USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 428 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 180:sc= 0.45 USER MOD Set 1.2: A 50 THR OG1 : rot 31:sc= 0.221 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.124 K(o=-5.7,f=-7.7!) USER MOD Set 2.2: A 33 TYR OH : rot -104:sc= -0.42 USER MOD Set 2.3: A 43 ASN : amide:sc= -5.41! C(o=-5.7!,f=-6.1!) USER MOD Single : A 4 MET CE :methyl -149:sc= -0.469 (180deg=-2.24!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -135:sc= -0.777! USER MOD Single : A 16 TYR OH : rot 66:sc= -2.93! 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 -37:sc= 1.32 USER MOD Single : A 34 ASN : amide:sc= -0.265 X(o=-0.27,f=-0.29) USER MOD Single : A 35 ASN : amide:sc= -7.15! C(o=-7.1!,f=-19!) USER MOD Single : A 38 MET CE :methyl -150:sc= -0.32 (180deg=-1.76!) USER MOD Single : A 41 HIS : no HE2:sc= 0.271 K(o=0.27,f=-3.4!) USER MOD Single : A 47 GLN : amide:sc= 0.387 K(o=0.39,f=-1.2!) USER MOD Single : A 49 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.3) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.034) 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+ 159:sc= -0.0495 (180deg=-0.385) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 -14.888 -8.800 5.729 1.00 0.00 N ATOM 42 CA MET A 4 -16.142 -8.162 5.243 1.00 0.00 C ATOM 43 C MET A 4 -16.237 -6.741 5.799 1.00 0.00 C ATOM 44 O MET A 4 -16.764 -5.851 5.161 1.00 0.00 O ATOM 45 CB MET A 4 -17.348 -8.977 5.711 1.00 0.00 C ATOM 46 CG MET A 4 -17.220 -10.413 5.200 1.00 0.00 C ATOM 47 SD MET A 4 -17.334 -10.423 3.393 1.00 0.00 S ATOM 48 CE MET A 4 -18.975 -9.670 3.263 1.00 0.00 C ATOM 0 HA MET A 4 -16.133 -8.127 4.154 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.405 -8.970 6.799 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.270 -8.528 5.341 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.269 -10.840 5.517 1.00 0.00 H new ATOM 0 HG3 MET A 4 -18.007 -11.034 5.628 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.481 -10.051 2.376 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.560 -9.918 4.149 1.00 0.00 H new ATOM 0 HE3 MET A 4 -18.874 -8.587 3.187 1.00 0.00 H new ATOM 58 N CYS A 5 -15.728 -6.515 6.980 1.00 0.00 N ATOM 59 CA CYS A 5 -15.795 -5.144 7.558 1.00 0.00 C ATOM 60 C CYS A 5 -14.691 -4.284 6.946 1.00 0.00 C ATOM 61 O CYS A 5 -14.636 -3.090 7.156 1.00 0.00 O ATOM 62 CB CYS A 5 -15.624 -5.196 9.077 1.00 0.00 C ATOM 63 SG CYS A 5 -13.905 -5.572 9.498 1.00 0.00 S ATOM 0 H CYS A 5 -15.272 -7.215 7.565 1.00 0.00 H new ATOM 0 HA CYS A 5 -16.769 -4.710 7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -15.913 -4.241 9.516 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -16.284 -5.954 9.499 1.00 0.00 H new ATOM 68 N LYS A 6 -13.810 -4.876 6.185 1.00 0.00 N ATOM 69 CA LYS A 6 -12.725 -4.073 5.560 1.00 0.00 C ATOM 70 C LYS A 6 -13.353 -2.850 4.894 1.00 0.00 C ATOM 71 O LYS A 6 -12.723 -1.826 4.720 1.00 0.00 O ATOM 72 CB LYS A 6 -11.999 -4.916 4.510 1.00 0.00 C ATOM 73 CG LYS A 6 -10.958 -5.796 5.200 1.00 0.00 C ATOM 74 CD LYS A 6 -9.946 -6.297 4.168 1.00 0.00 C ATOM 75 CE LYS A 6 -9.081 -7.393 4.792 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.841 -6.785 5.355 1.00 0.00 N ATOM 0 H LYS A 6 -13.796 -5.873 5.971 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.007 -3.760 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.713 -5.535 3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.517 -4.269 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.448 -5.230 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.446 -6.641 5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.466 -6.684 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.319 -5.473 3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.636 -7.907 5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.824 -8.141 4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.252 -7.529 5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.310 -6.314 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.096 -6.088 6.083 1.00 0.00 H new ATOM 90 N ASP A 7 -14.604 -2.952 4.535 1.00 0.00 N ATOM 91 CA ASP A 7 -15.300 -1.804 3.893 1.00 0.00 C ATOM 92 C ASP A 7 -16.381 -1.297 4.848 1.00 0.00 C ATOM 93 O ASP A 7 -17.371 -0.721 4.441 1.00 0.00 O ATOM 94 CB ASP A 7 -15.946 -2.265 2.583 1.00 0.00 C ATOM 95 CG ASP A 7 -17.015 -3.318 2.885 1.00 0.00 C ATOM 96 OD1 ASP A 7 -17.214 -3.613 4.052 1.00 0.00 O ATOM 97 OD2 ASP A 7 -17.614 -3.811 1.945 1.00 0.00 O ATOM 0 H ASP A 7 -15.176 -3.787 4.660 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.589 -1.007 3.677 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -16.393 -1.415 2.067 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -15.189 -2.680 1.918 1.00 0.00 H new ATOM 102 N TYR A 8 -16.197 -1.523 6.121 1.00 0.00 N ATOM 103 CA TYR A 8 -17.204 -1.077 7.121 1.00 0.00 C ATOM 104 C TYR A 8 -17.040 0.418 7.397 1.00 0.00 C ATOM 105 O TYR A 8 -16.022 1.010 7.101 1.00 0.00 O ATOM 106 CB TYR A 8 -16.983 -1.852 8.422 1.00 0.00 C ATOM 107 CG TYR A 8 -18.300 -2.039 9.131 1.00 0.00 C ATOM 108 CD1 TYR A 8 -18.741 -1.082 10.054 1.00 0.00 C ATOM 109 CD2 TYR A 8 -19.078 -3.170 8.867 1.00 0.00 C ATOM 110 CE1 TYR A 8 -19.962 -1.259 10.714 1.00 0.00 C ATOM 111 CE2 TYR A 8 -20.300 -3.347 9.526 1.00 0.00 C ATOM 112 CZ TYR A 8 -20.742 -2.392 10.450 1.00 0.00 C ATOM 113 OH TYR A 8 -21.945 -2.567 11.100 1.00 0.00 O ATOM 0 H TYR A 8 -15.385 -2.001 6.512 1.00 0.00 H new ATOM 0 HA TYR A 8 -18.206 -1.262 6.734 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -16.534 -2.822 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.286 -1.313 9.064 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -18.139 -0.208 10.256 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -18.736 -3.907 8.155 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -20.303 -0.522 11.427 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -20.902 -4.220 9.322 1.00 0.00 H new ATOM 0 HH TYR A 8 -22.013 -3.491 11.419 1.00 0.00 H new ATOM 123 N ARG A 9 -18.039 1.030 7.972 1.00 0.00 N ATOM 124 CA ARG A 9 -17.953 2.484 8.281 1.00 0.00 C ATOM 125 C ARG A 9 -18.776 2.775 9.535 1.00 0.00 C ATOM 126 O ARG A 9 -19.981 2.620 9.547 1.00 0.00 O ATOM 127 CB ARG A 9 -18.504 3.298 7.112 1.00 0.00 C ATOM 128 CG ARG A 9 -17.348 3.796 6.246 1.00 0.00 C ATOM 129 CD ARG A 9 -17.822 4.969 5.385 1.00 0.00 C ATOM 130 NE ARG A 9 -19.028 4.561 4.609 1.00 0.00 N ATOM 131 CZ ARG A 9 -19.530 5.366 3.714 1.00 0.00 C ATOM 132 NH1 ARG A 9 -19.580 6.650 3.945 1.00 0.00 N ATOM 133 NH2 ARG A 9 -19.983 4.889 2.587 1.00 0.00 N ATOM 0 H ARG A 9 -18.915 0.582 8.242 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.911 2.759 8.447 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.181 2.686 6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -19.083 4.143 7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.515 4.107 6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.982 2.989 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.056 5.826 6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.028 5.280 4.706 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.460 3.653 4.778 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.226 7.024 4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.973 7.279 3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.945 3.886 2.406 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.375 5.519 1.888 1.00 0.00 H new ATOM 147 N VAL A 10 -18.139 3.192 10.590 1.00 0.00 N ATOM 148 CA VAL A 10 -18.888 3.488 11.841 1.00 0.00 C ATOM 149 C VAL A 10 -18.864 4.993 12.105 1.00 0.00 C ATOM 150 O VAL A 10 -17.925 5.681 11.754 1.00 0.00 O ATOM 151 CB VAL A 10 -18.237 2.747 13.011 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.983 3.080 14.304 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.303 1.240 12.757 1.00 0.00 C ATOM 0 H VAL A 10 -17.131 3.341 10.641 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.921 3.158 11.735 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.196 3.055 13.104 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.520 2.552 15.138 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.937 4.154 14.484 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -20.024 2.771 14.213 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.840 0.710 13.589 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.344 0.932 12.665 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.772 1.003 11.835 1.00 0.00 H new ATOM 163 N LEU A 11 -19.891 5.512 12.717 1.00 0.00 N ATOM 164 CA LEU A 11 -19.933 6.974 12.998 1.00 0.00 C ATOM 165 C LEU A 11 -20.274 7.200 14.473 1.00 0.00 C ATOM 166 O LEU A 11 -20.541 6.268 15.206 1.00 0.00 O ATOM 167 CB LEU A 11 -21.002 7.623 12.118 1.00 0.00 C ATOM 168 CG LEU A 11 -20.328 8.527 11.085 1.00 0.00 C ATOM 169 CD1 LEU A 11 -19.862 7.683 9.896 1.00 0.00 C ATOM 170 CD2 LEU A 11 -21.324 9.583 10.603 1.00 0.00 C ATOM 0 H LEU A 11 -20.705 4.986 13.035 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.962 7.419 12.781 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.591 6.855 11.617 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.691 8.204 12.732 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.469 9.020 11.539 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -19.381 8.327 9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -19.151 6.931 10.240 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.721 7.189 9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -20.843 10.227 9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.184 9.091 10.149 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -21.655 10.184 11.450 1.00 0.00 H new ATOM 182 N PRO A 12 -20.267 8.468 14.914 1.00 0.00 N ATOM 183 CA PRO A 12 -20.577 8.825 16.305 1.00 0.00 C ATOM 184 C PRO A 12 -22.040 8.535 16.648 1.00 0.00 C ATOM 185 O PRO A 12 -22.399 8.372 17.797 1.00 0.00 O ATOM 186 CB PRO A 12 -20.309 10.329 16.356 1.00 0.00 C ATOM 187 CG PRO A 12 -20.469 10.783 14.946 1.00 0.00 C ATOM 188 CD PRO A 12 -19.960 9.655 14.096 1.00 0.00 C ATOM 0 HA PRO A 12 -19.986 8.253 17.020 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -21.011 10.835 17.018 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.308 10.542 16.730 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -21.513 11.002 14.721 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -19.904 11.697 14.763 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.460 9.620 13.128 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -18.892 9.746 13.900 1.00 0.00 H new ATOM 196 N ARG A 13 -22.884 8.466 15.657 1.00 0.00 N ATOM 197 CA ARG A 13 -24.321 8.180 15.920 1.00 0.00 C ATOM 198 C ARG A 13 -24.683 6.823 15.315 1.00 0.00 C ATOM 199 O ARG A 13 -25.554 6.128 15.798 1.00 0.00 O ATOM 200 CB ARG A 13 -25.182 9.268 15.278 1.00 0.00 C ATOM 201 CG ARG A 13 -24.983 10.585 16.030 1.00 0.00 C ATOM 202 CD ARG A 13 -25.877 11.661 15.414 1.00 0.00 C ATOM 203 NE ARG A 13 -27.299 11.386 15.762 1.00 0.00 N ATOM 204 CZ ARG A 13 -28.035 10.658 14.968 1.00 0.00 C ATOM 205 NH1 ARG A 13 -28.443 9.480 15.355 1.00 0.00 N ATOM 206 NH2 ARG A 13 -28.365 11.107 13.788 1.00 0.00 N ATOM 0 H ARG A 13 -22.640 8.596 14.675 1.00 0.00 H new ATOM 0 HA ARG A 13 -24.500 8.162 16.995 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -24.910 9.391 14.230 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -26.232 8.978 15.303 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -25.226 10.455 17.085 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -23.938 10.891 15.979 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -25.586 12.645 15.781 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -25.753 11.676 14.331 1.00 0.00 H new ATOM 0 HE ARG A 13 -27.697 11.767 16.621 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -28.186 9.129 16.278 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -29.018 8.910 14.735 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -28.047 12.028 13.486 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -28.940 10.537 13.168 1.00 0.00 H new ATOM 220 N ILE A 14 -24.017 6.441 14.260 1.00 0.00 N ATOM 221 CA ILE A 14 -24.318 5.130 13.621 1.00 0.00 C ATOM 222 C ILE A 14 -23.657 4.009 14.426 1.00 0.00 C ATOM 223 O ILE A 14 -24.241 2.967 14.655 1.00 0.00 O ATOM 224 CB ILE A 14 -23.771 5.120 12.192 1.00 0.00 C ATOM 225 CG1 ILE A 14 -24.479 6.196 11.367 1.00 0.00 C ATOM 226 CG2 ILE A 14 -24.017 3.749 11.560 1.00 0.00 C ATOM 227 CD1 ILE A 14 -23.771 6.356 10.020 1.00 0.00 C ATOM 0 H ILE A 14 -23.276 6.981 13.813 1.00 0.00 H new ATOM 0 HA ILE A 14 -25.397 4.976 13.598 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.700 5.323 12.212 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -25.522 5.922 11.211 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -24.476 7.143 11.906 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.627 3.742 10.542 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.512 2.982 12.147 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -25.087 3.544 11.540 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -24.276 7.123 9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -22.735 6.650 10.186 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -23.797 5.409 9.480 1.00 0.00 H new ATOM 239 N GLY A 15 -22.443 4.214 14.859 1.00 0.00 N ATOM 240 CA GLY A 15 -21.744 3.161 15.648 1.00 0.00 C ATOM 241 C GLY A 15 -21.534 1.923 14.773 1.00 0.00 C ATOM 242 O GLY A 15 -21.412 2.019 13.567 1.00 0.00 O ATOM 0 H GLY A 15 -21.905 5.066 14.700 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.784 3.535 16.004 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.331 2.902 16.529 1.00 0.00 H new ATOM 246 N TYR A 16 -21.494 0.763 15.367 1.00 0.00 N ATOM 247 CA TYR A 16 -21.295 -0.475 14.562 1.00 0.00 C ATOM 248 C TYR A 16 -22.635 -1.196 14.401 1.00 0.00 C ATOM 249 O TYR A 16 -23.485 -1.148 15.268 1.00 0.00 O ATOM 250 CB TYR A 16 -20.301 -1.397 15.272 1.00 0.00 C ATOM 251 CG TYR A 16 -19.417 -2.060 14.242 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.925 -3.093 13.445 1.00 0.00 C ATOM 253 CD2 TYR A 16 -18.093 -1.637 14.080 1.00 0.00 C ATOM 254 CE1 TYR A 16 -19.110 -3.705 12.487 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.277 -2.247 13.120 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.785 -3.282 12.324 1.00 0.00 C ATOM 257 OH TYR A 16 -16.981 -3.880 11.377 1.00 0.00 O ATOM 0 H TYR A 16 -21.590 0.618 16.372 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.902 -0.210 13.580 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.695 -0.826 15.975 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.835 -2.151 15.850 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.947 -3.418 13.570 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.701 -0.841 14.695 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.502 -4.503 11.874 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.256 -1.920 12.993 1.00 0.00 H new ATOM 0 HH TYR A 16 -17.326 -3.680 10.482 1.00 0.00 H new ATOM 267 N LEU A 17 -22.836 -1.859 13.296 1.00 0.00 N ATOM 268 CA LEU A 17 -24.125 -2.574 13.083 1.00 0.00 C ATOM 269 C LEU A 17 -23.883 -4.084 13.043 1.00 0.00 C ATOM 270 O LEU A 17 -23.101 -4.578 12.256 1.00 0.00 O ATOM 271 CB LEU A 17 -24.748 -2.121 11.761 1.00 0.00 C ATOM 272 CG LEU A 17 -25.325 -0.714 11.923 1.00 0.00 C ATOM 273 CD1 LEU A 17 -25.985 -0.280 10.614 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.367 -0.714 13.043 1.00 0.00 C ATOM 0 H LEU A 17 -22.164 -1.936 12.532 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.803 -2.342 13.904 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.997 -2.128 10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -25.533 -2.815 11.460 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.523 -0.020 12.174 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -26.396 0.723 10.729 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.243 -0.278 9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.787 -0.975 10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -26.778 0.289 13.158 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -27.169 -1.408 12.793 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.897 -1.023 13.977 1.00 0.00 H new ATOM 286 N CYS A 18 -24.557 -4.819 13.885 1.00 0.00 N ATOM 287 CA CYS A 18 -24.379 -6.299 13.901 1.00 0.00 C ATOM 288 C CYS A 18 -25.746 -6.964 14.077 1.00 0.00 C ATOM 289 O CYS A 18 -26.672 -6.368 14.591 1.00 0.00 O ATOM 290 CB CYS A 18 -23.464 -6.692 15.064 1.00 0.00 C ATOM 291 SG CYS A 18 -21.894 -5.806 14.915 1.00 0.00 S ATOM 0 H CYS A 18 -25.226 -4.457 14.565 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.929 -6.626 12.964 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.941 -6.452 16.014 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.290 -7.768 15.057 1.00 0.00 H new ATOM 296 N PRO A 19 -25.874 -8.225 13.641 1.00 0.00 N ATOM 297 CA PRO A 19 -27.131 -8.974 13.748 1.00 0.00 C ATOM 298 C PRO A 19 -27.445 -9.347 15.199 1.00 0.00 C ATOM 299 O PRO A 19 -26.608 -9.238 16.073 1.00 0.00 O ATOM 300 CB PRO A 19 -26.873 -10.233 12.923 1.00 0.00 C ATOM 301 CG PRO A 19 -25.391 -10.402 12.941 1.00 0.00 C ATOM 302 CD PRO A 19 -24.804 -9.017 13.011 1.00 0.00 C ATOM 0 HA PRO A 19 -27.985 -8.394 13.399 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.375 -11.099 13.355 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -27.246 -10.122 11.905 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -25.079 -10.999 13.798 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -25.049 -10.924 12.047 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.889 -8.998 13.602 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.552 -8.637 12.021 1.00 0.00 H new ATOM 310 N LYS A 20 -28.647 -9.782 15.464 1.00 0.00 N ATOM 311 CA LYS A 20 -29.014 -10.154 16.860 1.00 0.00 C ATOM 312 C LYS A 20 -28.665 -11.621 17.111 1.00 0.00 C ATOM 313 O LYS A 20 -28.641 -12.080 18.236 1.00 0.00 O ATOM 314 CB LYS A 20 -30.516 -9.945 17.063 1.00 0.00 C ATOM 315 CG LYS A 20 -30.865 -8.479 16.801 1.00 0.00 C ATOM 316 CD LYS A 20 -32.351 -8.248 17.080 1.00 0.00 C ATOM 317 CE LYS A 20 -32.704 -6.790 16.784 1.00 0.00 C ATOM 318 NZ LYS A 20 -34.164 -6.578 16.996 1.00 0.00 N ATOM 0 H LYS A 20 -29.390 -9.896 14.775 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.460 -9.527 17.559 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -31.079 -10.590 16.388 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.799 -10.222 18.079 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.260 -7.832 17.436 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.634 -8.218 15.768 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.956 -8.912 16.463 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.578 -8.485 18.120 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.132 -6.127 17.433 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -32.435 -6.541 15.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -34.404 -5.586 16.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.701 -7.200 16.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -34.407 -6.799 17.983 1.00 0.00 H new ATOM 332 N ASP A 21 -28.391 -12.363 16.074 1.00 0.00 N ATOM 333 CA ASP A 21 -28.042 -13.799 16.258 1.00 0.00 C ATOM 334 C ASP A 21 -26.623 -13.909 16.821 1.00 0.00 C ATOM 335 O ASP A 21 -25.678 -13.410 16.244 1.00 0.00 O ATOM 336 CB ASP A 21 -28.111 -14.516 14.910 1.00 0.00 C ATOM 337 CG ASP A 21 -29.492 -14.303 14.288 1.00 0.00 C ATOM 338 OD1 ASP A 21 -30.385 -13.881 15.005 1.00 0.00 O ATOM 339 OD2 ASP A 21 -29.633 -14.565 13.104 1.00 0.00 O ATOM 0 H ASP A 21 -28.394 -12.037 15.108 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.746 -14.259 16.951 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -27.338 -14.135 14.243 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.921 -15.581 15.043 1.00 0.00 H new ATOM 344 N LEU A 22 -26.466 -14.560 17.942 1.00 0.00 N ATOM 345 CA LEU A 22 -25.105 -14.697 18.533 1.00 0.00 C ATOM 346 C LEU A 22 -24.354 -15.827 17.829 1.00 0.00 C ATOM 347 O LEU A 22 -24.760 -16.972 17.860 1.00 0.00 O ATOM 348 CB LEU A 22 -25.220 -15.015 20.025 1.00 0.00 C ATOM 349 CG LEU A 22 -23.816 -15.111 20.629 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.044 -13.824 20.336 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.923 -15.308 22.142 1.00 0.00 C ATOM 0 H LEU A 22 -27.218 -15.001 18.472 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.561 -13.761 18.404 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.794 -14.239 20.531 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -25.756 -15.953 20.169 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.290 -15.958 20.189 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.045 -13.893 20.766 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.966 -13.684 19.258 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.570 -12.976 20.775 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.924 -15.376 22.572 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.450 -14.462 22.583 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.471 -16.226 22.351 1.00 0.00 H new ATOM 363 N LYS A 23 -23.258 -15.513 17.197 1.00 0.00 N ATOM 364 CA LYS A 23 -22.474 -16.563 16.491 1.00 0.00 C ATOM 365 C LYS A 23 -21.018 -16.499 16.954 1.00 0.00 C ATOM 366 O LYS A 23 -20.253 -15.670 16.506 1.00 0.00 O ATOM 367 CB LYS A 23 -22.545 -16.320 14.983 1.00 0.00 C ATOM 368 CG LYS A 23 -23.612 -17.225 14.372 1.00 0.00 C ATOM 369 CD LYS A 23 -23.371 -17.355 12.867 1.00 0.00 C ATOM 370 CE LYS A 23 -23.673 -18.787 12.422 1.00 0.00 C ATOM 371 NZ LYS A 23 -25.146 -19.012 12.440 1.00 0.00 N ATOM 0 H LYS A 23 -22.871 -14.571 17.139 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.885 -17.547 16.718 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.781 -15.275 14.783 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.576 -16.521 14.525 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -23.583 -18.208 14.842 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.604 -16.812 14.558 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -24.005 -16.653 12.325 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.338 -17.100 12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.280 -18.958 11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.178 -19.497 13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -25.352 -19.985 12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -25.508 -18.865 13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -25.607 -18.343 11.791 1.00 0.00 H new ATOM 385 N PRO A 24 -20.635 -17.396 17.876 1.00 0.00 N ATOM 386 CA PRO A 24 -19.272 -17.446 18.422 1.00 0.00 C ATOM 387 C PRO A 24 -18.237 -17.800 17.355 1.00 0.00 C ATOM 388 O PRO A 24 -18.275 -18.860 16.765 1.00 0.00 O ATOM 389 CB PRO A 24 -19.349 -18.555 19.475 1.00 0.00 C ATOM 390 CG PRO A 24 -20.491 -19.401 19.031 1.00 0.00 C ATOM 391 CD PRO A 24 -21.494 -18.445 18.453 1.00 0.00 C ATOM 0 HA PRO A 24 -18.958 -16.482 18.822 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.423 -19.128 19.519 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.519 -18.147 20.471 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.173 -20.133 18.289 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.915 -19.958 19.866 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.119 -18.920 17.697 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.163 -18.048 19.216 1.00 0.00 H new ATOM 399 N VAL A 25 -17.313 -16.916 17.101 1.00 0.00 N ATOM 400 CA VAL A 25 -16.276 -17.202 16.072 1.00 0.00 C ATOM 401 C VAL A 25 -14.906 -17.299 16.740 1.00 0.00 C ATOM 402 O VAL A 25 -14.673 -16.734 17.790 1.00 0.00 O ATOM 403 CB VAL A 25 -16.239 -16.069 15.044 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.642 -15.824 14.491 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.728 -14.792 15.716 1.00 0.00 C ATOM 0 H VAL A 25 -17.231 -16.009 17.561 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.519 -18.142 15.578 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.574 -16.347 14.226 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.609 -15.016 13.760 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -18.008 -16.732 14.012 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.311 -15.548 15.306 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.700 -13.983 14.986 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.394 -14.520 16.535 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.725 -14.963 16.106 1.00 0.00 H new ATOM 415 N CYS A 26 -13.989 -17.995 16.129 1.00 0.00 N ATOM 416 CA CYS A 26 -12.628 -18.108 16.721 1.00 0.00 C ATOM 417 C CYS A 26 -11.728 -17.049 16.084 1.00 0.00 C ATOM 418 O CYS A 26 -11.789 -16.807 14.897 1.00 0.00 O ATOM 419 CB CYS A 26 -12.052 -19.501 16.446 1.00 0.00 C ATOM 420 SG CYS A 26 -10.365 -19.596 17.094 1.00 0.00 S ATOM 0 H CYS A 26 -14.123 -18.490 15.247 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.682 -17.956 17.799 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.676 -20.263 16.914 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.053 -19.702 15.375 1.00 0.00 H new ATOM 425 N GLY A 27 -10.900 -16.411 16.860 1.00 0.00 N ATOM 426 CA GLY A 27 -10.004 -15.366 16.292 1.00 0.00 C ATOM 427 C GLY A 27 -8.672 -16.002 15.895 1.00 0.00 C ATOM 428 O GLY A 27 -8.110 -16.796 16.624 1.00 0.00 O ATOM 0 H GLY A 27 -10.804 -16.567 17.863 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.472 -14.903 15.423 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.839 -14.576 17.024 1.00 0.00 H new ATOM 432 N ASP A 28 -8.159 -15.660 14.745 1.00 0.00 N ATOM 433 CA ASP A 28 -6.861 -16.249 14.307 1.00 0.00 C ATOM 434 C ASP A 28 -5.734 -15.712 15.192 1.00 0.00 C ATOM 435 O ASP A 28 -4.605 -16.154 15.111 1.00 0.00 O ATOM 436 CB ASP A 28 -6.597 -15.868 12.848 1.00 0.00 C ATOM 437 CG ASP A 28 -5.335 -16.579 12.355 1.00 0.00 C ATOM 438 OD1 ASP A 28 -4.876 -17.476 13.042 1.00 0.00 O ATOM 439 OD2 ASP A 28 -4.849 -16.212 11.296 1.00 0.00 O ATOM 0 H ASP A 28 -8.581 -15.000 14.091 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.903 -17.335 14.395 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.450 -16.146 12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.477 -14.788 12.759 1.00 0.00 H new ATOM 444 N ASP A 29 -6.032 -14.768 16.041 1.00 0.00 N ATOM 445 CA ASP A 29 -4.978 -14.210 16.935 1.00 0.00 C ATOM 446 C ASP A 29 -4.931 -15.019 18.232 1.00 0.00 C ATOM 447 O ASP A 29 -4.181 -14.713 19.139 1.00 0.00 O ATOM 448 CB ASP A 29 -5.304 -12.750 17.257 1.00 0.00 C ATOM 449 CG ASP A 29 -6.623 -12.680 18.028 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.167 -13.730 18.329 1.00 0.00 O ATOM 451 OD2 ASP A 29 -7.068 -11.579 18.304 1.00 0.00 O ATOM 0 H ASP A 29 -6.959 -14.359 16.155 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.010 -14.265 16.436 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.501 -12.309 17.848 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.377 -12.171 16.336 1.00 0.00 H new ATOM 456 N GLY A 30 -5.726 -16.050 18.332 1.00 0.00 N ATOM 457 CA GLY A 30 -5.725 -16.875 19.572 1.00 0.00 C ATOM 458 C GLY A 30 -6.846 -16.397 20.498 1.00 0.00 C ATOM 459 O GLY A 30 -6.864 -16.700 21.674 1.00 0.00 O ATOM 0 H GLY A 30 -6.376 -16.356 17.608 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.867 -17.927 19.323 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.762 -16.794 20.076 1.00 0.00 H new ATOM 463 N GLN A 31 -7.780 -15.650 19.976 1.00 0.00 N ATOM 464 CA GLN A 31 -8.899 -15.151 20.826 1.00 0.00 C ATOM 465 C GLN A 31 -10.232 -15.626 20.249 1.00 0.00 C ATOM 466 O GLN A 31 -10.277 -16.327 19.259 1.00 0.00 O ATOM 467 CB GLN A 31 -8.878 -13.623 20.854 1.00 0.00 C ATOM 468 CG GLN A 31 -7.797 -13.141 21.822 1.00 0.00 C ATOM 469 CD GLN A 31 -7.510 -11.660 21.568 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.194 -11.021 20.792 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.522 -11.082 22.194 1.00 0.00 N ATOM 0 H GLN A 31 -7.817 -15.363 18.998 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.781 -15.537 21.839 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.685 -13.234 19.854 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.852 -13.242 21.162 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.124 -13.288 22.851 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.887 -13.727 21.689 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.948 -11.618 22.845 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.324 -10.095 22.032 1.00 0.00 H new ATOM 480 N THR A 32 -11.320 -15.246 20.860 1.00 0.00 N ATOM 481 CA THR A 32 -12.654 -15.670 20.352 1.00 0.00 C ATOM 482 C THR A 32 -13.654 -14.527 20.540 1.00 0.00 C ATOM 483 O THR A 32 -13.662 -13.857 21.553 1.00 0.00 O ATOM 484 CB THR A 32 -13.129 -16.896 21.132 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.074 -17.844 21.211 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.328 -17.520 20.419 1.00 0.00 C ATOM 0 H THR A 32 -11.342 -14.658 21.693 1.00 0.00 H new ATOM 0 HA THR A 32 -12.580 -15.920 19.294 1.00 0.00 H new ATOM 0 HB THR A 32 -13.423 -16.597 22.138 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.571 -17.844 20.370 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.667 -18.394 20.975 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.136 -16.791 20.361 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.037 -17.820 19.412 1.00 0.00 H new ATOM 494 N TYR A 33 -14.498 -14.299 19.572 1.00 0.00 N ATOM 495 CA TYR A 33 -15.494 -13.200 19.698 1.00 0.00 C ATOM 496 C TYR A 33 -16.902 -13.791 19.705 1.00 0.00 C ATOM 497 O TYR A 33 -17.234 -14.644 18.906 1.00 0.00 O ATOM 498 CB TYR A 33 -15.340 -12.240 18.518 1.00 0.00 C ATOM 499 CG TYR A 33 -13.896 -11.810 18.416 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.968 -12.629 17.764 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.485 -10.594 18.977 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.628 -12.233 17.669 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.145 -10.199 18.884 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.217 -11.018 18.231 1.00 0.00 C ATOM 505 OH TYR A 33 -9.896 -10.627 18.139 1.00 0.00 O ATOM 0 H TYR A 33 -14.541 -14.826 18.700 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.328 -12.657 20.628 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.654 -12.726 17.594 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.983 -11.370 18.655 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -13.285 -13.567 17.334 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.201 -9.962 19.481 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.912 -12.864 17.163 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.827 -9.262 19.316 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.453 -10.767 19.002 1.00 0.00 H new ATOM 515 N ASN A 34 -17.733 -13.349 20.607 1.00 0.00 N ATOM 516 CA ASN A 34 -19.115 -13.891 20.671 1.00 0.00 C ATOM 517 C ASN A 34 -19.793 -13.735 19.308 1.00 0.00 C ATOM 518 O ASN A 34 -19.888 -14.672 18.547 1.00 0.00 O ATOM 519 CB ASN A 34 -19.908 -13.143 21.748 1.00 0.00 C ATOM 520 CG ASN A 34 -19.024 -12.947 22.980 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.421 -13.884 23.464 1.00 0.00 O ATOM 522 ND2 ASN A 34 -18.921 -11.759 23.510 1.00 0.00 N ATOM 0 H ASN A 34 -17.513 -12.636 21.302 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.081 -14.950 20.927 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.240 -12.177 21.367 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.803 -13.706 22.014 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -18.334 -11.616 24.332 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -19.428 -10.973 23.103 1.00 0.00 H new ATOM 529 N ASN A 35 -20.264 -12.563 18.993 1.00 0.00 N ATOM 530 CA ASN A 35 -20.933 -12.356 17.675 1.00 0.00 C ATOM 531 C ASN A 35 -19.873 -12.121 16.594 1.00 0.00 C ATOM 532 O ASN A 35 -18.844 -11.527 16.844 1.00 0.00 O ATOM 533 CB ASN A 35 -21.861 -11.141 17.772 1.00 0.00 C ATOM 534 CG ASN A 35 -22.436 -10.805 16.396 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.709 -10.462 15.486 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.725 -10.890 16.206 1.00 0.00 N ATOM 0 H ASN A 35 -20.216 -11.737 19.590 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.517 -13.238 17.412 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.671 -11.348 18.472 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.312 -10.285 18.164 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.122 -10.668 15.293 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.335 -11.178 16.971 1.00 0.00 H new ATOM 543 N PRO A 36 -20.137 -12.590 15.362 1.00 0.00 N ATOM 544 CA PRO A 36 -19.212 -12.422 14.232 1.00 0.00 C ATOM 545 C PRO A 36 -19.025 -10.947 13.871 1.00 0.00 C ATOM 546 O PRO A 36 -17.915 -10.460 13.788 1.00 0.00 O ATOM 547 CB PRO A 36 -19.902 -13.174 13.091 1.00 0.00 C ATOM 548 CG PRO A 36 -21.342 -13.170 13.472 1.00 0.00 C ATOM 549 CD PRO A 36 -21.353 -13.317 14.966 1.00 0.00 C ATOM 0 HA PRO A 36 -18.213 -12.796 14.454 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.742 -12.679 12.133 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.518 -14.190 12.993 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.829 -12.245 13.164 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -21.879 -13.988 12.992 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.249 -12.883 15.411 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.319 -14.363 15.272 1.00 0.00 H new ATOM 557 N CYS A 37 -20.095 -10.225 13.675 1.00 0.00 N ATOM 558 CA CYS A 37 -19.950 -8.781 13.345 1.00 0.00 C ATOM 559 C CYS A 37 -19.260 -8.098 14.526 1.00 0.00 C ATOM 560 O CYS A 37 -18.602 -7.087 14.382 1.00 0.00 O ATOM 561 CB CYS A 37 -21.331 -8.162 13.114 1.00 0.00 C ATOM 562 SG CYS A 37 -21.194 -6.356 13.104 1.00 0.00 S ATOM 0 H CYS A 37 -21.054 -10.569 13.729 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.360 -8.653 12.437 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.743 -8.511 12.167 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -22.019 -8.480 13.897 1.00 0.00 H new ATOM 567 N MET A 38 -19.401 -8.665 15.692 1.00 0.00 N ATOM 568 CA MET A 38 -18.752 -8.085 16.899 1.00 0.00 C ATOM 569 C MET A 38 -17.241 -8.331 16.826 1.00 0.00 C ATOM 570 O MET A 38 -16.491 -7.898 17.679 1.00 0.00 O ATOM 571 CB MET A 38 -19.320 -8.765 18.147 1.00 0.00 C ATOM 572 CG MET A 38 -20.623 -8.074 18.557 1.00 0.00 C ATOM 573 SD MET A 38 -20.278 -6.355 19.007 1.00 0.00 S ATOM 574 CE MET A 38 -19.171 -6.700 20.395 1.00 0.00 C ATOM 0 H MET A 38 -19.943 -9.513 15.861 1.00 0.00 H new ATOM 0 HA MET A 38 -18.945 -7.013 16.946 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.503 -9.821 17.947 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.598 -8.715 18.962 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.340 -8.110 17.737 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.076 -8.598 19.399 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.249 -5.899 21.130 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.452 -7.646 20.858 1.00 0.00 H new ATOM 0 HE3 MET A 38 -18.144 -6.763 20.035 1.00 0.00 H new ATOM 584 N LEU A 39 -16.790 -9.023 15.814 1.00 0.00 N ATOM 585 CA LEU A 39 -15.332 -9.297 15.684 1.00 0.00 C ATOM 586 C LEU A 39 -14.621 -8.024 15.238 1.00 0.00 C ATOM 587 O LEU A 39 -13.759 -7.512 15.925 1.00 0.00 O ATOM 588 CB LEU A 39 -15.115 -10.400 14.643 1.00 0.00 C ATOM 589 CG LEU A 39 -13.634 -10.462 14.260 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.794 -10.698 15.515 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.412 -11.612 13.275 1.00 0.00 C ATOM 0 H LEU A 39 -17.371 -9.411 15.071 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.929 -9.621 16.644 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.438 -11.361 15.044 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.722 -10.204 13.759 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.338 -9.522 13.795 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.739 -10.742 15.244 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.954 -9.881 16.219 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.089 -11.639 15.979 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.358 -11.658 13.001 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.707 -12.552 13.741 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.013 -11.446 12.381 1.00 0.00 H new ATOM 603 N CYS A 40 -14.976 -7.498 14.100 1.00 0.00 N ATOM 604 CA CYS A 40 -14.314 -6.251 13.636 1.00 0.00 C ATOM 605 C CYS A 40 -14.488 -5.181 14.713 1.00 0.00 C ATOM 606 O CYS A 40 -13.694 -4.271 14.836 1.00 0.00 O ATOM 607 CB CYS A 40 -14.943 -5.777 12.326 1.00 0.00 C ATOM 608 SG CYS A 40 -13.707 -4.859 11.373 1.00 0.00 S ATOM 0 H CYS A 40 -15.690 -7.875 13.476 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.254 -6.438 13.461 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.303 -6.630 11.751 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -15.806 -5.144 12.531 1.00 0.00 H new ATOM 613 N HIS A 41 -15.520 -5.299 15.507 1.00 0.00 N ATOM 614 CA HIS A 41 -15.745 -4.304 16.591 1.00 0.00 C ATOM 615 C HIS A 41 -14.561 -4.356 17.553 1.00 0.00 C ATOM 616 O HIS A 41 -13.892 -3.368 17.786 1.00 0.00 O ATOM 617 CB HIS A 41 -17.028 -4.654 17.346 1.00 0.00 C ATOM 618 CG HIS A 41 -17.562 -3.423 18.027 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.942 -2.292 17.322 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.786 -3.131 19.351 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.369 -1.381 18.216 1.00 0.00 C ATOM 622 NE2 HIS A 41 -18.295 -1.841 19.467 1.00 0.00 N ATOM 0 H HIS A 41 -16.216 -6.043 15.450 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.839 -3.305 16.166 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.772 -5.052 16.656 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.828 -5.432 18.083 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -17.905 -2.172 16.310 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.596 -3.801 20.176 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.728 -0.397 17.953 1.00 0.00 H new ATOM 630 N GLU A 42 -14.288 -5.507 18.104 1.00 0.00 N ATOM 631 CA GLU A 42 -13.135 -5.625 19.035 1.00 0.00 C ATOM 632 C GLU A 42 -11.855 -5.346 18.251 1.00 0.00 C ATOM 633 O GLU A 42 -10.829 -5.008 18.808 1.00 0.00 O ATOM 634 CB GLU A 42 -13.088 -7.040 19.612 1.00 0.00 C ATOM 635 CG GLU A 42 -12.168 -7.066 20.833 1.00 0.00 C ATOM 636 CD GLU A 42 -12.258 -8.434 21.512 1.00 0.00 C ATOM 637 OE1 GLU A 42 -13.195 -9.158 21.218 1.00 0.00 O ATOM 638 OE2 GLU A 42 -11.390 -8.735 22.315 1.00 0.00 O ATOM 0 H GLU A 42 -14.813 -6.368 17.949 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.235 -4.913 19.854 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.091 -7.363 19.893 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.728 -7.739 18.858 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.140 -6.865 20.531 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.454 -6.281 21.533 1.00 0.00 H new ATOM 645 N ASN A 43 -11.917 -5.479 16.954 1.00 0.00 N ATOM 646 CA ASN A 43 -10.715 -5.217 16.116 1.00 0.00 C ATOM 647 C ASN A 43 -10.552 -3.708 15.937 1.00 0.00 C ATOM 648 O ASN A 43 -9.456 -3.204 15.794 1.00 0.00 O ATOM 649 CB ASN A 43 -10.892 -5.876 14.746 1.00 0.00 C ATOM 650 CG ASN A 43 -10.951 -7.396 14.914 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.497 -7.928 15.908 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.494 -8.122 13.976 1.00 0.00 N ATOM 0 H ASN A 43 -12.751 -5.759 16.438 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.831 -5.629 16.602 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.806 -5.516 14.273 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.065 -5.604 14.090 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.538 -9.136 14.077 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.875 -7.676 13.142 1.00 0.00 H new ATOM 659 N LEU A 44 -11.636 -2.981 15.949 1.00 0.00 N ATOM 660 CA LEU A 44 -11.545 -1.504 15.788 1.00 0.00 C ATOM 661 C LEU A 44 -10.811 -0.912 16.992 1.00 0.00 C ATOM 662 O LEU A 44 -10.049 0.026 16.869 1.00 0.00 O ATOM 663 CB LEU A 44 -12.954 -0.915 15.712 1.00 0.00 C ATOM 664 CG LEU A 44 -12.887 0.502 15.140 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.134 1.411 16.115 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.154 0.476 13.797 1.00 0.00 C ATOM 0 H LEU A 44 -12.581 -3.347 16.064 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.002 -1.266 14.874 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.588 -1.542 15.085 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.406 -0.897 16.704 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.898 0.883 14.995 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.086 2.421 15.708 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.656 1.430 17.072 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.123 1.030 16.261 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.106 1.486 13.389 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.143 0.095 13.942 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.690 -0.171 13.102 1.00 0.00 H new ATOM 678 N ILE A 45 -11.036 -1.456 18.156 1.00 0.00 N ATOM 679 CA ILE A 45 -10.351 -0.929 19.369 1.00 0.00 C ATOM 680 C ILE A 45 -8.922 -1.470 19.418 1.00 0.00 C ATOM 681 O ILE A 45 -7.996 -0.772 19.783 1.00 0.00 O ATOM 682 CB ILE A 45 -11.110 -1.375 20.623 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.607 -1.473 20.312 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.885 -0.353 21.740 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.397 -1.594 21.618 1.00 0.00 C ATOM 0 H ILE A 45 -11.665 -2.243 18.319 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.329 0.160 19.330 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.745 -2.351 20.941 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.932 -0.592 19.759 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.801 -2.337 19.677 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.424 -0.667 22.634 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.820 -0.286 21.963 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.251 0.623 21.420 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.462 -1.664 21.394 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.080 -2.489 22.154 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.213 -0.716 22.237 1.00 0.00 H new ATOM 697 N ARG A 46 -8.731 -2.708 19.050 1.00 0.00 N ATOM 698 CA ARG A 46 -7.360 -3.289 19.073 1.00 0.00 C ATOM 699 C ARG A 46 -6.597 -2.842 17.824 1.00 0.00 C ATOM 700 O ARG A 46 -5.397 -2.655 17.848 1.00 0.00 O ATOM 701 CB ARG A 46 -7.449 -4.816 19.093 1.00 0.00 C ATOM 702 CG ARG A 46 -8.159 -5.271 20.369 1.00 0.00 C ATOM 703 CD ARG A 46 -8.169 -6.800 20.425 1.00 0.00 C ATOM 704 NE ARG A 46 -9.001 -7.248 21.577 1.00 0.00 N ATOM 705 CZ ARG A 46 -8.884 -6.658 22.734 1.00 0.00 C ATOM 706 NH1 ARG A 46 -8.248 -7.253 23.708 1.00 0.00 N ATOM 707 NH2 ARG A 46 -9.401 -5.474 22.920 1.00 0.00 N ATOM 0 H ARG A 46 -9.466 -3.341 18.735 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.837 -2.945 19.965 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.992 -5.170 18.217 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.450 -5.249 19.046 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.651 -4.867 21.245 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.179 -4.888 20.387 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.567 -7.206 19.495 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.152 -7.178 20.528 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.662 -8.016 21.461 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.844 -8.178 23.563 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.156 -6.792 24.613 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.897 -5.009 22.160 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.309 -5.014 23.826 1.00 0.00 H new ATOM 721 N GLN A 47 -7.287 -2.669 16.731 1.00 0.00 N ATOM 722 CA GLN A 47 -6.609 -2.236 15.477 1.00 0.00 C ATOM 723 C GLN A 47 -5.585 -3.292 15.057 1.00 0.00 C ATOM 724 O GLN A 47 -4.493 -2.977 14.627 1.00 0.00 O ATOM 725 CB GLN A 47 -5.898 -0.901 15.715 1.00 0.00 C ATOM 726 CG GLN A 47 -6.939 0.193 15.960 1.00 0.00 C ATOM 727 CD GLN A 47 -7.551 0.626 14.626 1.00 0.00 C ATOM 728 OE1 GLN A 47 -6.860 0.731 13.632 1.00 0.00 O ATOM 729 NE2 GLN A 47 -8.829 0.884 14.562 1.00 0.00 N ATOM 0 H GLN A 47 -8.294 -2.809 16.652 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.351 -2.117 14.687 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.229 -0.980 16.572 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.282 -0.646 14.853 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.719 -0.175 16.627 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.475 1.047 16.453 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.409 0.796 15.396 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.247 1.174 13.678 1.00 0.00 H new ATOM 738 N THR A 48 -5.928 -4.546 15.178 1.00 0.00 N ATOM 739 CA THR A 48 -4.973 -5.620 14.783 1.00 0.00 C ATOM 740 C THR A 48 -5.523 -6.377 13.572 1.00 0.00 C ATOM 741 O THR A 48 -5.006 -7.405 13.184 1.00 0.00 O ATOM 742 CB THR A 48 -4.787 -6.595 15.948 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.966 -7.372 16.106 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.512 -5.814 17.233 1.00 0.00 C ATOM 0 H THR A 48 -6.827 -4.872 15.533 1.00 0.00 H new ATOM 0 HA THR A 48 -4.013 -5.171 14.526 1.00 0.00 H new ATOM 0 HB THR A 48 -3.943 -7.253 15.739 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.848 -7.998 16.851 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.380 -6.511 18.061 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.606 -5.220 17.111 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.353 -5.154 17.445 1.00 0.00 H new ATOM 752 N ASN A 49 -6.570 -5.878 12.972 1.00 0.00 N ATOM 753 CA ASN A 49 -7.151 -6.572 11.787 1.00 0.00 C ATOM 754 C ASN A 49 -7.253 -8.073 12.072 1.00 0.00 C ATOM 755 O ASN A 49 -6.687 -8.889 11.371 1.00 0.00 O ATOM 756 CB ASN A 49 -6.252 -6.346 10.570 1.00 0.00 C ATOM 757 CG ASN A 49 -6.054 -4.845 10.354 1.00 0.00 C ATOM 758 OD1 ASN A 49 -6.861 -4.045 10.786 1.00 0.00 O ATOM 759 ND2 ASN A 49 -5.008 -4.424 9.697 1.00 0.00 N ATOM 0 H ASN A 49 -7.048 -5.021 13.251 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.144 -6.172 11.585 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.288 -6.833 10.721 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.701 -6.796 9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.868 -3.425 9.547 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.330 -5.094 9.334 1.00 0.00 H new ATOM 766 N THR A 50 -7.969 -8.445 13.098 1.00 0.00 N ATOM 767 CA THR A 50 -8.105 -9.892 13.428 1.00 0.00 C ATOM 768 C THR A 50 -9.159 -10.532 12.524 1.00 0.00 C ATOM 769 O THR A 50 -10.210 -9.973 12.286 1.00 0.00 O ATOM 770 CB THR A 50 -8.537 -10.044 14.888 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.600 -9.386 15.729 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.599 -11.529 15.252 1.00 0.00 C ATOM 0 H THR A 50 -8.466 -7.809 13.722 1.00 0.00 H new ATOM 0 HA THR A 50 -7.146 -10.386 13.274 1.00 0.00 H new ATOM 0 HB THR A 50 -9.522 -9.598 15.024 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.215 -8.620 15.254 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.907 -11.636 16.292 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.319 -12.032 14.607 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.615 -11.978 15.117 1.00 0.00 H new ATOM 780 N HIS A 51 -8.890 -11.709 12.027 1.00 0.00 N ATOM 781 CA HIS A 51 -9.882 -12.390 11.149 1.00 0.00 C ATOM 782 C HIS A 51 -10.452 -13.601 11.889 1.00 0.00 C ATOM 783 O HIS A 51 -9.986 -13.964 12.951 1.00 0.00 O ATOM 784 CB HIS A 51 -9.197 -12.855 9.862 1.00 0.00 C ATOM 785 CG HIS A 51 -8.629 -11.665 9.140 1.00 0.00 C ATOM 786 ND1 HIS A 51 -7.318 -11.251 9.312 1.00 0.00 N ATOM 787 CD2 HIS A 51 -9.184 -10.789 8.240 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.128 -10.170 8.535 1.00 0.00 C ATOM 789 NE2 HIS A 51 -8.234 -9.845 7.860 1.00 0.00 N ATOM 0 H HIS A 51 -8.027 -12.227 12.191 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.685 -11.698 10.897 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.404 -13.565 10.095 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.912 -13.374 9.224 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -10.202 -10.827 7.882 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.195 -9.630 8.465 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.356 -9.071 7.207 1.00 0.00 H new ATOM 797 N ILE A 52 -11.452 -14.231 11.342 1.00 0.00 N ATOM 798 CA ILE A 52 -12.038 -15.417 12.025 1.00 0.00 C ATOM 799 C ILE A 52 -11.193 -16.653 11.713 1.00 0.00 C ATOM 800 O ILE A 52 -10.944 -16.979 10.570 1.00 0.00 O ATOM 801 CB ILE A 52 -13.468 -15.644 11.535 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.321 -14.414 11.858 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.050 -16.870 12.241 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.778 -14.697 11.496 1.00 0.00 C ATOM 0 H ILE A 52 -11.888 -13.978 10.455 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.050 -15.242 13.101 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.466 -15.807 10.457 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.239 -14.169 12.917 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.958 -13.550 11.302 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.070 -17.038 11.896 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.441 -17.745 12.013 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.054 -16.702 13.318 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.386 -13.822 11.725 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.852 -14.921 10.432 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.137 -15.550 12.072 1.00 0.00 H new ATOM 816 N ARG A 53 -10.754 -17.340 12.728 1.00 0.00 N ATOM 817 CA ARG A 53 -9.925 -18.558 12.512 1.00 0.00 C ATOM 818 C ARG A 53 -10.834 -19.731 12.162 1.00 0.00 C ATOM 819 O ARG A 53 -10.563 -20.501 11.262 1.00 0.00 O ATOM 820 CB ARG A 53 -9.173 -18.886 13.801 1.00 0.00 C ATOM 821 CG ARG A 53 -8.268 -20.094 13.567 1.00 0.00 C ATOM 822 CD ARG A 53 -7.422 -20.351 14.815 1.00 0.00 C ATOM 823 NE ARG A 53 -8.220 -21.126 15.807 1.00 0.00 N ATOM 824 CZ ARG A 53 -7.694 -21.459 16.953 1.00 0.00 C ATOM 825 NH1 ARG A 53 -7.466 -22.714 17.227 1.00 0.00 N ATOM 826 NH2 ARG A 53 -7.394 -20.537 17.827 1.00 0.00 N ATOM 0 H ARG A 53 -10.935 -17.109 13.705 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.219 -18.381 11.701 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.579 -18.028 14.117 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.880 -19.097 14.604 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.870 -20.973 13.336 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.622 -19.916 12.708 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.520 -20.902 14.548 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.101 -19.405 15.251 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.179 -21.396 15.589 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.699 -23.435 16.545 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.055 -22.974 18.123 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.571 -19.555 17.614 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.983 -20.798 18.723 1.00 0.00 H new ATOM 840 N SER A 54 -11.907 -19.870 12.879 1.00 0.00 N ATOM 841 CA SER A 54 -12.846 -20.990 12.618 1.00 0.00 C ATOM 842 C SER A 54 -14.218 -20.633 13.189 1.00 0.00 C ATOM 843 O SER A 54 -14.333 -19.825 14.089 1.00 0.00 O ATOM 844 CB SER A 54 -12.323 -22.256 13.298 1.00 0.00 C ATOM 845 OG SER A 54 -12.676 -22.233 14.674 1.00 0.00 O ATOM 0 H SER A 54 -12.177 -19.250 13.643 1.00 0.00 H new ATOM 0 HA SER A 54 -12.929 -21.163 11.545 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.743 -23.140 12.818 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.240 -22.319 13.190 1.00 0.00 H new ATOM 0 HG SER A 54 -12.343 -23.045 15.111 1.00 0.00 H new ATOM 851 N THR A 55 -15.261 -21.223 12.676 1.00 0.00 N ATOM 852 CA THR A 55 -16.620 -20.906 13.195 1.00 0.00 C ATOM 853 C THR A 55 -16.786 -21.513 14.589 1.00 0.00 C ATOM 854 O THR A 55 -16.347 -22.614 14.857 1.00 0.00 O ATOM 855 CB THR A 55 -17.677 -21.488 12.255 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.644 -22.906 12.326 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.388 -21.041 10.821 1.00 0.00 C ATOM 0 H THR A 55 -15.232 -21.909 11.922 1.00 0.00 H new ATOM 0 HA THR A 55 -16.744 -19.825 13.251 1.00 0.00 H new ATOM 0 HB THR A 55 -18.663 -21.132 12.553 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.322 -23.279 11.725 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.142 -21.456 10.152 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.414 -19.953 10.767 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.402 -21.395 10.521 1.00 0.00 H new ATOM 865 N GLY A 56 -17.419 -20.801 15.479 1.00 0.00 N ATOM 866 CA GLY A 56 -17.618 -21.331 16.857 1.00 0.00 C ATOM 867 C GLY A 56 -16.436 -20.928 17.735 1.00 0.00 C ATOM 868 O GLY A 56 -15.382 -20.562 17.255 1.00 0.00 O ATOM 0 H GLY A 56 -17.808 -19.873 15.311 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.546 -20.942 17.277 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.711 -22.417 16.830 1.00 0.00 H new ATOM 872 N LYS A 57 -16.610 -20.996 19.021 1.00 0.00 N ATOM 873 CA LYS A 57 -15.507 -20.622 19.951 1.00 0.00 C ATOM 874 C LYS A 57 -14.228 -21.358 19.548 1.00 0.00 C ATOM 875 O LYS A 57 -14.268 -22.462 19.041 1.00 0.00 O ATOM 876 CB LYS A 57 -15.889 -21.014 21.379 1.00 0.00 C ATOM 877 CG LYS A 57 -14.858 -20.448 22.358 1.00 0.00 C ATOM 878 CD LYS A 57 -15.087 -21.055 23.745 1.00 0.00 C ATOM 879 CE LYS A 57 -14.160 -20.378 24.756 1.00 0.00 C ATOM 880 NZ LYS A 57 -14.611 -18.976 24.984 1.00 0.00 N ATOM 0 H LYS A 57 -17.473 -21.296 19.474 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.340 -19.546 19.901 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.881 -20.632 21.619 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.934 -22.099 21.470 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.849 -20.674 22.012 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.943 -19.362 22.405 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.127 -20.924 24.044 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.895 -22.128 23.721 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.165 -20.930 25.696 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.134 -20.386 24.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.236 -18.634 25.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.262 -18.370 24.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.650 -18.945 25.005 1.00 0.00 H new ATOM 894 N CYS A 58 -13.093 -20.756 19.773 1.00 0.00 N ATOM 895 CA CYS A 58 -11.812 -21.422 19.407 1.00 0.00 C ATOM 896 C CYS A 58 -11.775 -22.822 20.023 1.00 0.00 C ATOM 897 O CYS A 58 -11.106 -23.709 19.531 1.00 0.00 O ATOM 898 CB CYS A 58 -10.639 -20.597 19.939 1.00 0.00 C ATOM 899 SG CYS A 58 -10.543 -19.037 19.028 1.00 0.00 S ATOM 0 H CYS A 58 -12.997 -19.832 20.194 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.737 -21.500 18.322 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.770 -20.402 21.003 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.708 -21.154 19.829 1.00 0.00 H new