USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 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 43 ASN : amide:sc= -4.23 K(o=-5.2,f=-7.4!) USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= -0.973 USER MOD Set 2.1: A 31 GLN : amide:sc= 1.38 K(o=1.6,f=-8.6!) USER MOD Set 2.2: A 33 TYR OH : rot -61:sc= 0.204 USER MOD Set 3.1: A 2 SER OG : rot 148:sc= 0.0721 USER MOD Set 3.2: A 51 HIS : no HD1:sc= -4.06! X(o=-4!,f=-3.7) USER MOD Single : A 1 ASP N :NH3+ -178:sc= 0.48 (180deg=0.379) USER MOD Single : A 4 MET CE :methyl -157:sc= -0.653 (180deg=-2.64!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 110:sc= -4.67! USER MOD Single : A 16 TYR OH : rot -158:sc= -0.768 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.8) USER MOD Single : A 35 ASN : amide:sc= -6.38! C(o=-6.4!,f=-18!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -2.05 K(o=-2,f=-5.9!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00533 K(o=-0.0053,f=-1.5!) USER MOD Single : A 54 SER OG : rot 9:sc= 0.494 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 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 -94:sc= 1.27 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 -15.570 -12.207 8.520 1.00 0.00 N ATOM 2 CA ASP A 1 -14.091 -12.033 8.477 1.00 0.00 C ATOM 3 C ASP A 1 -13.761 -10.577 8.146 1.00 0.00 C ATOM 4 O ASP A 1 -14.628 -9.726 8.110 1.00 0.00 O ATOM 5 CB ASP A 1 -13.499 -12.949 7.404 1.00 0.00 C ATOM 6 CG ASP A 1 -13.866 -14.402 7.715 1.00 0.00 C ATOM 7 OD1 ASP A 1 -14.412 -14.638 8.780 1.00 0.00 O ATOM 8 OD2 ASP A 1 -13.595 -15.252 6.884 1.00 0.00 O ATOM 0 H1 ASP A 1 -15.797 -13.189 8.778 1.00 0.00 H new ATOM 0 H2 ASP A 1 -15.975 -11.561 9.227 1.00 0.00 H new ATOM 0 H3 ASP A 1 -15.972 -11.994 7.585 1.00 0.00 H new ATOM 0 HA ASP A 1 -13.666 -12.291 9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.879 -12.669 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -12.415 -12.835 7.371 1.00 0.00 H new ATOM 15 N SER A 2 -12.513 -10.282 7.907 1.00 0.00 N ATOM 16 CA SER A 2 -12.128 -8.879 7.581 1.00 0.00 C ATOM 17 C SER A 2 -12.836 -8.436 6.298 1.00 0.00 C ATOM 18 O SER A 2 -13.039 -7.261 6.068 1.00 0.00 O ATOM 19 CB SER A 2 -10.615 -8.798 7.379 1.00 0.00 C ATOM 20 OG SER A 2 -9.981 -8.600 8.634 1.00 0.00 O ATOM 0 H SER A 2 -11.743 -10.951 7.923 1.00 0.00 H new ATOM 0 HA SER A 2 -12.422 -8.225 8.402 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.250 -9.714 6.915 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.371 -7.979 6.703 1.00 0.00 H new ATOM 0 HG SER A 2 -9.102 -9.034 8.629 1.00 0.00 H new ATOM 26 N GLU A 3 -13.213 -9.364 5.461 1.00 0.00 N ATOM 27 CA GLU A 3 -13.907 -8.979 4.200 1.00 0.00 C ATOM 28 C GLU A 3 -15.096 -8.085 4.544 1.00 0.00 C ATOM 29 O GLU A 3 -15.561 -7.310 3.732 1.00 0.00 O ATOM 30 CB GLU A 3 -14.396 -10.234 3.474 1.00 0.00 C ATOM 31 CG GLU A 3 -13.614 -10.402 2.168 1.00 0.00 C ATOM 32 CD GLU A 3 -14.383 -11.333 1.228 1.00 0.00 C ATOM 33 OE1 GLU A 3 -14.674 -12.445 1.636 1.00 0.00 O ATOM 34 OE2 GLU A 3 -14.669 -10.916 0.117 1.00 0.00 O ATOM 0 H GLU A 3 -13.072 -10.365 5.595 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.217 -8.441 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.260 -11.110 4.108 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.463 -10.154 3.265 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.465 -9.432 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.625 -10.812 2.374 1.00 0.00 H new ATOM 41 N MET A 4 -15.583 -8.178 5.751 1.00 0.00 N ATOM 42 CA MET A 4 -16.733 -7.324 6.158 1.00 0.00 C ATOM 43 C MET A 4 -16.212 -5.931 6.514 1.00 0.00 C ATOM 44 O MET A 4 -16.860 -4.933 6.276 1.00 0.00 O ATOM 45 CB MET A 4 -17.427 -7.939 7.376 1.00 0.00 C ATOM 46 CG MET A 4 -17.692 -9.424 7.117 1.00 0.00 C ATOM 47 SD MET A 4 -18.816 -9.599 5.709 1.00 0.00 S ATOM 48 CE MET A 4 -20.094 -8.461 6.299 1.00 0.00 C ATOM 0 H MET A 4 -15.234 -8.809 6.473 1.00 0.00 H new ATOM 0 HA MET A 4 -17.449 -7.254 5.339 1.00 0.00 H new ATOM 0 HB2 MET A 4 -16.804 -7.819 8.262 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.365 -7.420 7.574 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.755 -9.942 6.914 1.00 0.00 H new ATOM 0 HG3 MET A 4 -18.127 -9.887 8.003 1.00 0.00 H new ATOM 0 HE1 MET A 4 -21.044 -8.703 5.823 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.195 -8.556 7.380 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.813 -7.438 6.049 1.00 0.00 H new ATOM 58 N CYS A 5 -15.037 -5.862 7.080 1.00 0.00 N ATOM 59 CA CYS A 5 -14.461 -4.539 7.448 1.00 0.00 C ATOM 60 C CYS A 5 -13.786 -3.919 6.221 1.00 0.00 C ATOM 61 O CYS A 5 -13.253 -2.829 6.279 1.00 0.00 O ATOM 62 CB CYS A 5 -13.426 -4.724 8.559 1.00 0.00 C ATOM 63 SG CYS A 5 -14.033 -5.930 9.757 1.00 0.00 S ATOM 0 H CYS A 5 -14.451 -6.667 7.303 1.00 0.00 H new ATOM 0 HA CYS A 5 -15.256 -3.881 7.798 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -12.480 -5.061 8.136 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -13.233 -3.771 9.053 1.00 0.00 H new ATOM 68 N LYS A 6 -13.799 -4.609 5.111 1.00 0.00 N ATOM 69 CA LYS A 6 -13.155 -4.060 3.885 1.00 0.00 C ATOM 70 C LYS A 6 -13.952 -2.857 3.382 1.00 0.00 C ATOM 71 O LYS A 6 -13.448 -2.027 2.653 1.00 0.00 O ATOM 72 CB LYS A 6 -13.131 -5.138 2.799 1.00 0.00 C ATOM 73 CG LYS A 6 -12.030 -6.151 3.114 1.00 0.00 C ATOM 74 CD LYS A 6 -11.722 -6.973 1.861 1.00 0.00 C ATOM 75 CE LYS A 6 -10.766 -8.112 2.220 1.00 0.00 C ATOM 76 NZ LYS A 6 -9.412 -7.816 1.673 1.00 0.00 N ATOM 0 H LYS A 6 -14.228 -5.528 5.002 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.137 -3.750 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.098 -5.639 2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.955 -4.684 1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.132 -5.635 3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.346 -6.808 3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.644 -7.376 1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.276 -6.337 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.715 -8.230 3.302 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.136 -9.053 1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.762 -8.590 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.468 -7.724 0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.060 -6.927 2.081 1.00 0.00 H new ATOM 90 N ASP A 7 -15.193 -2.759 3.763 1.00 0.00 N ATOM 91 CA ASP A 7 -16.023 -1.611 3.305 1.00 0.00 C ATOM 92 C ASP A 7 -17.082 -1.287 4.361 1.00 0.00 C ATOM 93 O ASP A 7 -18.267 -1.330 4.100 1.00 0.00 O ATOM 94 CB ASP A 7 -16.715 -1.978 1.989 1.00 0.00 C ATOM 95 CG ASP A 7 -15.694 -1.945 0.850 1.00 0.00 C ATOM 96 OD1 ASP A 7 -14.925 -1.000 0.796 1.00 0.00 O ATOM 97 OD2 ASP A 7 -15.699 -2.868 0.051 1.00 0.00 O ATOM 0 H ASP A 7 -15.670 -3.424 4.372 1.00 0.00 H new ATOM 0 HA ASP A 7 -15.384 -0.741 3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -17.160 -2.970 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -17.526 -1.279 1.785 1.00 0.00 H new ATOM 102 N TYR A 8 -16.664 -0.960 5.555 1.00 0.00 N ATOM 103 CA TYR A 8 -17.652 -0.633 6.621 1.00 0.00 C ATOM 104 C TYR A 8 -17.342 0.754 7.191 1.00 0.00 C ATOM 105 O TYR A 8 -16.343 1.362 6.863 1.00 0.00 O ATOM 106 CB TYR A 8 -17.577 -1.688 7.734 1.00 0.00 C ATOM 107 CG TYR A 8 -16.395 -1.409 8.636 1.00 0.00 C ATOM 108 CD1 TYR A 8 -15.092 -1.572 8.154 1.00 0.00 C ATOM 109 CD2 TYR A 8 -16.605 -0.985 9.956 1.00 0.00 C ATOM 110 CE1 TYR A 8 -13.998 -1.313 8.988 1.00 0.00 C ATOM 111 CE2 TYR A 8 -15.511 -0.726 10.790 1.00 0.00 C ATOM 112 CZ TYR A 8 -14.208 -0.890 10.305 1.00 0.00 C ATOM 113 OH TYR A 8 -13.129 -0.634 11.128 1.00 0.00 O ATOM 0 H TYR A 8 -15.685 -0.906 5.836 1.00 0.00 H new ATOM 0 HA TYR A 8 -18.658 -0.632 6.201 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -18.498 -1.680 8.316 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -17.485 -2.682 7.297 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.930 -1.898 7.137 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.611 -0.858 10.329 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.992 -1.440 8.615 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.672 -0.400 11.807 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.064 0.330 11.292 1.00 0.00 H new ATOM 123 N ARG A 9 -18.191 1.257 8.044 1.00 0.00 N ATOM 124 CA ARG A 9 -17.944 2.601 8.635 1.00 0.00 C ATOM 125 C ARG A 9 -18.680 2.711 9.971 1.00 0.00 C ATOM 126 O ARG A 9 -19.766 2.194 10.136 1.00 0.00 O ATOM 127 CB ARG A 9 -18.455 3.682 7.681 1.00 0.00 C ATOM 128 CG ARG A 9 -19.983 3.631 7.623 1.00 0.00 C ATOM 129 CD ARG A 9 -20.487 4.642 6.592 1.00 0.00 C ATOM 130 NE ARG A 9 -21.977 4.632 6.574 1.00 0.00 N ATOM 131 CZ ARG A 9 -22.614 4.165 5.535 1.00 0.00 C ATOM 132 NH1 ARG A 9 -22.300 2.995 5.050 1.00 0.00 N ATOM 133 NH2 ARG A 9 -23.562 4.869 4.980 1.00 0.00 N ATOM 0 H ARG A 9 -19.045 0.795 8.357 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.874 2.736 8.795 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.126 4.665 8.018 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.037 3.530 6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -20.314 2.627 7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -20.403 3.855 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -20.122 5.640 6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -20.099 4.394 5.604 1.00 0.00 H new ATOM 0 HE ARG A 9 -22.499 4.990 7.374 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -21.557 2.446 5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -22.797 2.629 4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -23.805 5.785 5.358 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -24.060 4.504 4.168 1.00 0.00 H new ATOM 147 N VAL A 10 -18.096 3.380 10.925 1.00 0.00 N ATOM 148 CA VAL A 10 -18.760 3.522 12.250 1.00 0.00 C ATOM 149 C VAL A 10 -18.755 4.994 12.665 1.00 0.00 C ATOM 150 O VAL A 10 -17.774 5.692 12.499 1.00 0.00 O ATOM 151 CB VAL A 10 -18.003 2.692 13.289 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.695 2.821 14.646 1.00 0.00 C ATOM 153 CG2 VAL A 10 -17.994 1.225 12.860 1.00 0.00 C ATOM 0 H VAL A 10 -17.187 3.835 10.844 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.789 3.168 12.184 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.978 3.055 13.367 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.156 2.230 15.387 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.703 3.867 14.952 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.720 2.458 14.568 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.455 0.633 13.600 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.019 0.862 12.782 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.502 1.132 11.892 1.00 0.00 H new ATOM 163 N LEU A 11 -19.844 5.474 13.201 1.00 0.00 N ATOM 164 CA LEU A 11 -19.899 6.901 13.622 1.00 0.00 C ATOM 165 C LEU A 11 -20.161 6.980 15.127 1.00 0.00 C ATOM 166 O LEU A 11 -20.395 5.981 15.778 1.00 0.00 O ATOM 167 CB LEU A 11 -21.027 7.608 12.869 1.00 0.00 C ATOM 168 CG LEU A 11 -20.430 8.542 11.816 1.00 0.00 C ATOM 169 CD1 LEU A 11 -19.961 7.720 10.614 1.00 0.00 C ATOM 170 CD2 LEU A 11 -21.492 9.547 11.363 1.00 0.00 C ATOM 0 H LEU A 11 -20.697 4.939 13.365 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.949 7.385 13.395 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.677 6.874 12.393 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.644 8.175 13.566 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.583 9.078 12.244 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.535 8.385 9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -19.205 7.004 10.936 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.809 7.185 10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -21.066 10.213 10.612 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.340 9.012 10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -21.827 10.133 12.219 1.00 0.00 H new ATOM 182 N PRO A 12 -20.124 8.199 15.685 1.00 0.00 N ATOM 183 CA PRO A 12 -20.360 8.421 17.117 1.00 0.00 C ATOM 184 C PRO A 12 -21.815 8.139 17.502 1.00 0.00 C ATOM 185 O PRO A 12 -22.117 7.820 18.635 1.00 0.00 O ATOM 186 CB PRO A 12 -20.043 9.905 17.306 1.00 0.00 C ATOM 187 CG PRO A 12 -20.259 10.506 15.958 1.00 0.00 C ATOM 188 CD PRO A 12 -19.850 9.454 14.967 1.00 0.00 C ATOM 0 HA PRO A 12 -19.756 7.762 17.740 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -20.695 10.359 18.052 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.018 10.052 17.647 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -21.303 10.789 15.819 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -19.665 11.411 15.834 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.425 9.524 14.043 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -18.798 9.542 14.696 1.00 0.00 H new ATOM 196 N ARG A 13 -22.716 8.248 16.565 1.00 0.00 N ATOM 197 CA ARG A 13 -24.148 7.979 16.875 1.00 0.00 C ATOM 198 C ARG A 13 -24.567 6.661 16.225 1.00 0.00 C ATOM 199 O ARG A 13 -25.487 6.002 16.669 1.00 0.00 O ATOM 200 CB ARG A 13 -25.014 9.113 16.324 1.00 0.00 C ATOM 201 CG ARG A 13 -24.721 10.404 17.091 1.00 0.00 C ATOM 202 CD ARG A 13 -25.615 11.524 16.557 1.00 0.00 C ATOM 203 NE ARG A 13 -25.236 12.813 17.200 1.00 0.00 N ATOM 204 CZ ARG A 13 -26.145 13.538 17.792 1.00 0.00 C ATOM 205 NH1 ARG A 13 -26.210 13.564 19.095 1.00 0.00 N ATOM 206 NH2 ARG A 13 -26.989 14.236 17.081 1.00 0.00 N ATOM 0 H ARG A 13 -22.523 8.512 15.599 1.00 0.00 H new ATOM 0 HA ARG A 13 -24.279 7.914 17.955 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -24.812 9.255 15.262 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -26.069 8.855 16.416 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -24.901 10.256 18.156 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -23.672 10.676 16.979 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -25.512 11.601 15.475 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -26.661 11.297 16.762 1.00 0.00 H new ATOM 0 HE ARG A 13 -24.266 13.129 17.178 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -25.551 13.018 19.650 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -26.920 14.130 19.559 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -26.938 14.215 16.063 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -27.700 14.803 17.544 1.00 0.00 H new ATOM 220 N ILE A 14 -23.900 6.270 15.173 1.00 0.00 N ATOM 221 CA ILE A 14 -24.261 4.995 14.494 1.00 0.00 C ATOM 222 C ILE A 14 -23.547 3.830 15.182 1.00 0.00 C ATOM 223 O ILE A 14 -24.131 2.796 15.439 1.00 0.00 O ATOM 224 CB ILE A 14 -23.835 5.060 13.026 1.00 0.00 C ATOM 225 CG1 ILE A 14 -24.577 6.201 12.327 1.00 0.00 C ATOM 226 CG2 ILE A 14 -24.174 3.736 12.339 1.00 0.00 C ATOM 227 CD1 ILE A 14 -26.078 6.077 12.599 1.00 0.00 C ATOM 0 H ILE A 14 -23.121 6.779 14.755 1.00 0.00 H new ATOM 0 HA ILE A 14 -25.339 4.845 14.553 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.761 5.237 12.968 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -24.210 7.162 12.687 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -24.387 6.169 11.254 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.871 3.781 11.293 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.645 2.923 12.835 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -25.248 3.560 12.398 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -26.606 6.890 12.101 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -26.439 5.122 12.218 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -26.259 6.131 13.673 1.00 0.00 H new ATOM 239 N GLY A 15 -22.286 3.988 15.481 1.00 0.00 N ATOM 240 CA GLY A 15 -21.537 2.888 16.149 1.00 0.00 C ATOM 241 C GLY A 15 -21.355 1.731 15.165 1.00 0.00 C ATOM 242 O GLY A 15 -21.188 1.934 13.979 1.00 0.00 O ATOM 0 H GLY A 15 -21.743 4.831 15.291 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.566 3.248 16.489 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.078 2.548 17.032 1.00 0.00 H new ATOM 246 N TYR A 16 -21.391 0.518 15.644 1.00 0.00 N ATOM 247 CA TYR A 16 -21.224 -0.645 14.729 1.00 0.00 C ATOM 248 C TYR A 16 -22.583 -1.305 14.492 1.00 0.00 C ATOM 249 O TYR A 16 -23.490 -1.186 15.292 1.00 0.00 O ATOM 250 CB TYR A 16 -20.263 -1.658 15.355 1.00 0.00 C ATOM 251 CG TYR A 16 -19.394 -2.251 14.272 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.890 -3.278 13.462 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.094 -1.769 14.075 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.088 -3.824 12.453 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.292 -2.313 13.065 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.789 -3.342 12.255 1.00 0.00 C ATOM 257 OH TYR A 16 -17.001 -3.878 11.258 1.00 0.00 O ATOM 0 H TYR A 16 -21.528 0.283 16.627 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.816 -0.303 13.778 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.644 -1.172 16.110 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.823 -2.445 15.860 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.892 -3.650 13.615 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.710 -0.978 14.702 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.471 -4.617 11.828 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.291 -1.940 12.910 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.057 -3.707 11.459 1.00 0.00 H new ATOM 267 N LEU A 17 -22.733 -1.998 13.396 1.00 0.00 N ATOM 268 CA LEU A 17 -24.035 -2.662 13.107 1.00 0.00 C ATOM 269 C LEU A 17 -23.829 -4.175 13.006 1.00 0.00 C ATOM 270 O LEU A 17 -23.185 -4.664 12.099 1.00 0.00 O ATOM 271 CB LEU A 17 -24.593 -2.131 11.785 1.00 0.00 C ATOM 272 CG LEU A 17 -26.085 -2.457 11.690 1.00 0.00 C ATOM 273 CD1 LEU A 17 -26.269 -3.971 11.570 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.801 -1.954 12.945 1.00 0.00 C ATOM 0 H LEU A 17 -22.010 -2.133 12.689 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.739 -2.448 13.911 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.441 -1.054 11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.059 -2.579 10.947 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.507 -1.968 10.812 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -27.332 -4.204 11.502 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.761 -4.329 10.675 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.846 -4.460 12.447 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -27.864 -2.187 12.876 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.379 -2.441 13.824 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.671 -0.875 13.030 1.00 0.00 H new ATOM 286 N CYS A 18 -24.374 -4.919 13.930 1.00 0.00 N ATOM 287 CA CYS A 18 -24.214 -6.399 13.889 1.00 0.00 C ATOM 288 C CYS A 18 -25.592 -7.059 13.966 1.00 0.00 C ATOM 289 O CYS A 18 -26.539 -6.484 14.465 1.00 0.00 O ATOM 290 CB CYS A 18 -23.360 -6.850 15.075 1.00 0.00 C ATOM 291 SG CYS A 18 -21.777 -5.974 15.034 1.00 0.00 S ATOM 0 H CYS A 18 -24.924 -4.564 14.712 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.724 -6.690 12.960 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.879 -6.645 16.011 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.195 -7.927 15.031 1.00 0.00 H new ATOM 296 N PRO A 19 -25.700 -8.294 13.457 1.00 0.00 N ATOM 297 CA PRO A 19 -26.961 -9.044 13.460 1.00 0.00 C ATOM 298 C PRO A 19 -27.353 -9.491 14.871 1.00 0.00 C ATOM 299 O PRO A 19 -26.567 -9.421 15.794 1.00 0.00 O ATOM 300 CB PRO A 19 -26.655 -10.262 12.590 1.00 0.00 C ATOM 301 CG PRO A 19 -25.176 -10.433 12.684 1.00 0.00 C ATOM 302 CD PRO A 19 -24.600 -9.053 12.841 1.00 0.00 C ATOM 0 HA PRO A 19 -27.795 -8.444 13.097 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.180 -11.147 12.950 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.970 -10.101 11.559 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.911 -11.064 13.533 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.783 -10.919 11.791 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.712 -9.058 13.473 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.307 -8.628 11.881 1.00 0.00 H new ATOM 310 N LYS A 20 -28.562 -9.946 15.043 1.00 0.00 N ATOM 311 CA LYS A 20 -29.002 -10.394 16.395 1.00 0.00 C ATOM 312 C LYS A 20 -28.640 -11.867 16.586 1.00 0.00 C ATOM 313 O LYS A 20 -28.656 -12.384 17.686 1.00 0.00 O ATOM 314 CB LYS A 20 -30.517 -10.218 16.522 1.00 0.00 C ATOM 315 CG LYS A 20 -30.924 -10.346 17.991 1.00 0.00 C ATOM 316 CD LYS A 20 -32.427 -10.090 18.126 1.00 0.00 C ATOM 317 CE LYS A 20 -32.830 -10.181 19.599 1.00 0.00 C ATOM 318 NZ LYS A 20 -34.314 -10.240 19.706 1.00 0.00 N ATOM 0 H LYS A 20 -29.264 -10.027 14.308 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.502 -9.796 17.157 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.814 -9.243 16.135 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -31.033 -10.969 15.924 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.679 -11.341 18.362 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.366 -9.633 18.598 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.676 -9.105 17.730 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.985 -10.820 17.540 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.387 -11.067 20.054 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -32.450 -9.318 20.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -34.588 -10.302 20.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.727 -9.382 19.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -34.666 -11.077 19.199 1.00 0.00 H new ATOM 332 N ASP A 21 -28.311 -12.550 15.525 1.00 0.00 N ATOM 333 CA ASP A 21 -27.946 -13.988 15.647 1.00 0.00 C ATOM 334 C ASP A 21 -26.567 -14.109 16.296 1.00 0.00 C ATOM 335 O ASP A 21 -25.565 -13.727 15.724 1.00 0.00 O ATOM 336 CB ASP A 21 -27.911 -14.624 14.257 1.00 0.00 C ATOM 337 CG ASP A 21 -27.861 -16.148 14.393 1.00 0.00 C ATOM 338 OD1 ASP A 21 -27.904 -16.624 15.516 1.00 0.00 O ATOM 339 OD2 ASP A 21 -27.780 -16.812 13.373 1.00 0.00 O ATOM 0 H ASP A 21 -28.279 -12.173 14.578 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.685 -14.500 16.263 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -28.792 -14.328 13.688 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.041 -14.269 13.705 1.00 0.00 H new ATOM 344 N LEU A 22 -26.503 -14.639 17.487 1.00 0.00 N ATOM 345 CA LEU A 22 -25.184 -14.783 18.166 1.00 0.00 C ATOM 346 C LEU A 22 -24.405 -15.931 17.526 1.00 0.00 C ATOM 347 O LEU A 22 -24.853 -17.061 17.500 1.00 0.00 O ATOM 348 CB LEU A 22 -25.398 -15.081 19.650 1.00 0.00 C ATOM 349 CG LEU A 22 -24.040 -15.283 20.326 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.180 -14.033 20.124 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.244 -15.525 21.823 1.00 0.00 C ATOM 0 H LEU A 22 -27.305 -14.978 18.018 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.622 -13.855 18.061 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.935 -14.259 20.124 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.013 -15.973 19.769 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.540 -16.145 19.885 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.212 -14.175 20.605 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.033 -13.861 19.058 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.681 -13.171 20.565 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.276 -15.669 22.304 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.745 -14.664 22.266 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.857 -16.415 21.968 1.00 0.00 H new ATOM 363 N LYS A 23 -23.239 -15.654 17.011 1.00 0.00 N ATOM 364 CA LYS A 23 -22.430 -16.731 16.375 1.00 0.00 C ATOM 365 C LYS A 23 -20.996 -16.658 16.899 1.00 0.00 C ATOM 366 O LYS A 23 -20.210 -15.840 16.467 1.00 0.00 O ATOM 367 CB LYS A 23 -22.437 -16.546 14.858 1.00 0.00 C ATOM 368 CG LYS A 23 -23.618 -17.309 14.261 1.00 0.00 C ATOM 369 CD LYS A 23 -23.101 -18.517 13.475 1.00 0.00 C ATOM 370 CE LYS A 23 -23.429 -19.800 14.240 1.00 0.00 C ATOM 371 NZ LYS A 23 -22.276 -20.741 14.151 1.00 0.00 N ATOM 0 H LYS A 23 -22.811 -14.728 17.003 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.856 -17.704 16.618 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.511 -15.487 14.610 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.502 -16.909 14.432 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.290 -17.638 15.054 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.194 -16.655 13.606 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.558 -18.544 12.486 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.024 -18.434 13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.644 -19.569 15.283 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.324 -20.264 13.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.499 -21.613 14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.091 -20.970 13.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.432 -20.297 14.566 1.00 0.00 H new ATOM 385 N PRO A 24 -20.658 -17.534 17.858 1.00 0.00 N ATOM 386 CA PRO A 24 -19.320 -17.577 18.467 1.00 0.00 C ATOM 387 C PRO A 24 -18.239 -17.969 17.462 1.00 0.00 C ATOM 388 O PRO A 24 -18.262 -19.043 16.899 1.00 0.00 O ATOM 389 CB PRO A 24 -19.456 -18.653 19.548 1.00 0.00 C ATOM 390 CG PRO A 24 -20.584 -19.506 19.078 1.00 0.00 C ATOM 391 CD PRO A 24 -21.550 -18.564 18.419 1.00 0.00 C ATOM 0 HA PRO A 24 -19.016 -16.603 18.850 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.537 -19.230 19.653 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.669 -18.213 20.522 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.237 -20.266 18.378 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -21.053 -20.031 19.910 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.136 -19.059 17.645 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.258 -18.143 19.133 1.00 0.00 H new ATOM 399 N VAL A 25 -17.289 -17.103 17.232 1.00 0.00 N ATOM 400 CA VAL A 25 -16.206 -17.431 16.261 1.00 0.00 C ATOM 401 C VAL A 25 -14.856 -17.452 16.979 1.00 0.00 C ATOM 402 O VAL A 25 -14.676 -16.832 18.006 1.00 0.00 O ATOM 403 CB VAL A 25 -16.171 -16.375 15.157 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.579 -16.162 14.601 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.644 -15.058 15.733 1.00 0.00 C ATOM 0 H VAL A 25 -17.216 -16.186 17.673 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.402 -18.411 15.826 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.516 -16.712 14.354 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.549 -15.408 13.814 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.954 -17.100 14.191 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.239 -15.826 15.401 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.618 -14.302 14.948 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.300 -14.724 16.537 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.638 -15.209 16.125 1.00 0.00 H new ATOM 415 N CYS A 26 -13.901 -18.156 16.435 1.00 0.00 N ATOM 416 CA CYS A 26 -12.555 -18.214 17.076 1.00 0.00 C ATOM 417 C CYS A 26 -11.608 -17.257 16.350 1.00 0.00 C ATOM 418 O CYS A 26 -11.199 -17.507 15.237 1.00 0.00 O ATOM 419 CB CYS A 26 -12.004 -19.638 16.984 1.00 0.00 C ATOM 420 SG CYS A 26 -10.296 -19.663 17.585 1.00 0.00 S ATOM 0 H CYS A 26 -13.994 -18.694 15.574 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.639 -17.925 18.124 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.619 -20.316 17.575 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.043 -19.989 15.953 1.00 0.00 H new ATOM 425 N GLY A 27 -11.255 -16.163 16.968 1.00 0.00 N ATOM 426 CA GLY A 27 -10.339 -15.195 16.301 1.00 0.00 C ATOM 427 C GLY A 27 -8.991 -15.863 16.017 1.00 0.00 C ATOM 428 O GLY A 27 -8.474 -16.612 16.823 1.00 0.00 O ATOM 0 H GLY A 27 -11.561 -15.898 17.904 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.783 -14.843 15.370 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.195 -14.321 16.936 1.00 0.00 H new ATOM 432 N ASP A 28 -8.417 -15.593 14.874 1.00 0.00 N ATOM 433 CA ASP A 28 -7.102 -16.207 14.533 1.00 0.00 C ATOM 434 C ASP A 28 -6.009 -15.603 15.416 1.00 0.00 C ATOM 435 O ASP A 28 -4.886 -16.065 15.433 1.00 0.00 O ATOM 436 CB ASP A 28 -6.779 -15.930 13.063 1.00 0.00 C ATOM 437 CG ASP A 28 -6.684 -14.421 12.837 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.690 -13.692 13.816 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.606 -14.017 11.688 1.00 0.00 O ATOM 0 H ASP A 28 -8.803 -14.973 14.162 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.150 -17.283 14.701 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.839 -16.409 12.790 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.552 -16.356 12.423 1.00 0.00 H new ATOM 444 N ASP A 29 -6.329 -14.575 16.153 1.00 0.00 N ATOM 445 CA ASP A 29 -5.306 -13.948 17.036 1.00 0.00 C ATOM 446 C ASP A 29 -5.219 -14.728 18.349 1.00 0.00 C ATOM 447 O ASP A 29 -4.472 -14.380 19.241 1.00 0.00 O ATOM 448 CB ASP A 29 -5.703 -12.499 17.328 1.00 0.00 C ATOM 449 CG ASP A 29 -7.062 -12.474 18.032 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.545 -13.537 18.380 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.594 -11.390 18.210 1.00 0.00 O ATOM 0 H ASP A 29 -7.253 -14.143 16.182 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.336 -13.965 16.538 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.948 -12.023 17.954 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.752 -11.930 16.400 1.00 0.00 H new ATOM 456 N GLY A 30 -5.983 -15.780 18.478 1.00 0.00 N ATOM 457 CA GLY A 30 -5.944 -16.576 19.735 1.00 0.00 C ATOM 458 C GLY A 30 -7.048 -16.087 20.672 1.00 0.00 C ATOM 459 O GLY A 30 -7.024 -16.335 21.862 1.00 0.00 O ATOM 0 H GLY A 30 -6.631 -16.121 17.767 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.080 -17.635 19.514 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.971 -16.473 20.215 1.00 0.00 H new ATOM 463 N GLN A 31 -8.018 -15.392 20.144 1.00 0.00 N ATOM 464 CA GLN A 31 -9.125 -14.885 21.001 1.00 0.00 C ATOM 465 C GLN A 31 -10.463 -15.367 20.439 1.00 0.00 C ATOM 466 O GLN A 31 -10.547 -15.826 19.317 1.00 0.00 O ATOM 467 CB GLN A 31 -9.102 -13.356 21.014 1.00 0.00 C ATOM 468 CG GLN A 31 -7.830 -12.869 21.712 1.00 0.00 C ATOM 469 CD GLN A 31 -7.726 -11.348 21.577 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.493 -10.735 20.861 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.801 -10.708 22.240 1.00 0.00 N ATOM 0 H GLN A 31 -8.091 -15.154 19.155 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.998 -15.259 22.017 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.139 -12.973 19.994 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.982 -12.973 21.531 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.849 -13.151 22.765 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.955 -13.345 21.270 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.157 -11.222 22.841 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.723 -9.694 22.157 1.00 0.00 H new ATOM 480 N THR A 32 -11.509 -15.266 21.209 1.00 0.00 N ATOM 481 CA THR A 32 -12.840 -15.716 20.721 1.00 0.00 C ATOM 482 C THR A 32 -13.815 -14.538 20.755 1.00 0.00 C ATOM 483 O THR A 32 -13.889 -13.810 21.726 1.00 0.00 O ATOM 484 CB THR A 32 -13.360 -16.837 21.622 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.447 -17.926 21.593 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.727 -17.304 21.122 1.00 0.00 C ATOM 0 H THR A 32 -11.499 -14.890 22.157 1.00 0.00 H new ATOM 0 HA THR A 32 -12.750 -16.085 19.699 1.00 0.00 H new ATOM 0 HB THR A 32 -13.456 -16.468 22.643 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.777 -18.645 22.171 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.096 -18.103 21.765 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.427 -16.469 21.143 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.634 -17.674 20.101 1.00 0.00 H new ATOM 494 N TYR A 33 -14.563 -14.343 19.705 1.00 0.00 N ATOM 495 CA TYR A 33 -15.529 -13.210 19.683 1.00 0.00 C ATOM 496 C TYR A 33 -16.952 -13.765 19.626 1.00 0.00 C ATOM 497 O TYR A 33 -17.325 -14.452 18.695 1.00 0.00 O ATOM 498 CB TYR A 33 -15.252 -12.339 18.457 1.00 0.00 C ATOM 499 CG TYR A 33 -13.814 -11.877 18.500 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.778 -12.803 18.324 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.515 -10.528 18.727 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.445 -12.380 18.373 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.179 -10.105 18.774 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.145 -11.032 18.597 1.00 0.00 C ATOM 505 OH TYR A 33 -9.831 -10.616 18.646 1.00 0.00 O ATOM 0 H TYR A 33 -14.547 -14.918 18.863 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.419 -12.605 20.583 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.440 -12.903 17.544 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.924 -11.481 18.445 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.008 -13.844 18.150 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.313 -9.814 18.866 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.647 -13.095 18.238 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.948 -9.064 18.947 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.371 -11.072 19.381 1.00 0.00 H new ATOM 515 N ASN A 34 -17.747 -13.483 20.621 1.00 0.00 N ATOM 516 CA ASN A 34 -19.142 -14.008 20.629 1.00 0.00 C ATOM 517 C ASN A 34 -19.765 -13.841 19.242 1.00 0.00 C ATOM 518 O ASN A 34 -19.814 -14.767 18.463 1.00 0.00 O ATOM 519 CB ASN A 34 -19.978 -13.262 21.677 1.00 0.00 C ATOM 520 CG ASN A 34 -19.138 -13.028 22.931 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.377 -13.885 23.338 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.242 -11.894 23.566 1.00 0.00 N ATOM 0 H ASN A 34 -17.492 -12.913 21.427 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.124 -15.067 20.885 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.320 -12.309 21.273 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.868 -13.840 21.926 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.685 -11.726 24.404 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.880 -11.175 23.225 1.00 0.00 H new ATOM 529 N ASN A 35 -20.243 -12.672 18.924 1.00 0.00 N ATOM 530 CA ASN A 35 -20.861 -12.461 17.585 1.00 0.00 C ATOM 531 C ASN A 35 -19.765 -12.210 16.547 1.00 0.00 C ATOM 532 O ASN A 35 -18.755 -11.600 16.836 1.00 0.00 O ATOM 533 CB ASN A 35 -21.802 -11.255 17.656 1.00 0.00 C ATOM 534 CG ASN A 35 -22.371 -10.949 16.270 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.650 -10.546 15.378 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.646 -11.126 16.051 1.00 0.00 N ATOM 0 H ASN A 35 -20.233 -11.853 19.532 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.426 -13.346 17.293 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.614 -11.458 18.354 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.264 -10.387 18.037 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.038 -10.926 15.131 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.250 -11.464 16.800 1.00 0.00 H new ATOM 543 N PRO A 36 -19.975 -12.682 15.306 1.00 0.00 N ATOM 544 CA PRO A 36 -19.009 -12.499 14.214 1.00 0.00 C ATOM 545 C PRO A 36 -18.822 -11.018 13.878 1.00 0.00 C ATOM 546 O PRO A 36 -17.714 -10.523 13.826 1.00 0.00 O ATOM 547 CB PRO A 36 -19.649 -13.247 13.043 1.00 0.00 C ATOM 548 CG PRO A 36 -21.102 -13.261 13.370 1.00 0.00 C ATOM 549 CD PRO A 36 -21.164 -13.426 14.861 1.00 0.00 C ATOM 0 HA PRO A 36 -18.015 -12.868 14.466 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.459 -12.742 12.096 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.252 -14.258 12.951 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.586 -12.337 13.055 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.613 -14.078 12.861 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.082 -13.013 15.278 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.123 -14.474 15.157 1.00 0.00 H new ATOM 557 N CYS A 37 -19.892 -10.298 13.674 1.00 0.00 N ATOM 558 CA CYS A 37 -19.750 -8.849 13.374 1.00 0.00 C ATOM 559 C CYS A 37 -19.078 -8.186 14.576 1.00 0.00 C ATOM 560 O CYS A 37 -18.397 -7.187 14.454 1.00 0.00 O ATOM 561 CB CYS A 37 -21.133 -8.233 13.137 1.00 0.00 C ATOM 562 SG CYS A 37 -21.022 -6.426 13.217 1.00 0.00 S ATOM 0 H CYS A 37 -20.849 -10.649 13.702 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.149 -8.699 12.477 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.516 -8.540 12.164 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.836 -8.597 13.886 1.00 0.00 H new ATOM 567 N MET A 38 -19.261 -8.751 15.741 1.00 0.00 N ATOM 568 CA MET A 38 -18.631 -8.177 16.961 1.00 0.00 C ATOM 569 C MET A 38 -17.111 -8.314 16.847 1.00 0.00 C ATOM 570 O MET A 38 -16.364 -7.635 17.523 1.00 0.00 O ATOM 571 CB MET A 38 -19.123 -8.940 18.193 1.00 0.00 C ATOM 572 CG MET A 38 -20.295 -8.187 18.826 1.00 0.00 C ATOM 573 SD MET A 38 -20.816 -9.038 20.336 1.00 0.00 S ATOM 574 CE MET A 38 -19.733 -8.149 21.482 1.00 0.00 C ATOM 0 H MET A 38 -19.822 -9.588 15.898 1.00 0.00 H new ATOM 0 HA MET A 38 -18.899 -7.125 17.057 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.433 -9.946 17.911 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.313 -9.047 18.915 1.00 0.00 H new ATOM 0 HG2 MET A 38 -20.001 -7.163 19.056 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.126 -8.130 18.123 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.891 -8.521 22.494 1.00 0.00 H new ATOM 0 HE2 MET A 38 -18.693 -8.306 21.196 1.00 0.00 H new ATOM 0 HE3 MET A 38 -19.962 -7.084 21.447 1.00 0.00 H new ATOM 584 N LEU A 39 -16.650 -9.182 15.987 1.00 0.00 N ATOM 585 CA LEU A 39 -15.181 -9.358 15.819 1.00 0.00 C ATOM 586 C LEU A 39 -14.595 -8.056 15.287 1.00 0.00 C ATOM 587 O LEU A 39 -13.673 -7.499 15.849 1.00 0.00 O ATOM 588 CB LEU A 39 -14.910 -10.490 14.826 1.00 0.00 C ATOM 589 CG LEU A 39 -13.416 -10.539 14.501 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.647 -11.066 15.715 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.182 -11.466 13.306 1.00 0.00 C ATOM 0 H LEU A 39 -17.229 -9.777 15.394 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.722 -9.609 16.775 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.232 -11.442 15.247 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.486 -10.333 13.914 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.065 -9.537 14.256 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.582 -11.101 15.484 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.812 -10.405 16.565 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.998 -12.068 15.961 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.117 -11.500 13.075 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.533 -12.469 13.549 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.729 -11.090 12.441 1.00 0.00 H new ATOM 603 N CYS A 40 -15.139 -7.554 14.216 1.00 0.00 N ATOM 604 CA CYS A 40 -14.627 -6.274 13.662 1.00 0.00 C ATOM 605 C CYS A 40 -14.771 -5.197 14.735 1.00 0.00 C ATOM 606 O CYS A 40 -13.996 -4.265 14.804 1.00 0.00 O ATOM 607 CB CYS A 40 -15.433 -5.891 12.425 1.00 0.00 C ATOM 608 SG CYS A 40 -14.434 -4.808 11.382 1.00 0.00 S ATOM 0 H CYS A 40 -15.914 -7.974 13.702 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.580 -6.377 13.376 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.721 -6.785 11.872 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -16.354 -5.387 12.717 1.00 0.00 H new ATOM 613 N HIS A 41 -15.749 -5.335 15.589 1.00 0.00 N ATOM 614 CA HIS A 41 -15.936 -4.337 16.677 1.00 0.00 C ATOM 615 C HIS A 41 -14.725 -4.395 17.603 1.00 0.00 C ATOM 616 O HIS A 41 -14.018 -3.422 17.779 1.00 0.00 O ATOM 617 CB HIS A 41 -17.199 -4.675 17.470 1.00 0.00 C ATOM 618 CG HIS A 41 -17.725 -3.432 18.133 1.00 0.00 C ATOM 619 ND1 HIS A 41 -18.101 -2.311 17.410 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.940 -3.116 19.452 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.518 -1.382 18.289 1.00 0.00 C ATOM 622 NE2 HIS A 41 -18.441 -1.822 19.548 1.00 0.00 N ATOM 0 H HIS A 41 -16.427 -6.097 15.579 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.036 -3.338 16.253 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.956 -5.094 16.807 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.977 -5.434 18.220 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -18.068 -2.209 16.396 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.749 -3.773 20.288 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.872 -0.400 18.011 1.00 0.00 H new ATOM 630 N GLU A 42 -14.469 -5.535 18.185 1.00 0.00 N ATOM 631 CA GLU A 42 -13.290 -5.656 19.083 1.00 0.00 C ATOM 632 C GLU A 42 -12.042 -5.299 18.281 1.00 0.00 C ATOM 633 O GLU A 42 -11.026 -4.910 18.825 1.00 0.00 O ATOM 634 CB GLU A 42 -13.179 -7.093 19.594 1.00 0.00 C ATOM 635 CG GLU A 42 -14.289 -7.360 20.614 1.00 0.00 C ATOM 636 CD GLU A 42 -14.085 -8.740 21.241 1.00 0.00 C ATOM 637 OE1 GLU A 42 -13.012 -9.295 21.069 1.00 0.00 O ATOM 638 OE2 GLU A 42 -15.006 -9.219 21.881 1.00 0.00 O ATOM 0 H GLU A 42 -15.024 -6.384 18.077 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.395 -4.986 19.936 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.259 -7.793 18.762 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.203 -7.253 20.053 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.279 -6.592 21.388 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.263 -7.310 20.128 1.00 0.00 H new ATOM 645 N ASN A 43 -12.119 -5.418 16.984 1.00 0.00 N ATOM 646 CA ASN A 43 -10.947 -5.078 16.133 1.00 0.00 C ATOM 647 C ASN A 43 -10.789 -3.558 16.098 1.00 0.00 C ATOM 648 O ASN A 43 -9.695 -3.041 16.014 1.00 0.00 O ATOM 649 CB ASN A 43 -11.173 -5.609 14.715 1.00 0.00 C ATOM 650 CG ASN A 43 -10.993 -7.129 14.709 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.330 -7.676 15.567 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.560 -7.839 13.772 1.00 0.00 N ATOM 0 H ASN A 43 -12.945 -5.737 16.477 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.045 -5.532 16.542 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.174 -5.349 14.372 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.469 -5.145 14.024 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.446 -8.853 13.761 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.117 -7.380 13.051 1.00 0.00 H new ATOM 659 N LEU A 44 -11.877 -2.838 16.177 1.00 0.00 N ATOM 660 CA LEU A 44 -11.784 -1.352 16.166 1.00 0.00 C ATOM 661 C LEU A 44 -10.968 -0.906 17.380 1.00 0.00 C ATOM 662 O LEU A 44 -10.272 0.089 17.344 1.00 0.00 O ATOM 663 CB LEU A 44 -13.190 -0.748 16.240 1.00 0.00 C ATOM 664 CG LEU A 44 -13.979 -1.122 14.983 1.00 0.00 C ATOM 665 CD1 LEU A 44 -15.330 -0.401 14.996 1.00 0.00 C ATOM 666 CD2 LEU A 44 -13.193 -0.706 13.737 1.00 0.00 C ATOM 0 H LEU A 44 -12.822 -3.215 16.248 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.302 -1.015 15.248 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.707 -1.113 17.128 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.126 0.336 16.332 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.139 -2.200 14.966 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.893 -0.667 14.101 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.893 -0.699 15.881 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -15.167 0.677 15.016 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.758 -0.974 12.844 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.029 0.372 13.753 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.231 -1.219 13.725 1.00 0.00 H new ATOM 678 N ILE A 45 -11.044 -1.646 18.454 1.00 0.00 N ATOM 679 CA ILE A 45 -10.268 -1.283 19.673 1.00 0.00 C ATOM 680 C ILE A 45 -8.822 -1.754 19.503 1.00 0.00 C ATOM 681 O ILE A 45 -7.887 -1.072 19.876 1.00 0.00 O ATOM 682 CB ILE A 45 -10.880 -1.962 20.901 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.394 -2.103 20.715 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.597 -1.116 22.145 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.029 -2.540 22.036 1.00 0.00 C ATOM 0 H ILE A 45 -11.612 -2.489 18.539 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.294 -0.202 19.811 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.438 -2.951 21.022 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.821 -1.155 20.389 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.609 -2.834 19.936 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.032 -1.599 23.020 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.520 -1.020 22.282 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.037 -0.127 22.020 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.106 -2.641 21.906 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.609 -3.498 22.342 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.825 -1.793 22.803 1.00 0.00 H new ATOM 697 N ARG A 46 -8.633 -2.916 18.940 1.00 0.00 N ATOM 698 CA ARG A 46 -7.250 -3.434 18.739 1.00 0.00 C ATOM 699 C ARG A 46 -6.639 -2.765 17.508 1.00 0.00 C ATOM 700 O ARG A 46 -5.435 -2.669 17.371 1.00 0.00 O ATOM 701 CB ARG A 46 -7.297 -4.949 18.524 1.00 0.00 C ATOM 702 CG ARG A 46 -7.787 -5.635 19.802 1.00 0.00 C ATOM 703 CD ARG A 46 -7.686 -7.153 19.637 1.00 0.00 C ATOM 704 NE ARG A 46 -8.317 -7.825 20.807 1.00 0.00 N ATOM 705 CZ ARG A 46 -9.607 -7.748 20.987 1.00 0.00 C ATOM 706 NH1 ARG A 46 -10.367 -8.774 20.718 1.00 0.00 N ATOM 707 NH2 ARG A 46 -10.139 -6.644 21.439 1.00 0.00 N ATOM 0 H ARG A 46 -9.378 -3.530 18.610 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.644 -3.213 19.618 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.961 -5.188 17.694 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.307 -5.319 18.257 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.189 -5.310 20.654 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.818 -5.349 20.009 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.181 -7.463 18.716 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.641 -7.451 19.553 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.740 -8.346 21.468 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.953 -9.637 20.367 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.375 -8.713 20.859 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.546 -5.842 21.651 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.147 -6.584 21.580 1.00 0.00 H new ATOM 721 N GLN A 47 -7.464 -2.300 16.610 1.00 0.00 N ATOM 722 CA GLN A 47 -6.943 -1.637 15.383 1.00 0.00 C ATOM 723 C GLN A 47 -6.124 -2.640 14.570 1.00 0.00 C ATOM 724 O GLN A 47 -5.074 -2.324 14.049 1.00 0.00 O ATOM 725 CB GLN A 47 -6.061 -0.451 15.779 1.00 0.00 C ATOM 726 CG GLN A 47 -6.913 0.594 16.502 1.00 0.00 C ATOM 727 CD GLN A 47 -6.045 1.801 16.865 1.00 0.00 C ATOM 728 OE1 GLN A 47 -4.835 1.739 16.784 1.00 0.00 O ATOM 729 NE2 GLN A 47 -6.616 2.904 17.265 1.00 0.00 N ATOM 0 H GLN A 47 -8.481 -2.351 16.675 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.777 -1.280 14.779 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.250 -0.786 16.426 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.602 -0.013 14.893 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.741 0.907 15.866 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.349 0.163 17.403 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.632 2.956 17.333 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.046 3.714 17.509 1.00 0.00 H new ATOM 738 N THR A 48 -6.601 -3.850 14.453 1.00 0.00 N ATOM 739 CA THR A 48 -5.857 -4.874 13.669 1.00 0.00 C ATOM 740 C THR A 48 -6.825 -5.592 12.726 1.00 0.00 C ATOM 741 O THR A 48 -8.029 -5.511 12.878 1.00 0.00 O ATOM 742 CB THR A 48 -5.224 -5.892 14.622 1.00 0.00 C ATOM 743 OG1 THR A 48 -4.326 -6.720 13.897 1.00 0.00 O ATOM 744 CG2 THR A 48 -6.318 -6.754 15.252 1.00 0.00 C ATOM 0 H THR A 48 -7.475 -4.173 14.868 1.00 0.00 H new ATOM 0 HA THR A 48 -5.073 -4.388 13.088 1.00 0.00 H new ATOM 0 HB THR A 48 -4.682 -5.366 15.408 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.918 -7.371 14.505 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.866 -7.478 15.930 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.007 -6.118 15.807 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.862 -7.281 14.468 1.00 0.00 H new ATOM 752 N ASN A 49 -6.312 -6.292 11.754 1.00 0.00 N ATOM 753 CA ASN A 49 -7.205 -7.013 10.803 1.00 0.00 C ATOM 754 C ASN A 49 -7.382 -8.459 11.268 1.00 0.00 C ATOM 755 O ASN A 49 -7.026 -9.392 10.575 1.00 0.00 O ATOM 756 CB ASN A 49 -6.582 -6.998 9.406 1.00 0.00 C ATOM 757 CG ASN A 49 -6.487 -5.555 8.906 1.00 0.00 C ATOM 758 OD1 ASN A 49 -7.164 -4.680 9.408 1.00 0.00 O ATOM 759 ND2 ASN A 49 -5.669 -5.268 7.931 1.00 0.00 N ATOM 0 H ASN A 49 -5.313 -6.397 11.576 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.177 -6.520 10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.591 -7.451 9.433 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.186 -7.593 8.720 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.598 -4.309 7.590 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.100 -6.002 7.509 1.00 0.00 H new ATOM 766 N THR A 50 -7.927 -8.654 12.436 1.00 0.00 N ATOM 767 CA THR A 50 -8.125 -10.041 12.944 1.00 0.00 C ATOM 768 C THR A 50 -9.150 -10.765 12.069 1.00 0.00 C ATOM 769 O THR A 50 -10.181 -10.223 11.725 1.00 0.00 O ATOM 770 CB THR A 50 -8.636 -9.990 14.386 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.699 -9.293 15.195 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.813 -11.415 14.915 1.00 0.00 C ATOM 0 H THR A 50 -8.244 -7.913 13.061 1.00 0.00 H new ATOM 0 HA THR A 50 -7.176 -10.576 12.912 1.00 0.00 H new ATOM 0 HB THR A 50 -9.595 -9.472 14.415 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.026 -9.258 16.118 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.177 -11.379 15.942 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.533 -11.947 14.293 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.855 -11.935 14.887 1.00 0.00 H new ATOM 780 N HIS A 51 -8.876 -11.990 11.711 1.00 0.00 N ATOM 781 CA HIS A 51 -9.836 -12.751 10.863 1.00 0.00 C ATOM 782 C HIS A 51 -10.459 -13.874 11.691 1.00 0.00 C ATOM 783 O HIS A 51 -10.170 -14.027 12.861 1.00 0.00 O ATOM 784 CB HIS A 51 -9.095 -13.352 9.667 1.00 0.00 C ATOM 785 CG HIS A 51 -8.385 -12.259 8.914 1.00 0.00 C ATOM 786 ND1 HIS A 51 -7.154 -11.764 9.316 1.00 0.00 N ATOM 787 CD2 HIS A 51 -8.722 -11.557 7.784 1.00 0.00 C ATOM 788 CE1 HIS A 51 -6.798 -10.807 8.439 1.00 0.00 C ATOM 789 NE2 HIS A 51 -7.718 -10.640 7.486 1.00 0.00 N ATOM 0 H HIS A 51 -8.029 -12.496 11.969 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.618 -12.081 10.506 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.377 -14.098 10.008 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.798 -13.863 9.010 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.628 -11.695 7.213 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.879 -10.242 8.499 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.691 -9.982 6.707 1.00 0.00 H new ATOM 797 N ILE A 52 -11.313 -14.663 11.099 1.00 0.00 N ATOM 798 CA ILE A 52 -11.948 -15.772 11.864 1.00 0.00 C ATOM 799 C ILE A 52 -11.088 -17.032 11.757 1.00 0.00 C ATOM 800 O ILE A 52 -10.743 -17.475 10.679 1.00 0.00 O ATOM 801 CB ILE A 52 -13.338 -16.064 11.302 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.231 -14.832 11.477 1.00 0.00 C ATOM 803 CG2 ILE A 52 -13.944 -17.246 12.060 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.688 -15.212 11.200 1.00 0.00 C ATOM 0 H ILE A 52 -11.597 -14.588 10.122 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.034 -15.475 12.909 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.263 -16.305 10.242 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.133 -14.440 12.489 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.915 -14.041 10.797 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.937 -17.461 11.665 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.307 -18.122 11.937 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.021 -16.998 13.119 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.323 -14.335 11.325 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.779 -15.584 10.179 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.001 -15.988 11.898 1.00 0.00 H new ATOM 816 N ARG A 53 -10.746 -17.613 12.871 1.00 0.00 N ATOM 817 CA ARG A 53 -9.914 -18.848 12.855 1.00 0.00 C ATOM 818 C ARG A 53 -10.804 -20.051 12.550 1.00 0.00 C ATOM 819 O ARG A 53 -10.583 -20.784 11.607 1.00 0.00 O ATOM 820 CB ARG A 53 -9.270 -19.039 14.229 1.00 0.00 C ATOM 821 CG ARG A 53 -8.267 -20.190 14.167 1.00 0.00 C ATOM 822 CD ARG A 53 -7.389 -20.173 15.419 1.00 0.00 C ATOM 823 NE ARG A 53 -6.533 -21.392 15.443 1.00 0.00 N ATOM 824 CZ ARG A 53 -5.258 -21.290 15.700 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.404 -21.167 14.721 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.838 -21.311 16.934 1.00 0.00 N ATOM 0 H ARG A 53 -11.009 -17.283 13.800 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.140 -18.759 12.093 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.768 -18.122 14.538 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.036 -19.250 14.975 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.794 -21.141 14.093 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.648 -20.098 13.275 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.766 -19.278 15.427 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.012 -20.136 16.313 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.944 -22.307 15.258 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.734 -21.151 13.756 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.407 -21.087 14.921 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.506 -21.407 17.699 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.841 -21.231 17.135 1.00 0.00 H new ATOM 840 N SER A 54 -11.809 -20.251 13.350 1.00 0.00 N ATOM 841 CA SER A 54 -12.730 -21.399 13.132 1.00 0.00 C ATOM 842 C SER A 54 -14.105 -21.044 13.695 1.00 0.00 C ATOM 843 O SER A 54 -14.218 -20.388 14.711 1.00 0.00 O ATOM 844 CB SER A 54 -12.185 -22.636 13.850 1.00 0.00 C ATOM 845 OG SER A 54 -11.063 -23.140 13.142 1.00 0.00 O ATOM 0 H SER A 54 -12.035 -19.664 14.153 1.00 0.00 H new ATOM 0 HA SER A 54 -12.811 -21.611 12.066 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.899 -22.381 14.870 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.959 -23.401 13.917 1.00 0.00 H new ATOM 0 HG SER A 54 -10.807 -22.506 12.440 1.00 0.00 H new ATOM 851 N THR A 55 -15.152 -21.462 13.044 1.00 0.00 N ATOM 852 CA THR A 55 -16.514 -21.135 13.547 1.00 0.00 C ATOM 853 C THR A 55 -16.694 -21.705 14.955 1.00 0.00 C ATOM 854 O THR A 55 -16.161 -22.745 15.291 1.00 0.00 O ATOM 855 CB THR A 55 -17.566 -21.739 12.614 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.583 -23.151 12.775 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.224 -21.394 11.164 1.00 0.00 C ATOM 0 H THR A 55 -15.125 -22.015 12.187 1.00 0.00 H new ATOM 0 HA THR A 55 -16.635 -20.052 13.577 1.00 0.00 H new ATOM 0 HB THR A 55 -18.547 -21.332 12.860 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.257 -23.540 12.180 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.974 -21.825 10.501 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.210 -20.311 11.041 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.244 -21.800 10.915 1.00 0.00 H new ATOM 865 N GLY A 56 -17.442 -21.027 15.780 1.00 0.00 N ATOM 866 CA GLY A 56 -17.664 -21.518 17.168 1.00 0.00 C ATOM 867 C GLY A 56 -16.532 -21.031 18.069 1.00 0.00 C ATOM 868 O GLY A 56 -15.480 -20.634 17.609 1.00 0.00 O ATOM 0 H GLY A 56 -17.911 -20.150 15.551 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.622 -21.158 17.543 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.707 -22.607 17.177 1.00 0.00 H new ATOM 872 N LYS A 57 -16.744 -21.061 19.351 1.00 0.00 N ATOM 873 CA LYS A 57 -15.687 -20.605 20.296 1.00 0.00 C ATOM 874 C LYS A 57 -14.545 -21.622 20.310 1.00 0.00 C ATOM 875 O LYS A 57 -14.748 -22.796 20.548 1.00 0.00 O ATOM 876 CB LYS A 57 -16.276 -20.479 21.703 1.00 0.00 C ATOM 877 CG LYS A 57 -17.265 -19.311 21.743 1.00 0.00 C ATOM 878 CD LYS A 57 -17.360 -18.775 23.174 1.00 0.00 C ATOM 879 CE LYS A 57 -18.530 -17.794 23.276 1.00 0.00 C ATOM 880 NZ LYS A 57 -18.663 -17.324 24.683 1.00 0.00 N ATOM 0 H LYS A 57 -17.607 -21.383 19.789 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.307 -19.635 19.975 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.779 -21.405 21.982 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.479 -20.319 22.429 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.939 -18.520 21.067 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.246 -19.639 21.400 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.501 -19.599 23.874 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.430 -18.278 23.450 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.366 -16.945 22.612 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.453 -18.277 22.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.458 -16.657 24.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.838 -18.138 25.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.785 -16.848 24.974 1.00 0.00 H new ATOM 894 N CYS A 58 -13.344 -21.182 20.051 1.00 0.00 N ATOM 895 CA CYS A 58 -12.191 -22.125 20.046 1.00 0.00 C ATOM 896 C CYS A 58 -12.244 -23.008 21.294 1.00 0.00 C ATOM 897 O CYS A 58 -11.897 -24.172 21.259 1.00 0.00 O ATOM 898 CB CYS A 58 -10.882 -21.332 20.036 1.00 0.00 C ATOM 899 SG CYS A 58 -10.091 -21.492 18.417 1.00 0.00 S ATOM 0 H CYS A 58 -13.112 -20.211 19.843 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.242 -22.753 19.157 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -11.079 -20.282 20.254 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.216 -21.700 20.816 1.00 0.00 H new ATOM 904 N GLU A 59 -12.675 -22.462 22.396 1.00 0.00 N ATOM 905 CA GLU A 59 -12.751 -23.269 23.647 1.00 0.00 C ATOM 906 C GLU A 59 -14.031 -24.106 23.635 1.00 0.00 C ATOM 907 O GLU A 59 -14.179 -25.042 24.395 1.00 0.00 O ATOM 908 CB GLU A 59 -12.766 -22.333 24.857 1.00 0.00 C ATOM 909 CG GLU A 59 -12.987 -23.151 26.132 1.00 0.00 C ATOM 910 CD GLU A 59 -13.144 -22.206 27.325 1.00 0.00 C ATOM 911 OE1 GLU A 59 -13.215 -21.008 27.100 1.00 0.00 O ATOM 912 OE2 GLU A 59 -13.190 -22.694 28.441 1.00 0.00 O ATOM 0 H GLU A 59 -12.978 -21.492 22.486 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.885 -23.928 23.708 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.824 -21.788 24.920 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.557 -21.591 24.747 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.876 -23.773 26.028 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.145 -23.823 26.296 1.00 0.00 H new ATOM 919 N GLU A 60 -14.957 -23.776 22.778 1.00 0.00 N ATOM 920 CA GLU A 60 -16.226 -24.552 22.718 1.00 0.00 C ATOM 921 C GLU A 60 -16.126 -25.614 21.621 1.00 0.00 C ATOM 922 O GLU A 60 -15.923 -25.307 20.463 1.00 0.00 O ATOM 923 CB GLU A 60 -17.389 -23.607 22.407 1.00 0.00 C ATOM 924 CG GLU A 60 -18.697 -24.399 22.381 1.00 0.00 C ATOM 925 CD GLU A 60 -19.850 -23.467 22.000 1.00 0.00 C ATOM 926 OE1 GLU A 60 -19.581 -22.315 21.701 1.00 0.00 O ATOM 927 OE2 GLU A 60 -20.981 -23.921 22.014 1.00 0.00 O ATOM 0 H GLU A 60 -14.889 -23.002 22.117 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.398 -25.037 23.679 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.443 -22.820 23.159 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.228 -23.119 21.446 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -18.625 -25.217 21.665 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.884 -24.846 23.358 1.00 0.00 H new ATOM 934 N SER A 61 -16.268 -26.861 21.977 1.00 0.00 N ATOM 935 CA SER A 61 -16.182 -27.942 20.956 1.00 0.00 C ATOM 936 C SER A 61 -17.238 -29.006 21.256 1.00 0.00 C ATOM 937 O SER A 61 -17.617 -29.216 22.391 1.00 0.00 O ATOM 938 CB SER A 61 -14.790 -28.576 21.000 1.00 0.00 C ATOM 939 OG SER A 61 -14.653 -29.336 22.191 1.00 0.00 O ATOM 0 H SER A 61 -16.440 -27.178 22.931 1.00 0.00 H new ATOM 0 HA SER A 61 -16.357 -27.523 19.965 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.642 -29.215 20.129 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.024 -27.801 20.960 1.00 0.00 H new ATOM 0 HG SER A 61 -13.762 -29.743 22.218 1.00 0.00 H new ATOM 945 N SER A 62 -17.718 -29.680 20.247 1.00 0.00 N ATOM 946 CA SER A 62 -18.751 -30.727 20.478 1.00 0.00 C ATOM 947 C SER A 62 -18.156 -32.106 20.184 1.00 0.00 C ATOM 948 O SER A 62 -17.321 -32.260 19.316 1.00 0.00 O ATOM 949 CB SER A 62 -19.944 -30.479 19.554 1.00 0.00 C ATOM 950 OG SER A 62 -20.471 -29.183 19.799 1.00 0.00 O ATOM 0 H SER A 62 -17.440 -29.551 19.274 1.00 0.00 H new ATOM 0 HA SER A 62 -19.081 -30.688 21.516 1.00 0.00 H new ATOM 0 HB2 SER A 62 -19.635 -30.567 18.512 1.00 0.00 H new ATOM 0 HB3 SER A 62 -20.712 -31.234 19.724 1.00 0.00 H new ATOM 0 HG SER A 62 -21.235 -29.023 19.206 1.00 0.00 H new ATOM 956 N THR A 63 -18.580 -33.109 20.903 1.00 0.00 N ATOM 957 CA THR A 63 -18.039 -34.477 20.666 1.00 0.00 C ATOM 958 C THR A 63 -19.191 -35.484 20.648 1.00 0.00 C ATOM 959 O THR A 63 -20.280 -35.204 21.109 1.00 0.00 O ATOM 960 CB THR A 63 -17.060 -34.840 21.784 1.00 0.00 C ATOM 961 OG1 THR A 63 -17.589 -34.407 23.031 1.00 0.00 O ATOM 962 CG2 THR A 63 -15.717 -34.155 21.532 1.00 0.00 C ATOM 0 H THR A 63 -19.277 -33.040 21.644 1.00 0.00 H new ATOM 0 HA THR A 63 -17.520 -34.502 19.708 1.00 0.00 H new ATOM 0 HB THR A 63 -16.915 -35.920 21.805 1.00 0.00 H new ATOM 0 HG1 THR A 63 -16.965 -34.640 23.750 1.00 0.00 H new ATOM 0 HG21 THR A 63 -15.021 -34.415 22.329 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.313 -34.487 20.575 1.00 0.00 H new ATOM 0 HG23 THR A 63 -15.858 -33.074 21.511 1.00 0.00 H new ATOM 970 N PRO A 64 -18.937 -36.683 20.104 1.00 0.00 N ATOM 971 CA PRO A 64 -19.946 -37.746 20.020 1.00 0.00 C ATOM 972 C PRO A 64 -20.265 -38.340 21.396 1.00 0.00 C ATOM 973 O PRO A 64 -21.275 -38.989 21.583 1.00 0.00 O ATOM 974 CB PRO A 64 -19.280 -38.802 19.138 1.00 0.00 C ATOM 975 CG PRO A 64 -17.817 -38.572 19.313 1.00 0.00 C ATOM 976 CD PRO A 64 -17.645 -37.094 19.528 1.00 0.00 C ATOM 0 HA PRO A 64 -20.894 -37.379 19.628 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -19.562 -39.809 19.444 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.576 -38.691 18.095 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -17.434 -39.136 20.164 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.263 -38.904 18.435 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -16.817 -36.879 20.204 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.437 -36.573 18.593 1.00 0.00 H new ATOM 984 N GLY A 65 -19.411 -38.123 22.358 1.00 0.00 N ATOM 985 CA GLY A 65 -19.666 -38.677 23.718 1.00 0.00 C ATOM 986 C GLY A 65 -20.992 -38.131 24.251 1.00 0.00 C ATOM 987 O GLY A 65 -21.690 -38.788 24.997 1.00 0.00 O ATOM 0 H GLY A 65 -18.549 -37.587 22.262 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -19.698 -39.766 23.679 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -18.852 -38.406 24.391 1.00 0.00 H new ATOM 991 N THR A 66 -21.346 -36.933 23.873 1.00 0.00 N ATOM 992 CA THR A 66 -22.627 -36.347 24.359 1.00 0.00 C ATOM 993 C THR A 66 -23.792 -36.928 23.556 1.00 0.00 C ATOM 994 O THR A 66 -23.726 -37.052 22.350 1.00 0.00 O ATOM 995 CB THR A 66 -22.594 -34.827 24.179 1.00 0.00 C ATOM 996 OG1 THR A 66 -21.447 -34.300 24.832 1.00 0.00 O ATOM 997 CG2 THR A 66 -23.856 -34.211 24.784 1.00 0.00 C ATOM 0 H THR A 66 -20.804 -36.335 23.249 1.00 0.00 H new ATOM 0 HA THR A 66 -22.757 -36.586 25.414 1.00 0.00 H new ATOM 0 HB THR A 66 -22.551 -34.588 23.117 1.00 0.00 H new ATOM 0 HG1 THR A 66 -21.423 -33.327 24.717 1.00 0.00 H new ATOM 0 HG21 THR A 66 -23.831 -33.129 24.655 1.00 0.00 H new ATOM 0 HG22 THR A 66 -24.735 -34.616 24.282 1.00 0.00 H new ATOM 0 HG23 THR A 66 -23.903 -34.449 25.847 1.00 0.00 H new ATOM 1005 N THR A 67 -24.859 -37.287 24.216 1.00 0.00 N ATOM 1006 CA THR A 67 -26.026 -37.860 23.489 1.00 0.00 C ATOM 1007 C THR A 67 -26.590 -36.816 22.524 1.00 0.00 C ATOM 1008 O THR A 67 -27.152 -37.143 21.499 1.00 0.00 O ATOM 1009 CB THR A 67 -27.109 -38.261 24.496 1.00 0.00 C ATOM 1010 OG1 THR A 67 -26.554 -39.151 25.455 1.00 0.00 O ATOM 1011 CG2 THR A 67 -28.260 -38.949 23.763 1.00 0.00 C ATOM 0 H THR A 67 -24.973 -37.208 25.227 1.00 0.00 H new ATOM 0 HA THR A 67 -25.707 -38.739 22.928 1.00 0.00 H new ATOM 0 HB THR A 67 -27.485 -37.371 25.001 1.00 0.00 H new ATOM 0 HG1 THR A 67 -27.245 -39.408 26.101 1.00 0.00 H new ATOM 0 HG21 THR A 67 -29.030 -39.234 24.480 1.00 0.00 H new ATOM 0 HG22 THR A 67 -28.684 -38.265 23.028 1.00 0.00 H new ATOM 0 HG23 THR A 67 -27.888 -39.840 23.257 1.00 0.00 H new ATOM 1019 N ALA A 68 -26.442 -35.560 22.845 1.00 0.00 N ATOM 1020 CA ALA A 68 -26.968 -34.494 21.946 1.00 0.00 C ATOM 1021 C ALA A 68 -26.137 -34.454 20.661 1.00 0.00 C ATOM 1022 O ALA A 68 -26.631 -34.122 19.602 1.00 0.00 O ATOM 1023 CB ALA A 68 -26.880 -33.141 22.654 1.00 0.00 C ATOM 0 H ALA A 68 -25.980 -35.226 23.691 1.00 0.00 H new ATOM 0 HA ALA A 68 -28.008 -34.707 21.699 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -27.265 -32.361 21.997 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -27.472 -33.170 23.569 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -25.840 -32.927 22.902 1.00 0.00 H new ATOM 1029 N ALA A 69 -24.880 -34.792 20.747 1.00 0.00 N ATOM 1030 CA ALA A 69 -24.020 -34.774 19.530 1.00 0.00 C ATOM 1031 C ALA A 69 -24.552 -35.788 18.516 1.00 0.00 C ATOM 1032 O ALA A 69 -24.487 -35.579 17.321 1.00 0.00 O ATOM 1033 CB ALA A 69 -22.585 -35.141 19.914 1.00 0.00 C ATOM 0 H ALA A 69 -24.411 -35.080 21.606 1.00 0.00 H new ATOM 0 HA ALA A 69 -24.034 -33.777 19.089 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -21.956 -35.128 19.024 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.206 -34.419 20.637 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -22.570 -36.138 20.355 1.00 0.00 H new ATOM 1039 N SER A 70 -25.080 -36.887 18.983 1.00 0.00 N ATOM 1040 CA SER A 70 -25.617 -37.913 18.045 1.00 0.00 C ATOM 1041 C SER A 70 -26.741 -37.300 17.208 1.00 0.00 C ATOM 1042 O SER A 70 -26.993 -37.712 16.093 1.00 0.00 O ATOM 1043 CB SER A 70 -26.163 -39.097 18.845 1.00 0.00 C ATOM 1044 OG SER A 70 -27.321 -38.692 19.561 1.00 0.00 O ATOM 0 H SER A 70 -25.162 -37.118 19.973 1.00 0.00 H new ATOM 0 HA SER A 70 -24.820 -38.256 17.386 1.00 0.00 H new ATOM 0 HB2 SER A 70 -26.407 -39.921 18.174 1.00 0.00 H new ATOM 0 HB3 SER A 70 -25.404 -39.463 19.537 1.00 0.00 H new ATOM 0 HG SER A 70 -27.067 -38.424 20.469 1.00 0.00 H new ATOM 1050 N MET A 71 -27.420 -36.319 17.737 1.00 0.00 N ATOM 1051 CA MET A 71 -28.528 -35.681 16.971 1.00 0.00 C ATOM 1052 C MET A 71 -28.276 -34.175 16.869 1.00 0.00 C ATOM 1053 O MET A 71 -28.790 -33.397 17.647 1.00 0.00 O ATOM 1054 CB MET A 71 -29.855 -35.928 17.692 1.00 0.00 C ATOM 1055 CG MET A 71 -30.721 -36.874 16.857 1.00 0.00 C ATOM 1056 SD MET A 71 -32.353 -37.032 17.622 1.00 0.00 S ATOM 1057 CE MET A 71 -32.394 -38.840 17.696 1.00 0.00 C ATOM 0 H MET A 71 -27.255 -35.932 18.666 1.00 0.00 H new ATOM 0 HA MET A 71 -28.573 -36.111 15.970 1.00 0.00 H new ATOM 0 HB2 MET A 71 -29.672 -36.359 18.676 1.00 0.00 H new ATOM 0 HB3 MET A 71 -30.377 -34.984 17.850 1.00 0.00 H new ATOM 0 HG2 MET A 71 -30.819 -36.492 15.841 1.00 0.00 H new ATOM 0 HG3 MET A 71 -30.245 -37.852 16.785 1.00 0.00 H new ATOM 0 HE1 MET A 71 -33.333 -39.165 18.143 1.00 0.00 H new ATOM 0 HE2 MET A 71 -32.312 -39.247 16.688 1.00 0.00 H new ATOM 0 HE3 MET A 71 -31.561 -39.198 18.301 1.00 0.00 H new ATOM 1067 N PRO A 72 -27.463 -33.763 15.886 1.00 0.00 N ATOM 1068 CA PRO A 72 -27.132 -32.348 15.672 1.00 0.00 C ATOM 1069 C PRO A 72 -28.328 -31.558 15.131 1.00 0.00 C ATOM 1070 O PRO A 72 -29.140 -32.074 14.388 1.00 0.00 O ATOM 1071 CB PRO A 72 -26.023 -32.396 14.621 1.00 0.00 C ATOM 1072 CG PRO A 72 -26.245 -33.682 13.897 1.00 0.00 C ATOM 1073 CD PRO A 72 -26.803 -34.644 14.907 1.00 0.00 C ATOM 0 HA PRO A 72 -26.842 -31.852 16.598 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -26.082 -31.544 13.943 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -25.037 -32.367 15.084 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -26.937 -33.546 13.066 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -25.312 -34.057 13.477 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -27.508 -35.340 14.453 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -26.018 -35.242 15.369 1.00 0.00 H new ATOM 1081 N PRO A 73 -28.431 -30.278 15.516 1.00 0.00 N ATOM 1082 CA PRO A 73 -29.524 -29.403 15.075 1.00 0.00 C ATOM 1083 C PRO A 73 -29.392 -29.033 13.595 1.00 0.00 C ATOM 1084 O PRO A 73 -28.303 -28.869 13.081 1.00 0.00 O ATOM 1085 CB PRO A 73 -29.355 -28.155 15.942 1.00 0.00 C ATOM 1086 CG PRO A 73 -27.911 -28.146 16.314 1.00 0.00 C ATOM 1087 CD PRO A 73 -27.489 -29.585 16.413 1.00 0.00 C ATOM 0 HA PRO A 73 -30.498 -29.881 15.178 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -29.629 -27.253 15.395 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -29.991 -28.198 16.826 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -27.320 -27.619 15.565 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -27.757 -27.630 17.262 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -26.456 -29.724 16.096 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -27.561 -29.956 17.436 1.00 0.00 H new ATOM 1095 N SER A 74 -30.491 -28.900 12.905 1.00 0.00 N ATOM 1096 CA SER A 74 -30.426 -28.541 11.461 1.00 0.00 C ATOM 1097 C SER A 74 -31.175 -27.228 11.225 1.00 0.00 C ATOM 1098 O SER A 74 -32.064 -26.868 11.970 1.00 0.00 O ATOM 1099 CB SER A 74 -31.069 -29.652 10.629 1.00 0.00 C ATOM 1100 OG SER A 74 -32.451 -29.741 10.945 1.00 0.00 O ATOM 0 H SER A 74 -31.432 -29.025 13.279 1.00 0.00 H new ATOM 0 HA SER A 74 -29.384 -28.422 11.164 1.00 0.00 H new ATOM 0 HB2 SER A 74 -30.941 -29.446 9.566 1.00 0.00 H new ATOM 0 HB3 SER A 74 -30.577 -30.603 10.831 1.00 0.00 H new ATOM 0 HG SER A 74 -32.864 -30.452 10.411 1.00 0.00 H new ATOM 1106 N ASP A 75 -30.825 -26.510 10.193 1.00 0.00 N ATOM 1107 CA ASP A 75 -31.518 -25.222 9.911 1.00 0.00 C ATOM 1108 C ASP A 75 -32.781 -25.492 9.092 1.00 0.00 C ATOM 1109 O ASP A 75 -32.723 -26.005 7.993 1.00 0.00 O ATOM 1110 CB ASP A 75 -30.584 -24.304 9.119 1.00 0.00 C ATOM 1111 CG ASP A 75 -31.243 -22.934 8.946 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -32.303 -22.733 9.513 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -30.674 -22.110 8.248 1.00 0.00 O ATOM 0 H ASP A 75 -30.089 -26.760 9.533 1.00 0.00 H new ATOM 0 HA ASP A 75 -31.790 -24.742 10.851 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.632 -24.199 9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -30.367 -24.741 8.144 1.00 0.00 H new ATOM 1118 N GLU A 76 -33.926 -25.151 9.621 1.00 0.00 N ATOM 1119 CA GLU A 76 -35.192 -25.389 8.871 1.00 0.00 C ATOM 1120 C GLU A 76 -36.027 -24.107 8.859 1.00 0.00 C ATOM 1121 O GLU A 76 -35.768 -23.263 8.017 1.00 0.00 O ATOM 1122 CB GLU A 76 -35.985 -26.507 9.551 1.00 0.00 C ATOM 1123 CG GLU A 76 -35.180 -27.807 9.500 1.00 0.00 C ATOM 1124 CD GLU A 76 -36.009 -28.944 10.103 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -37.049 -28.655 10.669 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -35.587 -30.083 9.987 1.00 0.00 O ATOM 1127 OXT GLU A 76 -36.910 -23.991 9.693 1.00 0.00 O ATOM 0 H GLU A 76 -34.039 -24.719 10.538 1.00 0.00 H new ATOM 0 HA GLU A 76 -34.958 -25.680 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -36.198 -26.239 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -36.945 -26.641 9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -34.915 -28.043 8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -34.247 -27.691 10.051 1.00 0.00 H new TER 1134 GLU A 76