USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 551 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 48 THR OG1 : rot -172:sc= 0.716 USER MOD Set 1.2: A 50 THR OG1 : rot 67:sc= 0.816 USER MOD Set 2.1: A 31 GLN : amide:sc= -2.18 K(o=-1.4,f=-4.3!) USER MOD Set 2.2: A 33 TYR OH : rot -107:sc= 0.788 USER MOD Single : A 1 ASP N :NH3+ -170:sc= 0.0959 (180deg=0.0318) USER MOD Single : A 2 SER OG : rot 81:sc= 0.862 USER MOD Single : A 4 MET CE :methyl -148:sc= -0.401 (180deg=-2.22!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -120:sc= -3.33! USER MOD Single : A 16 TYR OH : rot -165:sc= 0.997 USER MOD Single : A 20 LYS NZ :NH3+ 165:sc= -0.326 (180deg=-0.875) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -10:sc= 1.62 USER MOD Single : A 34 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.34) USER MOD Single : A 35 ASN : amide:sc= -7.12! C(o=-7.1!,f=-20!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-6.4!) USER MOD Single : A 43 ASN : amide:sc= -3.6 K(o=-3.6,f=-4.8!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -1.86! C(o=-1.9!,f=-6.6!) USER MOD Single : A 51 HIS : no HD1:sc= -4.57! C(o=-4.6!,f=-5.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0918 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -40:sc= 0.848 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -15.893 -11.859 8.243 1.00 0.00 N ATOM 2 CA ASP A 1 -14.418 -11.747 8.428 1.00 0.00 C ATOM 3 C ASP A 1 -13.979 -10.307 8.159 1.00 0.00 C ATOM 4 O ASP A 1 -14.762 -9.476 7.743 1.00 0.00 O ATOM 5 CB ASP A 1 -13.708 -12.686 7.451 1.00 0.00 C ATOM 6 CG ASP A 1 -14.134 -14.129 7.731 1.00 0.00 C ATOM 7 OD1 ASP A 1 -14.675 -14.371 8.797 1.00 0.00 O ATOM 8 OD2 ASP A 1 -13.912 -14.968 6.874 1.00 0.00 O ATOM 0 H1 ASP A 1 -16.217 -12.786 8.587 1.00 0.00 H new ATOM 0 H2 ASP A 1 -16.368 -11.105 8.779 1.00 0.00 H new ATOM 0 H3 ASP A 1 -16.124 -11.764 7.234 1.00 0.00 H new ATOM 0 HA ASP A 1 -14.159 -12.022 9.450 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.955 -12.415 6.425 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -12.627 -12.588 7.555 1.00 0.00 H new ATOM 15 N SER A 2 -12.731 -10.003 8.391 1.00 0.00 N ATOM 16 CA SER A 2 -12.244 -8.616 8.148 1.00 0.00 C ATOM 17 C SER A 2 -12.701 -8.150 6.765 1.00 0.00 C ATOM 18 O SER A 2 -12.905 -6.975 6.532 1.00 0.00 O ATOM 19 CB SER A 2 -10.716 -8.594 8.211 1.00 0.00 C ATOM 20 OG SER A 2 -10.298 -8.483 9.563 1.00 0.00 O ATOM 0 H SER A 2 -12.028 -10.655 8.738 1.00 0.00 H new ATOM 0 HA SER A 2 -12.650 -7.950 8.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.310 -9.503 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.330 -7.756 7.630 1.00 0.00 H new ATOM 0 HG SER A 2 -10.330 -9.365 9.989 1.00 0.00 H new ATOM 26 N GLU A 3 -12.871 -9.062 5.849 1.00 0.00 N ATOM 27 CA GLU A 3 -13.321 -8.671 4.485 1.00 0.00 C ATOM 28 C GLU A 3 -14.530 -7.750 4.616 1.00 0.00 C ATOM 29 O GLU A 3 -14.787 -6.916 3.771 1.00 0.00 O ATOM 30 CB GLU A 3 -13.714 -9.923 3.698 1.00 0.00 C ATOM 31 CG GLU A 3 -12.534 -10.375 2.835 1.00 0.00 C ATOM 32 CD GLU A 3 -12.931 -11.623 2.043 1.00 0.00 C ATOM 33 OE1 GLU A 3 -14.119 -11.833 1.864 1.00 0.00 O ATOM 34 OE2 GLU A 3 -12.040 -12.346 1.628 1.00 0.00 O ATOM 0 H GLU A 3 -12.718 -10.061 5.986 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.516 -8.157 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.004 -10.720 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.579 -9.713 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.241 -9.576 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.670 -10.590 3.464 1.00 0.00 H new ATOM 41 N MET A 4 -15.269 -7.895 5.680 1.00 0.00 N ATOM 42 CA MET A 4 -16.462 -7.028 5.883 1.00 0.00 C ATOM 43 C MET A 4 -16.003 -5.643 6.340 1.00 0.00 C ATOM 44 O MET A 4 -16.642 -4.645 6.068 1.00 0.00 O ATOM 45 CB MET A 4 -17.364 -7.646 6.951 1.00 0.00 C ATOM 46 CG MET A 4 -17.735 -9.072 6.540 1.00 0.00 C ATOM 47 SD MET A 4 -18.735 -9.026 5.033 1.00 0.00 S ATOM 48 CE MET A 4 -20.077 -7.999 5.682 1.00 0.00 C ATOM 0 H MET A 4 -15.098 -8.577 6.419 1.00 0.00 H new ATOM 0 HA MET A 4 -17.017 -6.940 4.949 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.853 -7.655 7.914 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.265 -7.045 7.074 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.832 -9.660 6.372 1.00 0.00 H new ATOM 0 HG3 MET A 4 -18.289 -9.560 7.342 1.00 0.00 H new ATOM 0 HE1 MET A 4 -21.015 -8.281 5.203 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.161 -8.147 6.759 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.865 -6.950 5.476 1.00 0.00 H new ATOM 58 N CYS A 5 -14.898 -5.575 7.030 1.00 0.00 N ATOM 59 CA CYS A 5 -14.395 -4.255 7.502 1.00 0.00 C ATOM 60 C CYS A 5 -13.680 -3.544 6.350 1.00 0.00 C ATOM 61 O CYS A 5 -13.305 -2.393 6.454 1.00 0.00 O ATOM 62 CB CYS A 5 -13.408 -4.462 8.652 1.00 0.00 C ATOM 63 SG CYS A 5 -14.010 -5.777 9.729 1.00 0.00 S ATOM 0 H CYS A 5 -14.322 -6.377 7.287 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.235 -3.651 7.846 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.424 -4.720 8.260 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.293 -3.538 9.218 1.00 0.00 H new ATOM 68 N LYS A 6 -13.483 -4.223 5.253 1.00 0.00 N ATOM 69 CA LYS A 6 -12.788 -3.587 4.099 1.00 0.00 C ATOM 70 C LYS A 6 -13.554 -2.342 3.647 1.00 0.00 C ATOM 71 O LYS A 6 -13.001 -1.456 3.028 1.00 0.00 O ATOM 72 CB LYS A 6 -12.714 -4.583 2.942 1.00 0.00 C ATOM 73 CG LYS A 6 -11.671 -5.652 3.261 1.00 0.00 C ATOM 74 CD LYS A 6 -11.301 -6.404 1.981 1.00 0.00 C ATOM 75 CE LYS A 6 -10.391 -7.584 2.328 1.00 0.00 C ATOM 76 NZ LYS A 6 -8.973 -7.209 2.064 1.00 0.00 N ATOM 0 H LYS A 6 -13.773 -5.190 5.106 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.782 -3.297 4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.688 -5.045 2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.451 -4.066 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.783 -5.191 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.063 -6.347 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.202 -6.760 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.796 -5.734 1.286 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.517 -7.859 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.665 -8.456 1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.353 -8.010 2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.859 -6.967 1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.716 -6.389 2.649 1.00 0.00 H new ATOM 90 N ASP A 7 -14.823 -2.268 3.940 1.00 0.00 N ATOM 91 CA ASP A 7 -15.609 -1.075 3.508 1.00 0.00 C ATOM 92 C ASP A 7 -16.749 -0.802 4.494 1.00 0.00 C ATOM 93 O ASP A 7 -17.911 -0.877 4.146 1.00 0.00 O ATOM 94 CB ASP A 7 -16.194 -1.332 2.119 1.00 0.00 C ATOM 95 CG ASP A 7 -16.888 -0.064 1.615 1.00 0.00 C ATOM 96 OD1 ASP A 7 -16.816 0.940 2.305 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.479 -0.119 0.550 1.00 0.00 O ATOM 0 H ASP A 7 -15.347 -2.975 4.455 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.949 -0.208 3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -15.403 -1.626 1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.905 -2.157 2.159 1.00 0.00 H new ATOM 102 N TYR A 8 -16.431 -0.469 5.715 1.00 0.00 N ATOM 103 CA TYR A 8 -17.505 -0.174 6.706 1.00 0.00 C ATOM 104 C TYR A 8 -17.180 1.142 7.422 1.00 0.00 C ATOM 105 O TYR A 8 -16.088 1.663 7.310 1.00 0.00 O ATOM 106 CB TYR A 8 -17.609 -1.325 7.720 1.00 0.00 C ATOM 107 CG TYR A 8 -16.570 -1.163 8.807 1.00 0.00 C ATOM 108 CD1 TYR A 8 -15.214 -1.321 8.507 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.969 -0.854 10.114 1.00 0.00 C ATOM 110 CE1 TYR A 8 -14.253 -1.171 9.514 1.00 0.00 C ATOM 111 CE2 TYR A 8 -16.008 -0.703 11.120 1.00 0.00 C ATOM 112 CZ TYR A 8 -14.650 -0.861 10.820 1.00 0.00 C ATOM 113 OH TYR A 8 -13.702 -0.714 11.813 1.00 0.00 O ATOM 0 H TYR A 8 -15.478 -0.389 6.069 1.00 0.00 H new ATOM 0 HA TYR A 8 -18.463 -0.076 6.195 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -18.606 -1.342 8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -17.468 -2.279 7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.908 -1.559 7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -18.017 -0.732 10.345 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.205 -1.294 9.283 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -16.314 -0.465 12.128 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.868 -1.369 12.523 1.00 0.00 H new ATOM 123 N ARG A 9 -18.116 1.685 8.151 1.00 0.00 N ATOM 124 CA ARG A 9 -17.848 2.967 8.864 1.00 0.00 C ATOM 125 C ARG A 9 -18.579 2.973 10.207 1.00 0.00 C ATOM 126 O ARG A 9 -19.698 2.512 10.320 1.00 0.00 O ATOM 127 CB ARG A 9 -18.343 4.137 8.009 1.00 0.00 C ATOM 128 CG ARG A 9 -17.419 4.311 6.802 1.00 0.00 C ATOM 129 CD ARG A 9 -17.864 5.530 5.990 1.00 0.00 C ATOM 130 NE ARG A 9 -17.197 5.508 4.658 1.00 0.00 N ATOM 131 CZ ARG A 9 -16.454 6.513 4.283 1.00 0.00 C ATOM 132 NH1 ARG A 9 -16.793 7.732 4.604 1.00 0.00 N ATOM 133 NH2 ARG A 9 -15.371 6.300 3.586 1.00 0.00 N ATOM 0 H ARG A 9 -19.051 1.299 8.284 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.776 3.067 9.037 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.364 3.952 7.676 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.362 5.052 8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.389 4.439 7.135 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.444 3.417 6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.947 5.523 5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.610 6.447 6.521 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.321 4.707 4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.639 7.899 5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.212 8.517 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.105 5.348 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.790 7.086 3.293 1.00 0.00 H new ATOM 147 N VAL A 10 -17.955 3.495 11.228 1.00 0.00 N ATOM 148 CA VAL A 10 -18.612 3.534 12.565 1.00 0.00 C ATOM 149 C VAL A 10 -18.405 4.913 13.195 1.00 0.00 C ATOM 150 O VAL A 10 -17.297 5.405 13.288 1.00 0.00 O ATOM 151 CB VAL A 10 -17.997 2.462 13.466 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.484 2.663 14.903 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.421 1.078 12.974 1.00 0.00 C ATOM 0 H VAL A 10 -17.018 3.896 11.194 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.679 3.344 12.452 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.910 2.542 13.436 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.046 1.899 15.546 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.183 3.650 15.255 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.571 2.583 14.933 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.983 0.314 13.616 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.508 0.998 13.004 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -18.075 0.934 11.950 1.00 0.00 H new ATOM 163 N LEU A 11 -19.463 5.541 13.627 1.00 0.00 N ATOM 164 CA LEU A 11 -19.332 6.889 14.249 1.00 0.00 C ATOM 165 C LEU A 11 -19.738 6.808 15.724 1.00 0.00 C ATOM 166 O LEU A 11 -20.299 5.826 16.165 1.00 0.00 O ATOM 167 CB LEU A 11 -20.252 7.870 13.519 1.00 0.00 C ATOM 168 CG LEU A 11 -19.503 8.493 12.339 1.00 0.00 C ATOM 169 CD1 LEU A 11 -19.401 7.471 11.204 1.00 0.00 C ATOM 170 CD2 LEU A 11 -20.263 9.727 11.847 1.00 0.00 C ATOM 0 H LEU A 11 -20.415 5.178 13.576 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.300 7.231 14.175 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.144 7.353 13.165 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.586 8.650 14.204 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.502 8.785 12.657 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.868 7.914 10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.861 6.591 11.554 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.402 7.179 10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -19.730 10.171 11.006 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.264 9.435 11.529 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.337 10.455 12.655 1.00 0.00 H new ATOM 182 N PRO A 12 -19.451 7.868 16.498 1.00 0.00 N ATOM 183 CA PRO A 12 -19.791 7.917 17.926 1.00 0.00 C ATOM 184 C PRO A 12 -21.307 7.943 18.139 1.00 0.00 C ATOM 185 O PRO A 12 -21.807 7.539 19.171 1.00 0.00 O ATOM 186 CB PRO A 12 -19.164 9.230 18.399 1.00 0.00 C ATOM 187 CG PRO A 12 -19.073 10.060 17.164 1.00 0.00 C ATOM 188 CD PRO A 12 -18.776 9.099 16.050 1.00 0.00 C ATOM 0 HA PRO A 12 -19.429 7.044 18.469 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.778 9.713 19.159 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -18.181 9.065 18.841 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -20.005 10.594 16.982 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.288 10.810 17.254 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -19.167 9.451 15.096 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.704 8.949 15.919 1.00 0.00 H new ATOM 196 N ARG A 13 -22.041 8.405 17.165 1.00 0.00 N ATOM 197 CA ARG A 13 -23.523 8.445 17.301 1.00 0.00 C ATOM 198 C ARG A 13 -24.118 7.230 16.587 1.00 0.00 C ATOM 199 O ARG A 13 -25.177 6.746 16.936 1.00 0.00 O ATOM 200 CB ARG A 13 -24.062 9.726 16.661 1.00 0.00 C ATOM 201 CG ARG A 13 -23.563 10.940 17.447 1.00 0.00 C ATOM 202 CD ARG A 13 -24.164 12.215 16.850 1.00 0.00 C ATOM 203 NE ARG A 13 -23.483 13.405 17.433 1.00 0.00 N ATOM 204 CZ ARG A 13 -23.615 13.677 18.701 1.00 0.00 C ATOM 205 NH1 ARG A 13 -24.732 13.399 19.316 1.00 0.00 N ATOM 206 NH2 ARG A 13 -22.629 14.227 19.357 1.00 0.00 N ATOM 0 H ARG A 13 -21.677 8.757 16.279 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.798 8.428 18.356 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.735 9.792 15.623 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.152 9.709 16.651 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -23.845 10.849 18.496 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.475 10.987 17.412 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -24.049 12.211 15.766 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.233 12.257 17.057 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.913 14.007 16.839 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -25.502 12.969 18.804 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.835 13.612 20.308 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.755 14.444 18.877 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -22.732 14.440 20.349 1.00 0.00 H new ATOM 220 N ILE A 14 -23.438 6.732 15.591 1.00 0.00 N ATOM 221 CA ILE A 14 -23.951 5.546 14.850 1.00 0.00 C ATOM 222 C ILE A 14 -23.475 4.270 15.545 1.00 0.00 C ATOM 223 O ILE A 14 -24.230 3.337 15.738 1.00 0.00 O ATOM 224 CB ILE A 14 -23.418 5.571 13.416 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.854 6.867 12.729 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.970 4.371 12.645 1.00 0.00 C ATOM 227 CD1 ILE A 14 -25.351 7.087 12.955 1.00 0.00 C ATOM 0 H ILE A 14 -22.546 7.097 15.258 1.00 0.00 H new ATOM 0 HA ILE A 14 -25.041 5.570 14.834 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.329 5.521 13.433 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -23.288 7.710 13.126 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -23.641 6.815 11.661 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.590 4.389 11.623 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.655 3.449 13.133 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -25.059 4.419 12.628 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -25.661 8.010 12.466 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -25.909 6.249 12.537 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -25.551 7.158 14.024 1.00 0.00 H new ATOM 239 N GLY A 15 -22.227 4.220 15.922 1.00 0.00 N ATOM 240 CA GLY A 15 -21.700 3.004 16.602 1.00 0.00 C ATOM 241 C GLY A 15 -21.552 1.875 15.580 1.00 0.00 C ATOM 242 O GLY A 15 -21.589 2.097 14.386 1.00 0.00 O ATOM 0 H GLY A 15 -21.549 4.970 15.788 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.737 3.221 17.063 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.375 2.699 17.402 1.00 0.00 H new ATOM 246 N TYR A 16 -21.384 0.666 16.038 1.00 0.00 N ATOM 247 CA TYR A 16 -21.234 -0.476 15.092 1.00 0.00 C ATOM 248 C TYR A 16 -22.567 -1.216 14.972 1.00 0.00 C ATOM 249 O TYR A 16 -23.348 -1.259 15.901 1.00 0.00 O ATOM 250 CB TYR A 16 -20.167 -1.437 15.618 1.00 0.00 C ATOM 251 CG TYR A 16 -19.472 -2.107 14.457 1.00 0.00 C ATOM 252 CD1 TYR A 16 -20.162 -3.035 13.668 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.135 -1.803 14.171 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.516 -3.658 12.593 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.489 -2.425 13.096 1.00 0.00 C ATOM 256 CZ TYR A 16 -18.181 -3.353 12.307 1.00 0.00 C ATOM 257 OH TYR A 16 -17.544 -3.967 11.248 1.00 0.00 O ATOM 0 H TYR A 16 -21.344 0.419 17.027 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.936 -0.100 14.113 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.442 -0.895 16.225 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.625 -2.187 16.263 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -21.193 -3.270 13.888 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.602 -1.088 14.780 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.049 -4.374 11.985 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.458 -2.190 12.875 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.576 -3.835 11.327 1.00 0.00 H new ATOM 267 N LEU A 17 -22.831 -1.802 13.838 1.00 0.00 N ATOM 268 CA LEU A 17 -24.112 -2.541 13.664 1.00 0.00 C ATOM 269 C LEU A 17 -23.826 -4.039 13.565 1.00 0.00 C ATOM 270 O LEU A 17 -22.924 -4.466 12.876 1.00 0.00 O ATOM 271 CB LEU A 17 -24.813 -2.073 12.389 1.00 0.00 C ATOM 272 CG LEU A 17 -25.373 -0.663 12.588 1.00 0.00 C ATOM 273 CD1 LEU A 17 -26.095 -0.574 13.936 1.00 0.00 C ATOM 274 CD2 LEU A 17 -24.228 0.351 12.553 1.00 0.00 C ATOM 0 H LEU A 17 -22.216 -1.801 13.025 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.757 -2.346 14.521 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.112 -2.080 11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -25.619 -2.761 12.134 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.080 -0.442 11.788 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -26.491 0.433 14.071 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -26.914 -1.292 13.958 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.394 -0.799 14.740 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.627 1.355 12.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -23.519 0.127 13.350 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -23.721 0.295 11.590 1.00 0.00 H new ATOM 286 N CYS A 18 -24.597 -4.836 14.251 1.00 0.00 N ATOM 287 CA CYS A 18 -24.388 -6.313 14.211 1.00 0.00 C ATOM 288 C CYS A 18 -25.741 -7.011 14.347 1.00 0.00 C ATOM 289 O CYS A 18 -26.691 -6.444 14.853 1.00 0.00 O ATOM 290 CB CYS A 18 -23.482 -6.731 15.371 1.00 0.00 C ATOM 291 SG CYS A 18 -21.891 -5.879 15.232 1.00 0.00 S ATOM 0 H CYS A 18 -25.369 -4.527 14.842 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.920 -6.594 13.267 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.955 -6.487 16.322 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.331 -7.810 15.358 1.00 0.00 H new ATOM 296 N PRO A 19 -25.831 -8.266 13.887 1.00 0.00 N ATOM 297 CA PRO A 19 -27.072 -9.043 13.959 1.00 0.00 C ATOM 298 C PRO A 19 -27.400 -9.448 15.397 1.00 0.00 C ATOM 299 O PRO A 19 -26.571 -9.362 16.281 1.00 0.00 O ATOM 300 CB PRO A 19 -26.773 -10.282 13.117 1.00 0.00 C ATOM 301 CG PRO A 19 -25.288 -10.418 13.158 1.00 0.00 C ATOM 302 CD PRO A 19 -24.733 -9.023 13.265 1.00 0.00 C ATOM 0 HA PRO A 19 -27.933 -8.475 13.606 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.263 -11.166 13.525 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.132 -10.162 12.095 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.978 -11.025 14.008 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.919 -10.914 12.260 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.830 -8.995 13.875 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.470 -8.619 12.287 1.00 0.00 H new ATOM 310 N LYS A 20 -28.604 -9.885 15.638 1.00 0.00 N ATOM 311 CA LYS A 20 -28.984 -10.290 17.021 1.00 0.00 C ATOM 312 C LYS A 20 -28.558 -11.737 17.265 1.00 0.00 C ATOM 313 O LYS A 20 -28.263 -12.127 18.377 1.00 0.00 O ATOM 314 CB LYS A 20 -30.499 -10.167 17.190 1.00 0.00 C ATOM 315 CG LYS A 20 -30.870 -10.398 18.656 1.00 0.00 C ATOM 316 CD LYS A 20 -30.577 -9.131 19.462 1.00 0.00 C ATOM 317 CE LYS A 20 -31.086 -9.308 20.894 1.00 0.00 C ATOM 318 NZ LYS A 20 -30.919 -10.731 21.306 1.00 0.00 N ATOM 0 H LYS A 20 -29.341 -9.979 14.939 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.485 -9.640 17.740 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.832 -9.179 16.871 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -31.006 -10.895 16.557 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -31.925 -10.658 18.738 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.302 -11.237 19.058 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -29.506 -8.931 19.468 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -31.060 -8.272 18.997 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -30.535 -8.655 21.571 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -32.135 -9.020 20.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -31.020 -10.808 22.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -31.645 -11.314 20.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -29.975 -11.065 21.024 1.00 0.00 H new ATOM 332 N ASP A 21 -28.522 -12.536 16.236 1.00 0.00 N ATOM 333 CA ASP A 21 -28.112 -13.957 16.412 1.00 0.00 C ATOM 334 C ASP A 21 -26.705 -14.009 17.008 1.00 0.00 C ATOM 335 O ASP A 21 -25.779 -13.420 16.488 1.00 0.00 O ATOM 336 CB ASP A 21 -28.114 -14.658 15.054 1.00 0.00 C ATOM 337 CG ASP A 21 -29.492 -14.511 14.406 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.420 -14.144 15.108 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.598 -14.770 13.218 1.00 0.00 O ATOM 0 H ASP A 21 -28.759 -12.267 15.281 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.811 -14.458 17.082 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.349 -14.226 14.409 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.869 -15.713 15.177 1.00 0.00 H new ATOM 344 N LEU A 22 -26.535 -14.710 18.097 1.00 0.00 N ATOM 345 CA LEU A 22 -25.185 -14.796 18.720 1.00 0.00 C ATOM 346 C LEU A 22 -24.430 -15.990 18.138 1.00 0.00 C ATOM 347 O LEU A 22 -24.828 -17.128 18.296 1.00 0.00 O ATOM 348 CB LEU A 22 -25.327 -14.973 20.234 1.00 0.00 C ATOM 349 CG LEU A 22 -23.938 -15.111 20.862 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.112 -13.861 20.553 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.077 -15.268 22.378 1.00 0.00 C ATOM 0 H LEU A 22 -27.271 -15.225 18.580 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.633 -13.879 18.513 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.849 -14.118 20.664 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -25.927 -15.856 20.453 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.439 -15.988 20.450 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.123 -13.959 21.000 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.013 -13.748 19.473 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.611 -12.984 20.965 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.088 -15.366 22.826 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.576 -14.391 22.790 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.666 -16.158 22.599 1.00 0.00 H new ATOM 363 N LYS A 23 -23.338 -15.744 17.469 1.00 0.00 N ATOM 364 CA LYS A 23 -22.555 -16.868 16.882 1.00 0.00 C ATOM 365 C LYS A 23 -21.093 -16.741 17.312 1.00 0.00 C ATOM 366 O LYS A 23 -20.370 -15.887 16.838 1.00 0.00 O ATOM 367 CB LYS A 23 -22.650 -16.817 15.355 1.00 0.00 C ATOM 368 CG LYS A 23 -23.978 -17.430 14.909 1.00 0.00 C ATOM 369 CD LYS A 23 -24.018 -17.503 13.382 1.00 0.00 C ATOM 370 CE LYS A 23 -25.274 -16.793 12.872 1.00 0.00 C ATOM 371 NZ LYS A 23 -24.943 -15.379 12.535 1.00 0.00 N ATOM 0 H LYS A 23 -22.954 -14.814 17.303 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.957 -17.818 17.234 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.578 -15.786 15.009 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.817 -17.361 14.909 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.092 -18.427 15.335 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.810 -16.829 15.277 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.127 -17.037 12.961 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -24.017 -18.543 13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.663 -17.306 11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -26.056 -16.824 13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -25.796 -14.896 12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -24.591 -14.893 13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.211 -15.360 11.797 1.00 0.00 H new ATOM 385 N PRO A 24 -20.658 -17.610 18.238 1.00 0.00 N ATOM 386 CA PRO A 24 -19.283 -17.604 18.760 1.00 0.00 C ATOM 387 C PRO A 24 -18.255 -17.944 17.681 1.00 0.00 C ATOM 388 O PRO A 24 -18.315 -18.985 17.059 1.00 0.00 O ATOM 389 CB PRO A 24 -19.306 -18.694 19.833 1.00 0.00 C ATOM 390 CG PRO A 24 -20.426 -19.588 19.426 1.00 0.00 C ATOM 391 CD PRO A 24 -21.469 -18.679 18.842 1.00 0.00 C ATOM 0 HA PRO A 24 -18.993 -16.623 19.136 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.360 -19.234 19.872 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.473 -18.273 20.824 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.094 -20.326 18.696 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.819 -20.139 20.280 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.084 -19.190 18.101 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.145 -18.294 19.605 1.00 0.00 H new ATOM 399 N VAL A 25 -17.312 -17.072 17.454 1.00 0.00 N ATOM 400 CA VAL A 25 -16.283 -17.348 16.414 1.00 0.00 C ATOM 401 C VAL A 25 -14.899 -17.411 17.055 1.00 0.00 C ATOM 402 O VAL A 25 -14.646 -16.806 18.078 1.00 0.00 O ATOM 403 CB VAL A 25 -16.282 -16.228 15.373 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.685 -16.056 14.794 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.842 -14.923 16.039 1.00 0.00 C ATOM 0 H VAL A 25 -17.210 -16.182 17.943 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.518 -18.300 15.939 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.592 -16.483 14.568 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.677 -15.257 14.053 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.000 -16.986 14.321 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.380 -15.802 15.594 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.839 -14.121 15.301 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.534 -14.674 16.844 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.839 -15.043 16.448 1.00 0.00 H new ATOM 415 N CYS A 26 -13.994 -18.121 16.443 1.00 0.00 N ATOM 416 CA CYS A 26 -12.615 -18.204 16.995 1.00 0.00 C ATOM 417 C CYS A 26 -11.738 -17.196 16.249 1.00 0.00 C ATOM 418 O CYS A 26 -11.841 -17.045 15.050 1.00 0.00 O ATOM 419 CB CYS A 26 -12.062 -19.618 16.798 1.00 0.00 C ATOM 420 SG CYS A 26 -10.341 -19.679 17.358 1.00 0.00 S ATOM 0 H CYS A 26 -14.150 -18.648 15.584 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.623 -17.978 18.061 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.663 -20.336 17.357 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.124 -19.901 15.747 1.00 0.00 H new ATOM 425 N GLY A 27 -10.891 -16.493 16.946 1.00 0.00 N ATOM 426 CA GLY A 27 -10.025 -15.486 16.269 1.00 0.00 C ATOM 427 C GLY A 27 -8.693 -16.125 15.876 1.00 0.00 C ATOM 428 O GLY A 27 -8.127 -16.909 16.612 1.00 0.00 O ATOM 0 H GLY A 27 -10.760 -16.571 17.955 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.528 -15.098 15.383 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.850 -14.639 16.933 1.00 0.00 H new ATOM 432 N ASP A 28 -8.186 -15.793 14.720 1.00 0.00 N ATOM 433 CA ASP A 28 -6.888 -16.377 14.278 1.00 0.00 C ATOM 434 C ASP A 28 -5.756 -15.815 15.142 1.00 0.00 C ATOM 435 O ASP A 28 -4.639 -16.293 15.105 1.00 0.00 O ATOM 436 CB ASP A 28 -6.638 -16.018 12.812 1.00 0.00 C ATOM 437 CG ASP A 28 -6.575 -14.496 12.663 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.544 -13.823 13.680 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.558 -14.033 11.535 1.00 0.00 O ATOM 0 H ASP A 28 -8.615 -15.142 14.062 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.923 -17.461 14.384 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.705 -16.466 12.471 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.434 -16.423 12.187 1.00 0.00 H new ATOM 444 N ASP A 29 -6.035 -14.804 15.917 1.00 0.00 N ATOM 445 CA ASP A 29 -4.973 -14.215 16.781 1.00 0.00 C ATOM 446 C ASP A 29 -4.957 -14.930 18.134 1.00 0.00 C ATOM 447 O ASP A 29 -4.306 -14.502 19.066 1.00 0.00 O ATOM 448 CB ASP A 29 -5.257 -12.727 16.993 1.00 0.00 C ATOM 449 CG ASP A 29 -6.601 -12.562 17.706 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.155 -13.566 18.124 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.053 -11.435 17.822 1.00 0.00 O ATOM 0 H ASP A 29 -6.951 -14.361 15.990 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.004 -14.336 16.297 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.461 -12.274 17.585 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.276 -12.209 16.034 1.00 0.00 H new ATOM 456 N GLY A 30 -5.670 -16.018 18.250 1.00 0.00 N ATOM 457 CA GLY A 30 -5.694 -16.758 19.543 1.00 0.00 C ATOM 458 C GLY A 30 -6.778 -16.168 20.449 1.00 0.00 C ATOM 459 O GLY A 30 -6.770 -16.359 21.649 1.00 0.00 O ATOM 0 H GLY A 30 -6.236 -16.425 17.506 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.889 -17.816 19.365 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.721 -16.691 20.031 1.00 0.00 H new ATOM 463 N GLN A 31 -7.710 -15.451 19.882 1.00 0.00 N ATOM 464 CA GLN A 31 -8.794 -14.848 20.709 1.00 0.00 C ATOM 465 C GLN A 31 -10.147 -15.394 20.249 1.00 0.00 C ATOM 466 O GLN A 31 -10.247 -16.049 19.234 1.00 0.00 O ATOM 467 CB GLN A 31 -8.777 -13.328 20.542 1.00 0.00 C ATOM 468 CG GLN A 31 -7.488 -12.764 21.142 1.00 0.00 C ATOM 469 CD GLN A 31 -7.390 -11.269 20.828 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.205 -10.734 20.102 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.421 -10.568 21.349 1.00 0.00 N ATOM 0 H GLN A 31 -7.768 -15.257 18.882 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.635 -15.101 21.757 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.844 -13.067 19.486 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.644 -12.887 21.035 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.477 -12.921 22.221 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.624 -13.289 20.734 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.737 -11.017 21.958 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.347 -9.571 21.147 1.00 0.00 H new ATOM 480 N THR A 32 -11.189 -15.127 20.986 1.00 0.00 N ATOM 481 CA THR A 32 -12.536 -15.630 20.588 1.00 0.00 C ATOM 482 C THR A 32 -13.556 -14.500 20.719 1.00 0.00 C ATOM 483 O THR A 32 -13.586 -13.789 21.704 1.00 0.00 O ATOM 484 CB THR A 32 -12.939 -16.788 21.504 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.057 -17.883 21.295 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.372 -17.215 21.188 1.00 0.00 C ATOM 0 H THR A 32 -11.167 -14.582 21.848 1.00 0.00 H new ATOM 0 HA THR A 32 -12.506 -15.978 19.555 1.00 0.00 H new ATOM 0 HB THR A 32 -12.880 -16.468 22.544 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.502 -17.710 20.506 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.658 -18.040 21.841 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.046 -16.374 21.349 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.435 -17.536 20.148 1.00 0.00 H new ATOM 494 N TYR A 33 -14.393 -14.328 19.735 1.00 0.00 N ATOM 495 CA TYR A 33 -15.410 -13.243 19.805 1.00 0.00 C ATOM 496 C TYR A 33 -16.805 -13.864 19.862 1.00 0.00 C ATOM 497 O TYR A 33 -17.140 -14.731 19.081 1.00 0.00 O ATOM 498 CB TYR A 33 -15.289 -12.353 18.569 1.00 0.00 C ATOM 499 CG TYR A 33 -13.853 -11.917 18.407 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.941 -12.743 17.739 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.432 -10.687 18.928 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.609 -12.339 17.591 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.100 -10.284 18.781 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.188 -11.110 18.112 1.00 0.00 C ATOM 505 OH TYR A 33 -9.875 -10.712 17.967 1.00 0.00 O ATOM 0 H TYR A 33 -14.417 -14.892 18.885 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.246 -12.640 20.698 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.619 -12.895 17.683 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.937 -11.482 18.669 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.265 -13.692 17.338 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.135 -10.050 19.443 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.906 -12.976 17.075 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.775 -9.336 19.183 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.415 -10.780 18.830 1.00 0.00 H new ATOM 515 N ASN A 34 -17.620 -13.431 20.784 1.00 0.00 N ATOM 516 CA ASN A 34 -18.988 -14.006 20.890 1.00 0.00 C ATOM 517 C ASN A 34 -19.711 -13.865 19.550 1.00 0.00 C ATOM 518 O ASN A 34 -19.818 -14.806 18.795 1.00 0.00 O ATOM 519 CB ASN A 34 -19.770 -13.276 21.987 1.00 0.00 C ATOM 520 CG ASN A 34 -18.860 -13.046 23.192 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.159 -13.942 23.620 1.00 0.00 O ATOM 522 ND2 ASN A 34 -18.840 -11.873 23.762 1.00 0.00 N ATOM 0 H ASN A 34 -17.398 -12.706 21.466 1.00 0.00 H new ATOM 0 HA ASN A 34 -18.918 -15.063 21.146 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.142 -12.323 21.611 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.640 -13.864 22.281 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.236 -11.707 24.567 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.428 -11.121 23.403 1.00 0.00 H new ATOM 529 N ASN A 35 -20.210 -12.703 19.245 1.00 0.00 N ATOM 530 CA ASN A 35 -20.924 -12.518 17.951 1.00 0.00 C ATOM 531 C ASN A 35 -19.908 -12.284 16.832 1.00 0.00 C ATOM 532 O ASN A 35 -18.864 -11.698 17.043 1.00 0.00 O ATOM 533 CB ASN A 35 -21.867 -11.317 18.074 1.00 0.00 C ATOM 534 CG ASN A 35 -22.426 -10.939 16.703 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.691 -10.537 15.823 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.708 -11.049 16.484 1.00 0.00 N ATOM 0 H ASN A 35 -20.155 -11.872 19.834 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.503 -13.410 17.712 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.684 -11.556 18.754 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.333 -10.469 18.503 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.093 -10.797 15.574 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.325 -11.387 17.223 1.00 0.00 H new ATOM 543 N PRO A 36 -20.222 -12.753 15.612 1.00 0.00 N ATOM 544 CA PRO A 36 -19.339 -12.595 14.448 1.00 0.00 C ATOM 545 C PRO A 36 -19.126 -11.123 14.092 1.00 0.00 C ATOM 546 O PRO A 36 -18.006 -10.665 13.975 1.00 0.00 O ATOM 547 CB PRO A 36 -20.090 -13.323 13.330 1.00 0.00 C ATOM 548 CG PRO A 36 -21.512 -13.296 13.771 1.00 0.00 C ATOM 549 CD PRO A 36 -21.460 -13.467 15.261 1.00 0.00 C ATOM 0 HA PRO A 36 -18.340 -12.993 14.627 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.960 -12.822 12.371 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.730 -14.344 13.207 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.992 -12.356 13.498 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.086 -14.095 13.302 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.332 -13.035 15.751 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.420 -14.517 15.549 1.00 0.00 H new ATOM 557 N CYS A 37 -20.179 -10.367 13.935 1.00 0.00 N ATOM 558 CA CYS A 37 -20.000 -8.929 13.612 1.00 0.00 C ATOM 559 C CYS A 37 -19.238 -8.276 14.765 1.00 0.00 C ATOM 560 O CYS A 37 -18.495 -7.333 14.581 1.00 0.00 O ATOM 561 CB CYS A 37 -21.368 -8.264 13.450 1.00 0.00 C ATOM 562 SG CYS A 37 -21.170 -6.467 13.438 1.00 0.00 S ATOM 0 H CYS A 37 -21.146 -10.682 14.016 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.445 -8.814 12.681 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.837 -8.595 12.523 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -22.027 -8.562 14.265 1.00 0.00 H new ATOM 567 N MET A 38 -19.411 -8.788 15.954 1.00 0.00 N ATOM 568 CA MET A 38 -18.693 -8.219 17.126 1.00 0.00 C ATOM 569 C MET A 38 -17.188 -8.417 16.927 1.00 0.00 C ATOM 570 O MET A 38 -16.377 -7.836 17.620 1.00 0.00 O ATOM 571 CB MET A 38 -19.144 -8.941 18.399 1.00 0.00 C ATOM 572 CG MET A 38 -20.280 -8.152 19.056 1.00 0.00 C ATOM 573 SD MET A 38 -20.751 -8.953 20.610 1.00 0.00 S ATOM 574 CE MET A 38 -22.482 -8.428 20.618 1.00 0.00 C ATOM 0 H MET A 38 -20.021 -9.578 16.162 1.00 0.00 H new ATOM 0 HA MET A 38 -18.916 -7.156 17.220 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.479 -9.950 18.159 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.307 -9.039 19.091 1.00 0.00 H new ATOM 0 HG2 MET A 38 -19.963 -7.126 19.245 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.138 -8.102 18.385 1.00 0.00 H new ATOM 0 HE1 MET A 38 -22.976 -8.818 21.508 1.00 0.00 H new ATOM 0 HE2 MET A 38 -22.532 -7.339 20.623 1.00 0.00 H new ATOM 0 HE3 MET A 38 -22.982 -8.810 19.728 1.00 0.00 H new ATOM 584 N LEU A 39 -16.813 -9.232 15.976 1.00 0.00 N ATOM 585 CA LEU A 39 -15.366 -9.467 15.719 1.00 0.00 C ATOM 586 C LEU A 39 -14.749 -8.186 15.165 1.00 0.00 C ATOM 587 O LEU A 39 -13.786 -7.669 15.695 1.00 0.00 O ATOM 588 CB LEU A 39 -15.211 -10.600 14.700 1.00 0.00 C ATOM 589 CG LEU A 39 -13.756 -10.679 14.236 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.845 -10.869 15.449 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.587 -11.864 13.283 1.00 0.00 C ATOM 0 H LEU A 39 -17.450 -9.745 15.366 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.861 -9.746 16.644 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.513 -11.548 15.146 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.866 -10.427 13.846 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.489 -9.757 13.720 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.808 -10.925 15.120 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.964 -10.026 16.129 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.113 -11.791 15.964 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.550 -11.920 12.952 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.854 -12.787 13.799 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.237 -11.731 12.418 1.00 0.00 H new ATOM 603 N CYS A 40 -15.309 -7.660 14.113 1.00 0.00 N ATOM 604 CA CYS A 40 -14.763 -6.401 13.541 1.00 0.00 C ATOM 605 C CYS A 40 -14.889 -5.301 14.594 1.00 0.00 C ATOM 606 O CYS A 40 -14.179 -4.316 14.571 1.00 0.00 O ATOM 607 CB CYS A 40 -15.556 -6.016 12.295 1.00 0.00 C ATOM 608 SG CYS A 40 -14.631 -4.781 11.364 1.00 0.00 S ATOM 0 H CYS A 40 -16.118 -8.046 13.627 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.718 -6.536 13.263 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.736 -6.896 11.677 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.532 -5.621 12.578 1.00 0.00 H new ATOM 613 N HIS A 41 -15.786 -5.476 15.526 1.00 0.00 N ATOM 614 CA HIS A 41 -15.962 -4.459 16.598 1.00 0.00 C ATOM 615 C HIS A 41 -14.740 -4.488 17.511 1.00 0.00 C ATOM 616 O HIS A 41 -14.059 -3.497 17.686 1.00 0.00 O ATOM 617 CB HIS A 41 -17.211 -4.792 17.410 1.00 0.00 C ATOM 618 CG HIS A 41 -17.680 -3.565 18.142 1.00 0.00 C ATOM 619 ND1 HIS A 41 -18.088 -2.419 17.478 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.807 -3.288 19.481 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.440 -1.514 18.410 1.00 0.00 C ATOM 622 NE2 HIS A 41 -18.286 -1.993 19.648 1.00 0.00 N ATOM 0 H HIS A 41 -16.406 -6.283 15.590 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.071 -3.468 16.157 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.998 -5.158 16.751 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.993 -5.590 18.120 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -18.116 -2.286 16.467 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.571 -3.972 20.283 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.803 -0.522 18.185 1.00 0.00 H new ATOM 630 N GLU A 42 -14.444 -5.623 18.085 1.00 0.00 N ATOM 631 CA GLU A 42 -13.253 -5.710 18.972 1.00 0.00 C ATOM 632 C GLU A 42 -12.010 -5.439 18.130 1.00 0.00 C ATOM 633 O GLU A 42 -10.963 -5.080 18.636 1.00 0.00 O ATOM 634 CB GLU A 42 -13.167 -7.111 19.582 1.00 0.00 C ATOM 635 CG GLU A 42 -12.089 -7.126 20.670 1.00 0.00 C ATOM 636 CD GLU A 42 -12.135 -8.463 21.412 1.00 0.00 C ATOM 637 OE1 GLU A 42 -13.046 -9.231 21.152 1.00 0.00 O ATOM 638 OE2 GLU A 42 -11.257 -8.696 22.226 1.00 0.00 O ATOM 0 H GLU A 42 -14.973 -6.488 17.978 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.329 -4.980 19.778 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.130 -7.395 20.005 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.930 -7.842 18.809 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.105 -6.978 20.225 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.250 -6.304 21.368 1.00 0.00 H new ATOM 645 N ASN A 43 -12.125 -5.597 16.839 1.00 0.00 N ATOM 646 CA ASN A 43 -10.959 -5.341 15.950 1.00 0.00 C ATOM 647 C ASN A 43 -10.763 -3.831 15.817 1.00 0.00 C ATOM 648 O ASN A 43 -9.657 -3.347 15.686 1.00 0.00 O ATOM 649 CB ASN A 43 -11.222 -5.954 14.573 1.00 0.00 C ATOM 650 CG ASN A 43 -11.217 -7.480 14.688 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.740 -8.027 15.663 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.730 -8.197 13.725 1.00 0.00 N ATOM 0 H ASN A 43 -12.977 -5.893 16.363 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.061 -5.792 16.373 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.182 -5.610 14.187 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.459 -5.629 13.866 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.730 -9.215 13.791 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.131 -7.739 12.906 1.00 0.00 H new ATOM 659 N LEU A 44 -11.832 -3.082 15.864 1.00 0.00 N ATOM 660 CA LEU A 44 -11.711 -1.603 15.756 1.00 0.00 C ATOM 661 C LEU A 44 -10.964 -1.080 16.984 1.00 0.00 C ATOM 662 O LEU A 44 -10.157 -0.176 16.898 1.00 0.00 O ATOM 663 CB LEU A 44 -13.107 -0.978 15.701 1.00 0.00 C ATOM 664 CG LEU A 44 -13.001 0.490 15.281 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.349 1.298 16.405 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.150 0.600 14.014 1.00 0.00 C ATOM 0 H LEU A 44 -12.784 -3.433 15.973 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.166 -1.340 14.850 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.732 -1.524 14.994 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.588 -1.053 16.676 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.998 0.882 15.083 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.274 2.343 16.105 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.956 1.222 17.307 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.352 0.905 16.604 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.075 1.646 13.716 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.153 0.206 14.210 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.615 0.026 13.212 1.00 0.00 H new ATOM 678 N ILE A 45 -11.224 -1.653 18.128 1.00 0.00 N ATOM 679 CA ILE A 45 -10.526 -1.204 19.364 1.00 0.00 C ATOM 680 C ILE A 45 -9.058 -1.616 19.282 1.00 0.00 C ATOM 681 O ILE A 45 -8.169 -0.855 19.609 1.00 0.00 O ATOM 682 CB ILE A 45 -11.169 -1.865 20.586 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.687 -1.913 20.405 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.829 -1.059 21.842 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.191 -0.544 19.942 1.00 0.00 C ATOM 0 H ILE A 45 -11.891 -2.414 18.259 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.604 -0.121 19.457 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.785 -2.880 20.691 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.952 -2.676 19.673 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.167 -2.190 21.344 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.287 -1.530 22.712 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.747 -1.029 21.973 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.210 -0.043 21.737 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.273 -0.579 19.813 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.939 0.208 20.689 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.721 -0.285 18.993 1.00 0.00 H new ATOM 697 N ARG A 46 -8.798 -2.816 18.841 1.00 0.00 N ATOM 698 CA ARG A 46 -7.385 -3.275 18.731 1.00 0.00 C ATOM 699 C ARG A 46 -6.770 -2.700 17.454 1.00 0.00 C ATOM 700 O ARG A 46 -5.568 -2.567 17.337 1.00 0.00 O ATOM 701 CB ARG A 46 -7.345 -4.803 18.674 1.00 0.00 C ATOM 702 CG ARG A 46 -7.928 -5.379 19.966 1.00 0.00 C ATOM 703 CD ARG A 46 -7.819 -6.905 19.937 1.00 0.00 C ATOM 704 NE ARG A 46 -8.545 -7.477 21.105 1.00 0.00 N ATOM 705 CZ ARG A 46 -7.875 -8.019 22.086 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.756 -7.481 22.487 1.00 0.00 N ATOM 707 NH2 ARG A 46 -8.323 -9.100 22.664 1.00 0.00 N ATOM 0 H ARG A 46 -9.501 -3.497 18.553 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.820 -2.933 19.598 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.914 -5.160 17.815 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.319 -5.146 18.542 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.393 -4.982 20.828 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.971 -5.080 20.072 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.239 -7.293 19.009 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.772 -7.206 19.963 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.564 -7.445 21.139 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.405 -6.637 22.034 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.232 -7.904 23.253 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.197 -9.522 22.349 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.799 -9.523 23.430 1.00 0.00 H new ATOM 721 N GLN A 47 -7.588 -2.360 16.495 1.00 0.00 N ATOM 722 CA GLN A 47 -7.055 -1.796 15.224 1.00 0.00 C ATOM 723 C GLN A 47 -6.181 -2.842 14.533 1.00 0.00 C ATOM 724 O GLN A 47 -5.099 -2.552 14.063 1.00 0.00 O ATOM 725 CB GLN A 47 -6.223 -0.547 15.527 1.00 0.00 C ATOM 726 CG GLN A 47 -7.120 0.517 16.165 1.00 0.00 C ATOM 727 CD GLN A 47 -6.295 1.769 16.468 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.081 1.725 16.473 1.00 0.00 O ATOM 729 NE2 GLN A 47 -6.907 2.893 16.722 1.00 0.00 N ATOM 0 H GLN A 47 -8.603 -2.449 16.538 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.883 -1.526 14.569 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.402 -0.797 16.199 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.778 -0.161 14.610 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.942 0.765 15.493 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.564 0.131 17.083 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.926 2.931 16.718 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.366 3.734 16.925 1.00 0.00 H new ATOM 738 N THR A 48 -6.644 -4.059 14.467 1.00 0.00 N ATOM 739 CA THR A 48 -5.846 -5.129 13.807 1.00 0.00 C ATOM 740 C THR A 48 -6.717 -5.848 12.774 1.00 0.00 C ATOM 741 O THR A 48 -7.929 -5.808 12.834 1.00 0.00 O ATOM 742 CB THR A 48 -5.368 -6.133 14.859 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.433 -7.014 15.188 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.916 -5.387 16.114 1.00 0.00 C ATOM 0 H THR A 48 -7.543 -4.359 14.843 1.00 0.00 H new ATOM 0 HA THR A 48 -4.983 -4.686 13.311 1.00 0.00 H new ATOM 0 HB THR A 48 -4.531 -6.706 14.460 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.171 -7.574 15.948 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.576 -6.104 16.861 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.099 -4.712 15.861 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.750 -4.812 16.516 1.00 0.00 H new ATOM 752 N ASN A 49 -6.109 -6.509 11.827 1.00 0.00 N ATOM 753 CA ASN A 49 -6.903 -7.230 10.794 1.00 0.00 C ATOM 754 C ASN A 49 -7.141 -8.670 11.253 1.00 0.00 C ATOM 755 O ASN A 49 -6.750 -9.614 10.598 1.00 0.00 O ATOM 756 CB ASN A 49 -6.134 -7.236 9.471 1.00 0.00 C ATOM 757 CG ASN A 49 -4.895 -8.123 9.605 1.00 0.00 C ATOM 758 OD1 ASN A 49 -4.510 -8.489 10.698 1.00 0.00 O ATOM 759 ND2 ASN A 49 -4.249 -8.486 8.531 1.00 0.00 N ATOM 0 H ASN A 49 -5.097 -6.580 11.725 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.861 -6.729 10.653 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.773 -7.604 8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.840 -6.221 9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.421 -9.077 8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.572 -8.179 7.613 1.00 0.00 H new ATOM 766 N THR A 50 -7.778 -8.842 12.378 1.00 0.00 N ATOM 767 CA THR A 50 -8.039 -10.219 12.885 1.00 0.00 C ATOM 768 C THR A 50 -9.119 -10.889 12.035 1.00 0.00 C ATOM 769 O THR A 50 -10.078 -10.267 11.626 1.00 0.00 O ATOM 770 CB THR A 50 -8.519 -10.149 14.336 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.495 -9.590 15.146 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.856 -11.559 14.831 1.00 0.00 C ATOM 0 H THR A 50 -8.129 -8.088 12.969 1.00 0.00 H new ATOM 0 HA THR A 50 -7.118 -10.799 12.828 1.00 0.00 H new ATOM 0 HB THR A 50 -9.409 -9.523 14.396 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.362 -8.650 14.902 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.198 -11.510 15.865 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.643 -11.985 14.208 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.967 -12.187 14.773 1.00 0.00 H new ATOM 780 N HIS A 51 -8.973 -12.159 11.780 1.00 0.00 N ATOM 781 CA HIS A 51 -9.994 -12.881 10.972 1.00 0.00 C ATOM 782 C HIS A 51 -10.533 -14.050 11.796 1.00 0.00 C ATOM 783 O HIS A 51 -10.024 -14.358 12.856 1.00 0.00 O ATOM 784 CB HIS A 51 -9.353 -13.413 9.688 1.00 0.00 C ATOM 785 CG HIS A 51 -8.577 -12.311 9.021 1.00 0.00 C ATOM 786 ND1 HIS A 51 -9.181 -11.381 8.193 1.00 0.00 N ATOM 787 CD2 HIS A 51 -7.246 -11.977 9.053 1.00 0.00 C ATOM 788 CE1 HIS A 51 -8.224 -10.537 7.764 1.00 0.00 C ATOM 789 NE2 HIS A 51 -7.025 -10.855 8.258 1.00 0.00 N ATOM 0 H HIS A 51 -8.189 -12.729 12.097 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.806 -12.203 10.710 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.693 -14.249 9.918 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.122 -13.790 9.014 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.486 -12.504 9.610 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.404 -9.704 7.101 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.139 -10.379 8.090 1.00 0.00 H new ATOM 797 N ILE A 52 -11.557 -14.705 11.326 1.00 0.00 N ATOM 798 CA ILE A 52 -12.113 -15.849 12.098 1.00 0.00 C ATOM 799 C ILE A 52 -11.251 -17.089 11.868 1.00 0.00 C ATOM 800 O ILE A 52 -10.999 -17.487 10.748 1.00 0.00 O ATOM 801 CB ILE A 52 -13.541 -16.135 11.641 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.377 -14.859 11.745 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.143 -17.217 12.540 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.833 -15.178 11.405 1.00 0.00 C ATOM 0 H ILE A 52 -12.030 -14.499 10.446 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.116 -15.597 13.158 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.536 -16.476 10.606 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.309 -14.447 12.752 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.990 -14.101 11.064 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.164 -17.428 12.221 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.545 -18.125 12.467 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.150 -16.869 13.573 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.431 -14.270 11.478 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.892 -15.570 10.390 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.215 -15.922 12.104 1.00 0.00 H new ATOM 816 N ARG A 53 -10.803 -17.704 12.924 1.00 0.00 N ATOM 817 CA ARG A 53 -9.960 -18.923 12.785 1.00 0.00 C ATOM 818 C ARG A 53 -10.863 -20.125 12.514 1.00 0.00 C ATOM 819 O ARG A 53 -10.596 -20.941 11.655 1.00 0.00 O ATOM 820 CB ARG A 53 -9.186 -19.151 14.085 1.00 0.00 C ATOM 821 CG ARG A 53 -8.324 -20.406 13.952 1.00 0.00 C ATOM 822 CD ARG A 53 -7.504 -20.600 15.229 1.00 0.00 C ATOM 823 NE ARG A 53 -6.577 -21.753 15.054 1.00 0.00 N ATOM 824 CZ ARG A 53 -7.048 -22.970 15.013 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.957 -23.741 16.061 1.00 0.00 N ATOM 826 NH2 ARG A 53 -7.610 -23.415 13.922 1.00 0.00 N ATOM 0 H ARG A 53 -10.985 -17.413 13.884 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.258 -18.797 11.960 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.558 -18.287 14.303 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.879 -19.260 14.919 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.956 -21.277 13.777 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.661 -20.315 13.092 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.938 -19.695 15.451 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.167 -20.778 16.076 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.574 -21.592 14.966 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.518 -23.393 16.913 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.325 -24.692 16.028 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.681 -22.812 13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.978 -24.366 13.889 1.00 0.00 H new ATOM 840 N SER A 54 -11.935 -20.228 13.244 1.00 0.00 N ATOM 841 CA SER A 54 -12.875 -21.364 13.048 1.00 0.00 C ATOM 842 C SER A 54 -14.230 -20.988 13.647 1.00 0.00 C ATOM 843 O SER A 54 -14.318 -20.156 14.527 1.00 0.00 O ATOM 844 CB SER A 54 -12.335 -22.610 13.753 1.00 0.00 C ATOM 845 OG SER A 54 -12.904 -23.771 13.165 1.00 0.00 O ATOM 0 H SER A 54 -12.203 -19.568 13.974 1.00 0.00 H new ATOM 0 HA SER A 54 -12.981 -21.575 11.984 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.248 -22.644 13.673 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.575 -22.573 14.816 1.00 0.00 H new ATOM 0 HG SER A 54 -12.557 -24.569 13.615 1.00 0.00 H new ATOM 851 N THR A 55 -15.288 -21.589 13.181 1.00 0.00 N ATOM 852 CA THR A 55 -16.628 -21.253 13.733 1.00 0.00 C ATOM 853 C THR A 55 -16.712 -21.731 15.183 1.00 0.00 C ATOM 854 O THR A 55 -16.229 -22.790 15.528 1.00 0.00 O ATOM 855 CB THR A 55 -17.715 -21.937 12.902 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.694 -23.335 13.157 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.460 -21.684 11.416 1.00 0.00 C ATOM 0 H THR A 55 -15.283 -22.295 12.445 1.00 0.00 H new ATOM 0 HA THR A 55 -16.776 -20.174 13.696 1.00 0.00 H new ATOM 0 HB THR A 55 -18.690 -21.532 13.174 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.391 -23.775 12.627 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.235 -22.172 10.826 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.477 -20.612 11.221 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.486 -22.088 11.140 1.00 0.00 H new ATOM 865 N GLY A 56 -17.318 -20.952 16.034 1.00 0.00 N ATOM 866 CA GLY A 56 -17.430 -21.355 17.463 1.00 0.00 C ATOM 867 C GLY A 56 -16.282 -20.727 18.253 1.00 0.00 C ATOM 868 O GLY A 56 -15.349 -20.189 17.692 1.00 0.00 O ATOM 0 H GLY A 56 -17.741 -20.053 15.802 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.388 -21.031 17.871 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.397 -22.441 17.551 1.00 0.00 H new ATOM 872 N LYS A 57 -16.344 -20.792 19.552 1.00 0.00 N ATOM 873 CA LYS A 57 -15.258 -20.200 20.382 1.00 0.00 C ATOM 874 C LYS A 57 -13.973 -21.009 20.192 1.00 0.00 C ATOM 875 O LYS A 57 -14.004 -22.213 20.036 1.00 0.00 O ATOM 876 CB LYS A 57 -15.667 -20.234 21.856 1.00 0.00 C ATOM 877 CG LYS A 57 -16.883 -19.332 22.072 1.00 0.00 C ATOM 878 CD LYS A 57 -17.219 -19.279 23.562 1.00 0.00 C ATOM 879 CE LYS A 57 -18.529 -18.513 23.764 1.00 0.00 C ATOM 880 NZ LYS A 57 -19.678 -19.455 23.656 1.00 0.00 N ATOM 0 H LYS A 57 -17.101 -21.230 20.077 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.088 -19.168 20.075 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.902 -21.256 22.155 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.839 -19.901 22.481 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.676 -18.329 21.699 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.736 -19.712 21.509 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.311 -20.289 23.961 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.413 -18.792 24.110 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.533 -18.029 24.741 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -18.620 -17.724 23.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.568 -18.934 23.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.677 -19.897 22.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -19.592 -20.192 24.385 1.00 0.00 H new ATOM 894 N CYS A 58 -12.843 -20.357 20.205 1.00 0.00 N ATOM 895 CA CYS A 58 -11.557 -21.090 20.027 1.00 0.00 C ATOM 896 C CYS A 58 -11.522 -22.287 20.978 1.00 0.00 C ATOM 897 O CYS A 58 -10.874 -23.281 20.719 1.00 0.00 O ATOM 898 CB CYS A 58 -10.390 -20.155 20.345 1.00 0.00 C ATOM 899 SG CYS A 58 -10.378 -18.783 19.167 1.00 0.00 S ATOM 0 H CYS A 58 -12.754 -19.349 20.331 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.474 -21.438 18.997 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.482 -19.774 21.362 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.448 -20.701 20.293 1.00 0.00 H new ATOM 904 N GLU A 59 -12.214 -22.197 22.081 1.00 0.00 N ATOM 905 CA GLU A 59 -12.221 -23.326 23.051 1.00 0.00 C ATOM 906 C GLU A 59 -13.272 -24.355 22.629 1.00 0.00 C ATOM 907 O GLU A 59 -13.177 -25.521 22.951 1.00 0.00 O ATOM 908 CB GLU A 59 -12.558 -22.797 24.447 1.00 0.00 C ATOM 909 CG GLU A 59 -12.542 -23.954 25.447 1.00 0.00 C ATOM 910 CD GLU A 59 -13.062 -23.462 26.800 1.00 0.00 C ATOM 911 OE1 GLU A 59 -13.467 -22.314 26.876 1.00 0.00 O ATOM 912 OE2 GLU A 59 -13.048 -24.244 27.738 1.00 0.00 O ATOM 0 H GLU A 59 -12.775 -21.389 22.352 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.238 -23.796 23.068 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.836 -22.036 24.743 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.539 -22.321 24.441 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.162 -24.773 25.083 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.530 -24.343 25.554 1.00 0.00 H new ATOM 919 N GLU A 60 -14.276 -23.931 21.911 1.00 0.00 N ATOM 920 CA GLU A 60 -15.332 -24.886 21.471 1.00 0.00 C ATOM 921 C GLU A 60 -14.731 -25.891 20.486 1.00 0.00 C ATOM 922 O GLU A 60 -15.161 -27.024 20.400 1.00 0.00 O ATOM 923 CB GLU A 60 -16.464 -24.116 20.787 1.00 0.00 C ATOM 924 CG GLU A 60 -17.396 -25.102 20.082 1.00 0.00 C ATOM 925 CD GLU A 60 -18.524 -24.334 19.389 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.413 -23.122 19.289 1.00 0.00 O ATOM 927 OE2 GLU A 60 -19.477 -24.969 18.971 1.00 0.00 O ATOM 0 H GLU A 60 -14.411 -22.966 21.610 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.726 -25.417 22.338 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.020 -23.536 21.523 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.054 -23.408 20.067 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.838 -25.687 19.351 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.811 -25.806 20.804 1.00 0.00 H new ATOM 934 N SER A 61 -13.741 -25.484 19.739 1.00 0.00 N ATOM 935 CA SER A 61 -13.114 -26.414 18.757 1.00 0.00 C ATOM 936 C SER A 61 -12.467 -27.587 19.496 1.00 0.00 C ATOM 937 O SER A 61 -12.500 -28.713 19.040 1.00 0.00 O ATOM 938 CB SER A 61 -12.046 -25.663 17.959 1.00 0.00 C ATOM 939 OG SER A 61 -12.621 -24.506 17.368 1.00 0.00 O ATOM 0 H SER A 61 -13.339 -24.547 19.766 1.00 0.00 H new ATOM 0 HA SER A 61 -13.879 -26.794 18.080 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.222 -25.379 18.613 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.632 -26.311 17.187 1.00 0.00 H new ATOM 0 HG SER A 61 -11.936 -24.024 16.858 1.00 0.00 H new ATOM 945 N SER A 62 -11.874 -27.335 20.631 1.00 0.00 N ATOM 946 CA SER A 62 -11.222 -28.440 21.391 1.00 0.00 C ATOM 947 C SER A 62 -11.936 -28.636 22.730 1.00 0.00 C ATOM 948 O SER A 62 -12.443 -27.701 23.318 1.00 0.00 O ATOM 949 CB SER A 62 -9.755 -28.088 21.643 1.00 0.00 C ATOM 950 OG SER A 62 -9.104 -27.861 20.403 1.00 0.00 O ATOM 0 H SER A 62 -11.813 -26.414 21.065 1.00 0.00 H new ATOM 0 HA SER A 62 -11.282 -29.361 20.812 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.686 -27.199 22.270 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.263 -28.898 22.182 1.00 0.00 H new ATOM 0 HG SER A 62 -8.164 -27.634 20.564 1.00 0.00 H new ATOM 956 N THR A 63 -11.976 -29.845 23.220 1.00 0.00 N ATOM 957 CA THR A 63 -12.653 -30.100 24.522 1.00 0.00 C ATOM 958 C THR A 63 -11.892 -29.382 25.640 1.00 0.00 C ATOM 959 O THR A 63 -10.730 -29.059 25.501 1.00 0.00 O ATOM 960 CB THR A 63 -12.670 -31.605 24.803 1.00 0.00 C ATOM 961 OG1 THR A 63 -11.692 -32.245 23.995 1.00 0.00 O ATOM 962 CG2 THR A 63 -14.052 -32.171 24.479 1.00 0.00 C ATOM 0 H THR A 63 -11.569 -30.667 22.774 1.00 0.00 H new ATOM 0 HA THR A 63 -13.676 -29.727 24.479 1.00 0.00 H new ATOM 0 HB THR A 63 -12.446 -31.782 25.855 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.699 -33.208 24.174 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.063 -33.242 24.679 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.801 -31.678 25.099 1.00 0.00 H new ATOM 0 HG23 THR A 63 -14.279 -31.996 23.427 1.00 0.00 H new ATOM 970 N PRO A 64 -12.569 -29.127 26.769 1.00 0.00 N ATOM 971 CA PRO A 64 -11.962 -28.445 27.919 1.00 0.00 C ATOM 972 C PRO A 64 -10.916 -29.323 28.613 1.00 0.00 C ATOM 973 O PRO A 64 -10.056 -28.839 29.321 1.00 0.00 O ATOM 974 CB PRO A 64 -13.145 -28.200 28.857 1.00 0.00 C ATOM 975 CG PRO A 64 -14.137 -29.253 28.491 1.00 0.00 C ATOM 976 CD PRO A 64 -13.976 -29.485 27.015 1.00 0.00 C ATOM 0 HA PRO A 64 -11.439 -27.535 27.625 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.846 -28.282 29.902 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.559 -27.201 28.721 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -13.956 -30.170 29.051 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.151 -28.931 28.726 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.181 -30.521 26.746 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.657 -28.864 26.433 1.00 0.00 H new ATOM 984 N GLY A 65 -10.981 -30.611 28.411 1.00 0.00 N ATOM 985 CA GLY A 65 -9.990 -31.517 29.058 1.00 0.00 C ATOM 986 C GLY A 65 -10.528 -31.985 30.412 1.00 0.00 C ATOM 987 O GLY A 65 -9.833 -32.619 31.180 1.00 0.00 O ATOM 0 H GLY A 65 -11.677 -31.074 27.827 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.795 -32.376 28.416 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.041 -30.998 29.192 1.00 0.00 H new ATOM 991 N THR A 66 -11.761 -31.677 30.710 1.00 0.00 N ATOM 992 CA THR A 66 -12.338 -32.106 32.015 1.00 0.00 C ATOM 993 C THR A 66 -12.499 -33.627 32.027 1.00 0.00 C ATOM 994 O THR A 66 -12.553 -34.248 33.070 1.00 0.00 O ATOM 995 CB THR A 66 -13.707 -31.447 32.210 1.00 0.00 C ATOM 996 OG1 THR A 66 -14.599 -31.909 31.206 1.00 0.00 O ATOM 997 CG2 THR A 66 -13.562 -29.928 32.109 1.00 0.00 C ATOM 0 H THR A 66 -12.392 -31.148 30.108 1.00 0.00 H new ATOM 0 HA THR A 66 -11.671 -31.805 32.823 1.00 0.00 H new ATOM 0 HB THR A 66 -14.101 -31.707 33.193 1.00 0.00 H new ATOM 0 HG1 THR A 66 -15.476 -31.490 31.330 1.00 0.00 H new ATOM 0 HG21 THR A 66 -14.536 -29.459 32.248 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.877 -29.576 32.880 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.169 -29.664 31.127 1.00 0.00 H new ATOM 1005 N THR A 67 -12.575 -34.234 30.874 1.00 0.00 N ATOM 1006 CA THR A 67 -12.730 -35.715 30.820 1.00 0.00 C ATOM 1007 C THR A 67 -11.435 -36.382 31.286 1.00 0.00 C ATOM 1008 O THR A 67 -11.431 -37.517 31.719 1.00 0.00 O ATOM 1009 CB THR A 67 -13.035 -36.143 29.382 1.00 0.00 C ATOM 1010 OG1 THR A 67 -11.917 -35.852 28.556 1.00 0.00 O ATOM 1011 CG2 THR A 67 -14.261 -35.384 28.871 1.00 0.00 C ATOM 0 H THR A 67 -12.536 -33.768 29.967 1.00 0.00 H new ATOM 0 HA THR A 67 -13.549 -36.018 31.472 1.00 0.00 H new ATOM 0 HB THR A 67 -13.237 -37.214 29.356 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.110 -36.127 27.635 1.00 0.00 H new ATOM 0 HG21 THR A 67 -14.477 -35.689 27.847 1.00 0.00 H new ATOM 0 HG22 THR A 67 -15.118 -35.608 29.505 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.062 -34.313 28.896 1.00 0.00 H new ATOM 1019 N ALA A 68 -10.334 -35.685 31.202 1.00 0.00 N ATOM 1020 CA ALA A 68 -9.040 -36.280 31.640 1.00 0.00 C ATOM 1021 C ALA A 68 -9.109 -36.608 33.133 1.00 0.00 C ATOM 1022 O ALA A 68 -8.514 -37.561 33.597 1.00 0.00 O ATOM 1023 CB ALA A 68 -7.910 -35.280 31.390 1.00 0.00 C ATOM 0 H ALA A 68 -10.275 -34.730 30.849 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.850 -37.193 31.076 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.963 -35.714 31.710 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.861 -35.045 30.327 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.100 -34.367 31.955 1.00 0.00 H new ATOM 1029 N ALA A 69 -9.831 -35.827 33.889 1.00 0.00 N ATOM 1030 CA ALA A 69 -9.937 -36.096 35.351 1.00 0.00 C ATOM 1031 C ALA A 69 -10.672 -37.420 35.574 1.00 0.00 C ATOM 1032 O ALA A 69 -10.476 -38.089 36.569 1.00 0.00 O ATOM 1033 CB ALA A 69 -10.714 -34.962 36.023 1.00 0.00 C ATOM 0 H ALA A 69 -10.352 -35.015 33.558 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.938 -36.158 35.783 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.792 -35.158 37.092 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.191 -34.019 35.864 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.713 -34.900 35.592 1.00 0.00 H new ATOM 1039 N SER A 70 -11.517 -37.801 34.656 1.00 0.00 N ATOM 1040 CA SER A 70 -12.263 -39.081 34.816 1.00 0.00 C ATOM 1041 C SER A 70 -11.292 -40.257 34.700 1.00 0.00 C ATOM 1042 O SER A 70 -11.512 -41.314 35.257 1.00 0.00 O ATOM 1043 CB SER A 70 -13.329 -39.189 33.725 1.00 0.00 C ATOM 1044 OG SER A 70 -12.700 -39.351 32.463 1.00 0.00 O ATOM 0 H SER A 70 -11.723 -37.282 33.803 1.00 0.00 H new ATOM 0 HA SER A 70 -12.742 -39.102 35.795 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.987 -40.035 33.927 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.952 -38.295 33.721 1.00 0.00 H new ATOM 0 HG SER A 70 -11.907 -38.777 32.417 1.00 0.00 H new ATOM 1050 N MET A 71 -10.217 -40.082 33.979 1.00 0.00 N ATOM 1051 CA MET A 71 -9.234 -41.191 33.829 1.00 0.00 C ATOM 1052 C MET A 71 -8.816 -41.693 35.212 1.00 0.00 C ATOM 1053 O MET A 71 -8.998 -42.848 35.545 1.00 0.00 O ATOM 1054 CB MET A 71 -8.002 -40.683 33.077 1.00 0.00 C ATOM 1055 CG MET A 71 -7.803 -41.511 31.806 1.00 0.00 C ATOM 1056 SD MET A 71 -6.034 -41.769 31.525 1.00 0.00 S ATOM 1057 CE MET A 71 -6.120 -43.537 31.145 1.00 0.00 C ATOM 0 H MET A 71 -9.978 -39.220 33.489 1.00 0.00 H new ATOM 0 HA MET A 71 -9.690 -42.007 33.269 1.00 0.00 H new ATOM 0 HB2 MET A 71 -8.127 -39.630 32.822 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.119 -40.755 33.713 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.311 -42.471 31.901 1.00 0.00 H new ATOM 0 HG3 MET A 71 -8.247 -40.999 30.952 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.119 -43.913 30.935 1.00 0.00 H new ATOM 0 HE2 MET A 71 -6.537 -44.073 31.998 1.00 0.00 H new ATOM 0 HE3 MET A 71 -6.756 -43.691 30.273 1.00 0.00 H new ATOM 1067 N PRO A 72 -8.244 -40.800 36.033 1.00 0.00 N ATOM 1068 CA PRO A 72 -7.797 -41.143 37.388 1.00 0.00 C ATOM 1069 C PRO A 72 -8.978 -41.402 38.328 1.00 0.00 C ATOM 1070 O PRO A 72 -10.049 -40.854 38.159 1.00 0.00 O ATOM 1071 CB PRO A 72 -7.034 -39.898 37.839 1.00 0.00 C ATOM 1072 CG PRO A 72 -7.615 -38.788 37.029 1.00 0.00 C ATOM 1073 CD PRO A 72 -7.990 -39.387 35.704 1.00 0.00 C ATOM 0 HA PRO A 72 -7.199 -42.054 37.403 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.162 -39.719 38.907 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.964 -40.002 37.660 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.487 -38.361 37.524 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.894 -37.981 36.901 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.872 -38.907 35.281 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.188 -39.282 34.973 1.00 0.00 H new ATOM 1081 N PRO A 73 -8.773 -42.261 39.337 1.00 0.00 N ATOM 1082 CA PRO A 73 -9.817 -42.604 40.312 1.00 0.00 C ATOM 1083 C PRO A 73 -10.146 -41.424 41.231 1.00 0.00 C ATOM 1084 O PRO A 73 -11.217 -41.350 41.801 1.00 0.00 O ATOM 1085 CB PRO A 73 -9.192 -43.740 41.120 1.00 0.00 C ATOM 1086 CG PRO A 73 -7.722 -43.533 40.983 1.00 0.00 C ATOM 1087 CD PRO A 73 -7.508 -42.964 39.609 1.00 0.00 C ATOM 0 HA PRO A 73 -10.756 -42.874 39.829 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.502 -43.701 42.164 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.493 -44.714 40.734 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.351 -42.852 41.749 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.183 -44.473 41.104 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.656 -42.285 39.582 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.316 -43.746 38.874 1.00 0.00 H new ATOM 1095 N SER A 74 -9.234 -40.503 41.381 1.00 0.00 N ATOM 1096 CA SER A 74 -9.496 -39.331 42.263 1.00 0.00 C ATOM 1097 C SER A 74 -9.184 -38.041 41.502 1.00 0.00 C ATOM 1098 O SER A 74 -8.244 -37.974 40.735 1.00 0.00 O ATOM 1099 CB SER A 74 -8.607 -39.419 43.505 1.00 0.00 C ATOM 1100 OG SER A 74 -8.886 -40.624 44.202 1.00 0.00 O ATOM 0 H SER A 74 -8.319 -40.512 40.931 1.00 0.00 H new ATOM 0 HA SER A 74 -10.543 -39.330 42.565 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.556 -39.388 43.216 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.785 -38.561 44.154 1.00 0.00 H new ATOM 0 HG SER A 74 -8.316 -40.682 44.997 1.00 0.00 H new ATOM 1106 N ASP A 75 -9.966 -37.017 41.707 1.00 0.00 N ATOM 1107 CA ASP A 75 -9.713 -35.732 40.995 1.00 0.00 C ATOM 1108 C ASP A 75 -8.308 -35.229 41.331 1.00 0.00 C ATOM 1109 O ASP A 75 -7.623 -34.669 40.500 1.00 0.00 O ATOM 1110 CB ASP A 75 -10.746 -34.693 41.436 1.00 0.00 C ATOM 1111 CG ASP A 75 -12.134 -35.119 40.955 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -12.206 -36.029 40.146 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -13.103 -34.527 41.404 1.00 0.00 O ATOM 0 H ASP A 75 -10.769 -37.014 42.336 1.00 0.00 H new ATOM 0 HA ASP A 75 -9.793 -35.891 39.920 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -10.739 -34.596 42.522 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.492 -33.715 41.027 1.00 0.00 H new ATOM 1118 N GLU A 76 -7.874 -35.425 42.547 1.00 0.00 N ATOM 1119 CA GLU A 76 -6.514 -34.958 42.935 1.00 0.00 C ATOM 1120 C GLU A 76 -5.948 -35.877 44.020 1.00 0.00 C ATOM 1121 O GLU A 76 -6.262 -35.657 45.178 1.00 0.00 O ATOM 1122 CB GLU A 76 -6.600 -33.527 43.473 1.00 0.00 C ATOM 1123 CG GLU A 76 -5.190 -32.994 43.734 1.00 0.00 C ATOM 1124 CD GLU A 76 -5.279 -31.603 44.366 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -6.389 -31.143 44.583 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -4.238 -31.023 44.623 1.00 0.00 O ATOM 1127 OXT GLU A 76 -5.213 -36.787 43.674 1.00 0.00 O ATOM 0 H GLU A 76 -8.402 -35.888 43.287 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.860 -34.980 42.063 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.115 -32.888 42.756 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.184 -33.508 44.393 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.650 -33.672 44.395 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.629 -32.946 42.800 1.00 0.00 H new TER 1134 GLU A 76