00 0.00 C ATOM 915 O GLN A 60 4.830 12.749 8.728 1.00 0.00 O ATOM 916 CB GLN A 60 3.230 10.754 10.777 1.00 0.00 C ATOM 917 CG GLN A 60 2.098 11.662 10.323 1.00 0.00 C ATOM 918 CD GLN A 60 0.816 10.902 10.044 1.00 0.00 C ATOM 919 OE1 GLN A 60 -0.309 11.606 10.076 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 0.837 9.694 9.804 1.00 0.00 N flip ATOM 0 H GLN A 60 3.664 13.068 11.618 1.00 0.00 H new ATOM 0 HA GLN A 60 5.339 10.757 11.186 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.244 9.863 10.150 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.033 10.423 11.797 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.911 12.414 11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.403 12.195 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.725 9.192 9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.034 9.195 9.620 1.00 0.00 H new ATOM 929 N PRO A 61 5.585 10.628 8.643 1.00 0.00 N ATOM 930 CA PRO A 61 6.032 10.704 7.249 1.00 0.00 C ATOM 931 C PRO A 61 4.866 10.789 6.270 1.00 0.00 C ATOM 932 O PRO A 61 3.903 10.029 6.371 1.00 0.00 O ATOM 933 CB PRO A 61 6.801 9.396 7.051 1.00 0.00 C ATOM 934 CG PRO A 61 6.220 8.459 8.053 1.00 0.00 C ATOM 935 CD PRO A 61 5.837 9.304 9.236 1.00 0.00 C ATOM 0 HA PRO A 61 6.627 11.597 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.680 9.016 6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.870 9.537 7.214 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.352 7.941 7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.943 7.694 8.337 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.952 8.914 9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.635 9.341 9.978 1.00 0.00 H new ATOM 943 N GLN A 62 4.960 11.717 5.323 1.00 0.00 N ATOM 944 CA GLN A 62 3.912 11.900 4.327 1.00 0.00 C ATOM 945 C GLN A 62 4.219 11.105 3.062 1.00 0.00 C ATOM 946 O GLN A 62 3.351 10.921 2.207 1.00 0.00 O ATOM 947 CB GLN A 62 3.756 13.383 3.986 1.00 0.00 C ATOM 948 CG GLN A 62 3.334 14.238 5.170 1.00 0.00 C ATOM 949 CD GLN A 62 2.241 13.590 5.998 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.199 13.198 5.472 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.475 13.474 7.300 1.00 0.00 N ATOM 0 H GLN A 62 5.751 12.353 5.225 1.00 0.00 H new ATOM 0 HA GLN A 62 2.977 11.531 4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.702 13.759 3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.018 13.489 3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.200 14.427 5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.986 15.206 4.809 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.353 13.813 7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.777 13.046 7.908 1.00 0.00 H new ATOM 960 N ASP A 63 5.457 10.638 2.948 1.00 0.00 N ATOM 961 CA ASP A 63 5.878 9.862 1.788 1.00 0.00 C ATOM 962 C ASP A 63 5.816 8.367 2.082 1.00 0.00 C ATOM 963 O ASP A 63 5.939 7.541 1.177 1.00 0.00 O ATOM 964 CB ASP A 63 7.297 10.254 1.373 1.00 0.00 C ATOM 965 CG ASP A 63 8.355 9.446 2.096 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.404 8.214 1.892 1.00 0.00 O ATOM 967 OD2 ASP A 63 9.136 10.043 2.867 1.00 0.00 O ATOM 0 H ASP A 63 6.187 10.783 3.645 1.00 0.00 H new ATOM 0 HA ASP A 63 5.194 10.081 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.409 10.115 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.452 11.314 1.575 1.00 0.00 H new ATOM 972 N GLN A 64 5.624 8.026 3.352 1.00 0.00 N ATOM 973 CA GLN A 64 5.548 6.630 3.765 1.00 0.00 C ATOM 974 C GLN A 64 4.102 6.146 3.783 1.00 0.00 C ATOM 975 O GLN A 64 3.223 6.806 4.336 1.00 0.00 O ATOM 976 CB GLN A 64 6.175 6.450 5.149 1.00 0.00 C ATOM 977 CG GLN A 64 7.690 6.583 5.151 1.00 0.00 C ATOM 978 CD GLN A 64 8.391 5.273 4.854 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.836 4.573 5.764 1.00 0.00 O ATOM 980 NE2 GLN A 64 8.495 4.935 3.574 1.00 0.00 N ATOM 0 H GLN A 64 5.518 8.697 4.113 1.00 0.00 H new ATOM 0 HA GLN A 64 6.104 6.033 3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.752 7.189 5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.904 5.468 5.537 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.987 7.326 4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.017 6.954 6.122 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.111 5.546 2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.958 4.065 3.312 1.00 0.00 H new ATOM 989 N ILE A 65 3.863 4.989 3.173 1.00 0.00 N ATOM 990 CA ILE A 65 2.523 4.417 3.119 1.00 0.00 C ATOM 991 C ILE A 65 2.433 3.149 3.962 1.00 0.00 C ATOM 992 O ILE A 65 3.028 2.123 3.626 1.00 0.00 O ATOM 993 CB ILE A 65 2.108 4.091 1.673 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.374 5.289 0.760 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.640 3.694 1.620 1.00 0.00 C ATOM 996 CD1 ILE A 65 1.972 5.054 -0.679 1.00 0.00 C ATOM 0 H ILE A 65 4.579 4.430 2.710 1.00 0.00 H new ATOM 0 HA ILE A 65 1.842 5.167 3.522 1.00 0.00 H new ATOM 0 HB ILE A 65 2.705 3.250 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.833 6.154 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.435 5.535 0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.362 3.467 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.478 2.814 2.243 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.027 4.517 1.988 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.189 5.945 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.532 4.209 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.905 4.838 -0.728 1.00 0.00 H new ATOM 1008 N THR A 66 1.683 3.223 5.056 1.00 0.00 N ATOM 1009 CA THR A 66 1.515 2.082 5.946 1.00 0.00 C ATOM 1010 C THR A 66 0.609 1.026 5.320 1.00 0.00 C ATOM 1011 O THR A 66 -0.382 1.354 4.668 1.00 0.00 O ATOM 1012 CB THR A 66 0.924 2.510 7.303 1.00 0.00 C ATOM 1013 OG1 THR A 66 0.085 3.658 7.132 1.00 0.00 O ATOM 1014 CG2 THR A 66 2.030 2.826 8.298 1.00 0.00 C ATOM 0 H THR A 66 1.182 4.062 5.347 1.00 0.00 H new ATOM 0 HA THR A 66 2.506 1.658 6.108 1.00 0.00 H new ATOM 0 HB THR A 66 0.331 1.683 7.694 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.288 3.923 7.999 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.589 3.126 9.249 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.648 1.941 8.448 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.646 3.638 7.912 1.00 0.00 H new ATOM 1022 N ILE A 67 0.956 -0.240 5.525 1.00 0.00 N ATOM 1023 CA ILE A 67 0.172 -1.342 4.982 1.00 0.00 C ATOM 1024 C ILE A 67 0.260 -2.573 5.879 1.00 0.00 C ATOM 1025 O ILE A 67 1.347 -3.095 6.131 1.00 0.00 O ATOM 1026 CB ILE A 67 0.639 -1.721 3.565 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.549 -0.509 2.634 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.192 -2.874 3.022 1.00 0.00 C ATOM 1029 CD1 ILE A 67 0.932 -0.815 1.203 1.00 0.00 C ATOM 0 H ILE A 67 1.774 -0.528 6.062 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.862 -1.000 4.936 1.00 0.00 H new ATOM 0 HB ILE A 67 1.679 -2.042 3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.469 -0.121 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.198 0.280 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.151 -3.129 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.083 -3.740 3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.241 -2.580 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.845 0.090 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.961 -1.174 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.267 -1.581 0.804 1.00 0.00 H new ATOM 1041 N THR A 68 -0.891 -3.035 6.357 1.00 0.00 N ATOM 1042 CA THR A 68 -0.946 -4.204 7.224 1.00 0.00 C ATOM 1043 C THR A 68 -1.482 -5.420 6.477 1.00 0.00 C ATOM 1044 O THR A 68 -2.242 -5.285 5.519 1.00 0.00 O ATOM 1045 CB THR A 68 -1.827 -3.945 8.461 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.765 -2.563 8.827 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.382 -4.807 9.632 1.00 0.00 C ATOM 0 H THR A 68 -1.799 -2.616 6.157 1.00 0.00 H new ATOM 0 HA THR A 68 0.075 -4.404 7.549 1.00 0.00 H new ATOM 0 HB THR A 68 -2.855 -4.206 8.209 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.329 -2.407 9.613 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.019 -4.607 10.494 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.461 -5.859 9.360 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.347 -4.573 9.883 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.082 -6.606 6.922 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.532 -7.828 6.282 1.00 0.00 C ATOM 1057 C GLY A 69 -0.420 -8.848 6.129 1.00 0.00 C ATOM 1058 O GLY A 69 0.676 -8.664 6.659 1.00 0.00 O ATOM 0 H GLY A 69 -0.454 -6.743 7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.342 -8.264 6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.940 -7.591 5.300 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.702 -9.924 5.403 1.00 0.00 N ATOM 1063 CA TYR A 70 0.282 -10.978 5.185 1.00 0.00 C ATOM 1064 C TYR A 70 1.505 -10.437 4.449 1.00 0.00 C ATOM 1065 O TYR A 70 1.383 -9.827 3.388 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.339 -12.127 4.390 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.340 -12.939 5.180 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -0.997 -13.502 6.403 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.629 -13.143 4.704 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -1.908 -14.245 7.128 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.548 -13.883 5.423 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.182 -14.433 6.635 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.093 -15.172 7.354 1.00 0.00 O ATOM 0 H TYR A 70 -1.604 -10.089 4.956 1.00 0.00 H new ATOM 0 HA TYR A 70 0.601 -11.350 6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.830 -11.722 3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.455 -12.786 4.040 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.001 -13.356 6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.918 -12.716 3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.624 -14.677 8.076 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.547 -14.030 5.039 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.943 -15.207 6.867 1.00 0.00 H new ATOM 1083 N GLU A 71 2.682 -10.669 5.023 1.00 0.00 N ATOM 1084 CA GLU A 71 3.927 -10.205 4.422 1.00 0.00 C ATOM 1085 C GLU A 71 3.925 -10.442 2.915 1.00 0.00 C ATOM 1086 O GLU A 71 4.473 -9.649 2.149 1.00 0.00 O ATOM 1087 CB GLU A 71 5.122 -10.917 5.060 1.00 0.00 C ATOM 1088 CG GLU A 71 6.445 -10.617 4.375 1.00 0.00 C ATOM 1089 CD GLU A 71 7.626 -11.253 5.083 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.472 -12.382 5.594 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.703 -10.622 5.126 1.00 0.00 O ATOM 0 H GLU A 71 2.799 -11.174 5.901 1.00 0.00 H new ATOM 0 HA GLU A 71 4.012 -9.134 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.191 -10.626 6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.947 -11.993 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.407 -10.976 3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.591 -9.538 4.331 1.00 0.00 H new ATOM 1098 N LYS A 72 3.304 -11.540 2.495 1.00 0.00 N ATOM 1099 CA LYS A 72 3.229 -11.883 1.080 1.00 0.00 C ATOM 1100 C LYS A 72 2.234 -10.983 0.354 1.00 0.00 C ATOM 1101 O LYS A 72 2.593 -10.283 -0.593 1.00 0.00 O ATOM 1102 CB LYS A 72 2.825 -13.349 0.910 1.00 0.00 C ATOM 1103 CG LYS A 72 3.824 -14.328 1.503 1.00 0.00 C ATOM 1104 CD LYS A 72 5.030 -14.512 0.598 1.00 0.00 C ATOM 1105 CE LYS A 72 4.738 -15.497 -0.525 1.00 0.00 C ATOM 1106 NZ LYS A 72 5.682 -15.335 -1.664 1.00 0.00 N ATOM 0 H LYS A 72 2.845 -12.207 3.115 1.00 0.00 H new ATOM 0 HA LYS A 72 4.216 -11.731 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.853 -13.506 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.705 -13.563 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.152 -13.969 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.339 -15.291 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.319 -13.550 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.876 -14.868 1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.803 -16.515 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.716 -15.354 -0.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.450 -16.024 -2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.602 -14.371 -2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.655 -15.497 -1.334 1.00 0.00 H new ATOM 1120 N ASN A 73 0.984 -11.007 0.805 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.063 -10.192 0.198 1.00 0.00 C ATOM 1122 C ASN A 73 0.317 -8.714 0.220 1.00 0.00 C ATOM 1123 O ASN A 73 0.375 -8.060 -0.821 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.389 -10.400 0.931 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.015 -11.747 0.622 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.574 -12.455 -0.284 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.047 -12.106 1.376 1.00 0.00 N ATOM 0 H ASN A 73 0.671 -11.581 1.588 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.177 -10.504 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.224 -10.317 2.005 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.083 -9.607 0.653 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.509 -13.001 1.216 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.378 -11.487 2.116 1.00 0.00 H new ATOM 1134 N THR A 74 0.576 -8.193 1.416 1.00 0.00 N ATOM 1135 CA THR A 74 0.949 -6.794 1.576 1.00 0.00 C ATOM 1136 C THR A 74 1.888 -6.345 0.463 1.00 0.00 C ATOM 1137 O THR A 74 1.647 -5.332 -0.195 1.00 0.00 O ATOM 1138 CB THR A 74 1.628 -6.544 2.936 1.00 0.00 C ATOM 1139 OG1 THR A 74 2.616 -7.552 3.182 1.00 0.00 O ATOM 1140 CG2 THR A 74 0.603 -6.545 4.060 1.00 0.00 C ATOM 0 H THR A 74 0.534 -8.720 2.288 1.00 0.00 H new ATOM 0 HA THR A 74 0.027 -6.214 1.527 1.00 0.00 H new ATOM 0 HB THR A 74 2.108 -5.566 2.905 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.990 -7.431 4.080 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.105 -6.367 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.131 -5.758 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.099 -7.511 4.092 1.00 0.00 H new ATOM 1148 N GLU A 75 2.959 -7.104 0.255 1.00 0.00 N ATOM 1149 CA GLU A 75 3.935 -6.783 -0.780 1.00 0.00 C ATOM 1150 C GLU A 75 3.274 -6.738 -2.154 1.00 0.00 C ATOM 1151 O GLU A 75 3.559 -5.855 -2.962 1.00 0.00 O ATOM 1152 CB GLU A 75 5.068 -7.811 -0.780 1.00 0.00 C ATOM 1153 CG GLU A 75 5.935 -7.762 0.467 1.00 0.00 C ATOM 1154 CD GLU A 75 6.952 -6.638 0.427 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.664 -6.519 -0.591 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.034 -5.879 1.415 1.00 0.00 O ATOM 0 H GLU A 75 3.173 -7.946 0.790 1.00 0.00 H new ATOM 0 HA GLU A 75 4.348 -5.798 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.641 -8.809 -0.876 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.696 -7.647 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.298 -7.640 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.455 -8.713 0.581 1.00 0.00 H new ATOM 1163 N ALA A 76 2.391 -7.697 -2.412 1.00 0.00 N ATOM 1164 CA ALA A 76 1.689 -7.766 -3.688 1.00 0.00 C ATOM 1165 C ALA A 76 0.870 -6.502 -3.932 1.00 0.00 C ATOM 1166 O ALA A 76 0.701 -6.072 -5.072 1.00 0.00 O ATOM 1167 CB ALA A 76 0.793 -8.995 -3.731 1.00 0.00 C ATOM 0 H ALA A 76 2.145 -8.437 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 76 2.433 -7.845 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.275 -9.034 -4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.400 -9.892 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.061 -8.940 -2.925 1.00 0.00 H new ATOM 1173 N ALA A 77 0.362 -5.915 -2.854 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.439 -4.700 -2.952 1.00 0.00 C ATOM 1175 C ALA A 77 0.449 -3.463 -3.041 1.00 0.00 C ATOM 1176 O ALA A 77 0.224 -2.586 -3.875 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.381 -4.592 -1.763 1.00 0.00 C ATOM 0 H ALA A 77 0.490 -6.260 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.031 -4.757 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.973 -3.681 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.046 -5.456 -1.746 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.801 -4.562 -0.841 1.00 0.00 H new ATOM 1183 N ARG A 78 1.456 -3.400 -2.176 1.00 0.00 N ATOM 1184 CA ARG A 78 2.376 -2.269 -2.156 1.00 0.00 C ATOM 1185 C ARG A 78 3.008 -2.059 -3.529 1.00 0.00 C ATOM 1186 O ARG A 78 3.462 -0.960 -3.852 1.00 0.00 O ATOM 1187 CB ARG A 78 3.468 -2.492 -1.109 1.00 0.00 C ATOM 1188 CG ARG A 78 4.690 -3.219 -1.648 1.00 0.00 C ATOM 1189 CD ARG A 78 5.725 -2.245 -2.187 1.00 0.00 C ATOM 1190 NE ARG A 78 6.546 -2.845 -3.235 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.769 -2.425 -3.542 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.308 -1.407 -2.884 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.454 -3.021 -4.509 1.00 0.00 N ATOM 0 H ARG A 78 1.655 -4.119 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 78 1.809 -1.375 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.778 -1.527 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.052 -3.064 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.134 -3.822 -0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.387 -3.905 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.222 -1.362 -2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.366 -1.909 -1.372 1.00 0.00 H new ATOM 0 HE ARG A 78 6.160 -3.629 -3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.784 -0.945 -2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.247 -1.086 -3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.042 -3.803 -5.018 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.392 -2.697 -4.743 1.00 0.00 H new ATOM 1207 N ASP A 79 3.034 -3.116 -4.331 1.00 0.00 N ATOM 1208 CA ASP A 79 3.608 -3.047 -5.670 1.00 0.00 C ATOM 1209 C ASP A 79 2.763 -2.161 -6.580 1.00 0.00 C ATOM 1210 O ASP A 79 3.282 -1.519 -7.492 1.00 0.00 O ATOM 1211 CB ASP A 79 3.728 -4.449 -6.270 1.00 0.00 C ATOM 1212 CG ASP A 79 4.561 -4.467 -7.537 1.00 0.00 C ATOM 1213 OD1 ASP A 79 4.010 -4.158 -8.614 1.00 0.00 O ATOM 1214 OD2 ASP A 79 5.764 -4.790 -7.450 1.00 0.00 O ATOM 0 H ASP A 79 2.664 -4.032 -4.078 1.00 0.00 H new ATOM 0 HA ASP A 79 4.603 -2.609 -5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.175 -5.119 -5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.732 -4.834 -6.488 1.00 0.00 H new ATOM 1219 N ALA A 80 1.460 -2.134 -6.326 1.00 0.00 N ATOM 1220 CA ALA A 80 0.543 -1.327 -7.121 1.00 0.00 C ATOM 1221 C ALA A 80 0.856 0.159 -6.981 1.00 0.00 C ATOM 1222 O ALA A 80 0.932 0.883 -7.973 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.896 -1.606 -6.713 1.00 0.00 C ATOM 0 H ALA A 80 1.015 -2.662 -5.575 1.00 0.00 H new ATOM 0 HA ALA A 80 0.672 -1.601 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.570 -0.996 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.121 -2.661 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.029 -1.361 -5.659 1.00 0.00 H new ATOM 1229 N ILE A 81 1.036 0.606 -5.742 1.00 0.00 N ATOM 1230 CA ILE A 81 1.342 2.006 -5.473 1.00 0.00 C ATOM 1231 C ILE A 81 2.476 2.502 -6.364 1.00 0.00 C ATOM 1232 O ILE A 81 2.478 3.653 -6.800 1.00 0.00 O ATOM 1233 CB ILE A 81 1.729 2.224 -3.998 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.597 1.760 -3.078 1.00 0.00 C ATOM 1235 CG2 ILE A 81 2.056 3.689 -3.748 1.00 0.00 C ATOM 1236 CD1 ILE A 81 1.031 1.563 -1.642 1.00 0.00 C ATOM 0 H ILE A 81 0.975 0.020 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 81 0.438 2.574 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 81 2.617 1.631 -3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.209 2.493 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.191 0.823 -3.459 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.328 3.828 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.890 3.989 -4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.185 4.301 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.179 1.234 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.816 0.808 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.410 2.504 -1.244 1.00 0.00 H new ATOM 1248 N LEU A 82 3.437 1.625 -6.631 1.00 0.00 N ATOM 1249 CA LEU A 82 4.577 1.973 -7.472 1.00 0.00 C ATOM 1250 C LEU A 82 4.189 1.964 -8.947 1.00 0.00 C ATOM 1251 O LEU A 82 4.360 2.960 -9.651 1.00 0.00 O ATOM 1252 CB LEU A 82 5.731 0.998 -7.230 1.00 0.00 C ATOM 1253 CG LEU A 82 6.102 0.747 -5.768 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.119 -0.379 -5.662 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.642 2.017 -5.129 1.00 0.00 C ATOM 0 H LEU A 82 3.450 0.668 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 82 4.899 2.980 -7.207 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.475 0.043 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.613 1.374 -7.748 1.00 0.00 H new ATOM 0 HG LEU A 82 5.202 0.449 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.371 -0.544 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.696 -1.292 -6.081 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.019 -0.109 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.901 1.819 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.531 2.346 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.882 2.797 -5.172 1.00 0.00 H new ATOM 1267 N ARG A 83 3.665 0.833 -9.408 1.00 0.00 N ATOM 1268 CA ARG A 83 3.251 0.694 -10.800 1.00 0.00 C ATOM 1269 C ARG A 83 2.577 1.970 -11.296 1.00 0.00 C ATOM 1270 O ARG A 83 2.619 2.284 -12.485 1.00 0.00 O ATOM 1271 CB ARG A 83 2.298 -0.492 -10.955 1.00 0.00 C ATOM 1272 CG ARG A 83 2.372 -1.158 -12.318 1.00 0.00 C ATOM 1273 CD ARG A 83 1.644 -2.493 -12.328 1.00 0.00 C ATOM 1274 NE ARG A 83 1.310 -2.925 -13.681 1.00 0.00 N ATOM 1275 CZ ARG A 83 2.196 -3.429 -14.532 1.00 0.00 C ATOM 1276 NH1 ARG A 83 3.464 -3.564 -14.171 1.00 0.00 N ATOM 1277 NH2 ARG A 83 1.815 -3.800 -15.748 1.00 0.00 N ATOM 0 H ARG A 83 3.517 -0.000 -8.839 1.00 0.00 H new ATOM 0 HA ARG A 83 4.142 0.516 -11.402 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.523 -1.231 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.277 -0.152 -10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.936 -0.500 -13.070 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.416 -1.310 -12.593 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.267 -3.249 -11.850 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.731 -2.412 -11.738 1.00 0.00 H new ATOM 0 HE ARG A 83 0.342 -2.835 -13.990 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.761 -3.280 -13.237 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.142 -3.951 -14.827 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.840 -3.698 -16.030 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.497 -4.187 -16.400 1.00 0.00 H new ATOM 1291 N ILE A 84 1.955 2.701 -10.377 1.00 0.00 N ATOM 1292 CA ILE A 84 1.273 3.942 -10.721 1.00 0.00 C ATOM 1293 C ILE A 84 2.246 5.116 -10.746 1.00 0.00 C ATOM 1294 O ILE A 84 2.470 5.729 -11.790 1.00 0.00 O ATOM 1295 CB ILE A 84 0.136 4.253 -9.729 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.728 3.010 -9.504 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.711 5.408 -10.241 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.439 3.003 -8.169 1.00 0.00 C ATOM 0 H ILE A 84 1.909 2.455 -9.388 1.00 0.00 H new ATOM 0 HA ILE A 84 0.849 3.804 -11.716 1.00 0.00 H new ATOM 0 HB ILE A 84 0.575 4.545 -8.775 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.468 2.943 -10.301 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.100 2.122 -9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.510 5.616 -9.530 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.087 6.294 -10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.144 5.142 -11.205 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.033 2.093 -8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.704 3.039 -7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.094 3.872 -8.101 1.00 0.00 H new ATOM 1310 N VAL A 85 2.824 5.423 -9.589 1.00 0.00 N ATOM 1311 CA VAL A 85 3.776 6.522 -9.478 1.00 0.00 C ATOM 1312 C VAL A 85 4.597 6.668 -10.754 1.00 0.00 C ATOM 1313 O VAL A 85 4.956 7.776 -11.150 1.00 0.00 O ATOM 1314 CB VAL A 85 4.731 6.319 -8.287 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.905 7.282 -8.372 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.985 6.489 -6.972 1.00 0.00 C ATOM 0 H VAL A 85 2.650 4.926 -8.715 1.00 0.00 H new ATOM 0 HA VAL A 85 3.194 7.430 -9.317 1.00 0.00 H new ATOM 0 HB VAL A 85 5.123 5.303 -8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.568 7.123 -7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.453 7.107 -9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.536 8.308 -8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.675 6.342 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.563 7.493 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.182 5.754 -6.911 1.00 0.00 H new ATOM 1326 N GLY A 86 4.892 5.541 -11.394 1.00 0.00 N ATOM 1327 CA GLY A 86 5.668 5.566 -12.620 1.00 0.00 C ATOM 1328 C GLY A 86 4.935 6.246 -13.758 1.00 0.00 C ATOM 1329 O GLY A 86 5.488 7.114 -14.431 1.00 0.00 O ATOM 0 H GLY A 86 4.608 4.611 -11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.610 6.083 -12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.915 4.545 -12.910 1.00 0.00 H new ATOM 1333 N GLU A 87 3.684 5.848 -13.976 1.00 0.00 N ATOM 1334 CA GLU A 87 2.875 6.424 -15.043 1.00 0.00 C ATOM 1335 C GLU A 87 2.515 7.874 -14.731 1.00 0.00 C ATOM 1336 O GLU A 87 2.474 8.722 -15.624 1.00 0.00 O ATOM 1337 CB GLU A 87 1.600 5.603 -15.246 1.00 0.00 C ATOM 1338 CG GLU A 87 0.606 5.730 -14.103 1.00 0.00 C ATOM 1339 CD GLU A 87 -0.781 5.245 -14.480 1.00 0.00 C ATOM 1340 OE1 GLU A 87 -1.199 5.482 -15.632 1.00 0.00 O ATOM 1341 OE2 GLU A 87 -1.447 4.629 -13.623 1.00 0.00 O ATOM 0 H GLU A 87 3.210 5.130 -13.428 1.00 0.00 H new ATOM 0 HA GLU A 87 3.462 6.403 -15.961 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.119 5.918 -16.172 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.869 4.554 -15.368 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.967 5.159 -13.248 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.550 6.772 -13.789 1.00 0.00 H new ATOM 1348 N LEU A 88 2.256 8.151 -13.458 1.00 0.00 N ATOM 1349 CA LEU A 88 1.900 9.498 -13.027 1.00 0.00 C ATOM 1350 C LEU A 88 3.009 10.490 -13.363 1.00 0.00 C ATOM 1351 O LEU A 88 2.761 11.524 -13.984 1.00 0.00 O ATOM 1352 CB LEU A 88 1.623 9.517 -11.522 1.00 0.00 C ATOM 1353 CG LEU A 88 0.709 8.410 -10.994 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.553 8.522 -9.485 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.648 8.468 -11.678 1.00 0.00 C ATOM 0 H LEU A 88 2.286 7.462 -12.707 1.00 0.00 H new ATOM 0 HA LEU A 88 0.998 9.796 -13.561 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.576 9.455 -10.997 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.180 10.479 -11.266 1.00 0.00 H new ATOM 0 HG LEU A 88 1.167 7.447 -11.221 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.100 7.727 -9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.530 8.430 -9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.118 9.489 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.285 7.673 -11.290 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.113 9.434 -11.482 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.520 8.338 -12.753 1.00 0.00 H new ATOM 1367 N GLU A 89 4.230 10.166 -12.951 1.00 0.00 N ATOM 1368 CA GLU A 89 5.377 11.029 -13.211 1.00 0.00 C ATOM 1369 C GLU A 89 5.311 11.611 -14.620 1.00 0.00 C ATOM 1370 O GLU A 89 5.445 12.820 -14.809 1.00 0.00 O ATOM 1371 CB GLU A 89 6.681 10.249 -13.030 1.00 0.00 C ATOM 1372 CG GLU A 89 7.845 11.109 -12.568 1.00 0.00 C ATOM 1373 CD GLU A 89 8.372 12.016 -13.664 1.00 0.00 C ATOM 1374 OE1 GLU A 89 8.631 11.512 -14.777 1.00 0.00 O ATOM 1375 OE2 GLU A 89 8.525 13.228 -13.409 1.00 0.00 O ATOM 0 H GLU A 89 4.451 9.313 -12.436 1.00 0.00 H new ATOM 0 HA GLU A 89 5.351 11.851 -12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.520 9.451 -12.305 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.944 9.773 -13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.529 11.716 -11.720 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.651 10.465 -12.216 1.00 0.00 H new ATOM 1382 N GLN A 90 5.106 10.742 -15.604 1.00 0.00 N ATOM 1383 CA GLN A 90 5.024 11.170 -16.996 1.00 0.00 C ATOM 1384 C GLN A 90 3.693 11.859 -17.276 1.00 0.00 C ATOM 1385 O GLN A 90 3.639 12.858 -17.994 1.00 0.00 O ATOM 1386 CB GLN A 90 5.197 9.972 -17.931 1.00 0.00 C ATOM 1387 CG GLN A 90 6.607 9.400 -17.931 1.00 0.00 C ATOM 1388 CD GLN A 90 6.936 8.661 -19.213 1.00 0.00 C ATOM 1389 OE1 GLN A 90 6.274 8.842 -20.235 1.00 0.00 O ATOM 1390 NE2 GLN A 90 7.963 7.821 -19.165 1.00 0.00 N ATOM 0 H GLN A 90 4.994 9.738 -15.464 1.00 0.00 H new ATOM 0 HA GLN A 90 5.828 11.884 -17.178 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.496 9.190 -17.640 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.935 10.272 -18.946 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.323 10.209 -17.788 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.720 8.721 -17.086 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.484 7.702 -18.296 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.231 7.295 -19.997 1.00 0.00 H new ATOM 1399 N MET A 91 2.620 11.320 -16.705 1.00 0.00 N ATOM 1400 CA MET A 91 1.289 11.885 -16.893 1.00 0.00 C ATOM 1401 C MET A 91 1.347 13.408 -16.948 1.00 0.00 C ATOM 1402 O MET A 91 1.718 14.059 -15.971 1.00 0.00 O ATOM 1403 CB MET A 91 0.359 11.438 -15.764 1.00 0.00 C ATOM 1404 CG MET A 91 -1.097 11.322 -16.186 1.00 0.00 C ATOM 1405 SD MET A 91 -2.241 11.663 -14.835 1.00 0.00 S ATOM 1406 CE MET A 91 -3.728 12.078 -15.746 1.00 0.00 C ATOM 0 H MET A 91 2.647 10.493 -16.109 1.00 0.00 H new ATOM 0 HA MET A 91 0.897 11.521 -17.843 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.697 10.473 -15.386 1.00 0.00 H new ATOM 0 HB3 MET A 91 0.435 12.147 -14.940 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.290 12.015 -17.004 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.281 10.318 -16.569 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.529 12.314 -15.046 1.00 0.00 H new ATOM 0 HE2 MET A 91 -3.536 12.942 -16.382 1.00 0.00 H new ATOM 0 HE3 MET A 91 -4.024 11.231 -16.364 1.00 0.00 H new ATOM 1416 N SER A 92 0.980 13.969 -18.095 1.00 0.00 N ATOM 1417 CA SER A 92 0.996 15.416 -18.278 1.00 0.00 C ATOM 1418 C SER A 92 -0.220 16.060 -17.616 1.00 0.00 C ATOM 1419 O SER A 92 -0.086 16.899 -16.727 1.00 0.00 O ATOM 1420 CB SER A 92 1.023 15.763 -19.768 1.00 0.00 C ATOM 1421 OG SER A 92 2.288 15.471 -20.336 1.00 0.00 O ATOM 0 H SER A 92 0.668 13.444 -18.912 1.00 0.00 H new ATOM 0 HA SER A 92 1.897 15.808 -17.805 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.248 15.201 -20.290 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.796 16.820 -19.903 1.00 0.00 H new ATOM 0 HG SER A 92 2.279 15.700 -21.289 1.00 0.00 H new ATOM 1427 N GLY A 93 -1.408 15.658 -18.058 1.00 0.00 N ATOM 1428 CA GLY A 93 -2.631 16.205 -17.500 1.00 0.00 C ATOM 1429 C GLY A 93 -3.775 16.201 -18.493 1.00 0.00 C ATOM 1430 O GLY A 93 -3.579 16.046 -19.699 1.00 0.00 O ATOM 0 H GLY A 93 -1.545 14.963 -18.792 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.916 15.627 -16.621 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.449 17.226 -17.165 1.00 0.00 H new ATOM 1434 N PRO A 94 -5.005 16.370 -17.985 1.00 0.00 N ATOM 1435 CA PRO A 94 -6.210 16.387 -18.820 1.00 0.00 C ATOM 1436 C PRO A 94 -6.292 17.634 -19.694 1.00 0.00 C ATOM 1437 O PRO A 94 -6.635 18.716 -19.219 1.00 0.00 O ATOM 1438 CB PRO A 94 -7.350 16.375 -17.798 1.00 0.00 C ATOM 1439 CG PRO A 94 -6.760 16.971 -16.567 1.00 0.00 C ATOM 1440 CD PRO A 94 -5.314 16.559 -16.558 1.00 0.00 C ATOM 0 HA PRO A 94 -6.235 15.549 -19.517 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.203 16.955 -18.149 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.707 15.362 -17.615 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.856 18.057 -16.575 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.273 16.612 -15.675 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.681 17.324 -16.108 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.161 15.642 -15.989 1.00 0.00 H new ATOM 1448 N SER A 95 -5.975 17.474 -20.975 1.00 0.00 N ATOM 1449 CA SER A 95 -6.010 18.589 -21.915 1.00 0.00 C ATOM 1450 C SER A 95 -7.303 19.386 -21.767 1.00 0.00 C ATOM 1451 O SER A 95 -8.224 18.969 -21.065 1.00 0.00 O ATOM 1452 CB SER A 95 -5.876 18.077 -23.351 1.00 0.00 C ATOM 1453 OG SER A 95 -6.868 17.108 -23.641 1.00 0.00 O ATOM 0 H SER A 95 -5.691 16.584 -21.386 1.00 0.00 H new ATOM 0 HA SER A 95 -5.171 19.247 -21.690 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.963 18.911 -24.047 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.886 17.643 -23.495 1.00 0.00 H new ATOM 0 HG SER A 95 -6.762 16.798 -24.565 1.00 0.00 H new ATOM 1459 N SER A 96 -7.362 20.534 -22.432 1.00 0.00 N ATOM 1460 CA SER A 96 -8.539 21.392 -22.372 1.00 0.00 C ATOM 1461 C SER A 96 -8.899 21.920 -23.757 1.00 0.00 C ATOM 1462 O SER A 96 -8.152 21.737 -24.718 1.00 0.00 O ATOM 1463 CB SER A 96 -8.295 22.562 -21.416 1.00 0.00 C ATOM 1464 OG SER A 96 -7.160 23.314 -21.809 1.00 0.00 O ATOM 0 H SER A 96 -6.608 20.892 -23.019 1.00 0.00 H new ATOM 0 HA SER A 96 -9.373 20.796 -22.002 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.173 23.207 -21.395 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.152 22.185 -20.403 1.00 0.00 H new ATOM 0 HG SER A 96 -7.027 24.056 -21.183 1.00 0.00 H new ATOM 1470 N GLY A 97 -10.052 22.577 -23.854 1.00 0.00 N ATOM 1471 CA GLY A 97 -10.491 23.121 -25.125 1.00 0.00 C ATOM 1472 C GLY A 97 -11.985 22.967 -25.335 1.00 0.00 C ATOM 1473 O GLY A 97 -12.553 21.914 -25.048 1.00 0.00 O ATOM 0 H GLY A 97 -10.689 22.742 -23.075 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.227 24.177 -25.176 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -9.960 22.620 -25.934 1.00 0.00 H new TER 1477 GLY A 97