USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=11 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= 0.191 USER MOD Set 1.2: A 50 THR OG1 : rot 22:sc= -0.0259 USER MOD Set 2.1: A 31 GLN : amide:sc= -0.347 K(o=-1.2,f=-3.5!) USER MOD Set 2.2: A 33 TYR OH : rot 130:sc= -0.834! USER MOD Single : A 4 MET CE :methyl 149:sc= -0.227 (180deg=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 46:sc= -0.945! USER MOD Single : A 16 TYR OH : rot 0:sc= -4.33! 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 -15:sc= 0.106 USER MOD Single : A 34 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.71) USER MOD Single : A 35 ASN : amide:sc= -7.15! C(o=-7.2!,f=-21!) USER MOD Single : A 38 MET CE :methyl -138:sc= -0.147 (180deg=-1.17) USER MOD Single : A 41 HIS : no HE2:sc= -0.0592 X(o=-0.059,f=-0.48) USER MOD Single : A 43 ASN : amide:sc= -8.16! C(o=-8.2!,f=-8.9!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.0039) USER MOD Single : A 51 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-2.3!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0102 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 ----------------------------------------------------------------- ATOM 41 N MET A 4 -14.880 -8.039 5.269 1.00 0.00 N ATOM 42 CA MET A 4 -16.106 -7.238 4.998 1.00 0.00 C ATOM 43 C MET A 4 -16.121 -6.009 5.908 1.00 0.00 C ATOM 44 O MET A 4 -16.660 -4.976 5.565 1.00 0.00 O ATOM 45 CB MET A 4 -17.344 -8.093 5.270 1.00 0.00 C ATOM 46 CG MET A 4 -17.338 -9.306 4.336 1.00 0.00 C ATOM 47 SD MET A 4 -18.954 -10.120 4.395 1.00 0.00 S ATOM 48 CE MET A 4 -19.878 -8.850 3.497 1.00 0.00 C ATOM 0 HA MET A 4 -16.110 -6.918 3.956 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.352 -8.420 6.310 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.248 -7.504 5.114 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.114 -8.992 3.316 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.556 -10.004 4.634 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.693 -9.316 2.943 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.286 -8.128 4.205 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.212 -8.339 2.801 1.00 0.00 H new ATOM 58 N CYS A 5 -15.528 -6.112 7.066 1.00 0.00 N ATOM 59 CA CYS A 5 -15.505 -4.950 7.996 1.00 0.00 C ATOM 60 C CYS A 5 -14.320 -4.047 7.647 1.00 0.00 C ATOM 61 O CYS A 5 -14.271 -2.895 8.030 1.00 0.00 O ATOM 62 CB CYS A 5 -15.363 -5.451 9.434 1.00 0.00 C ATOM 63 SG CYS A 5 -16.497 -6.835 9.703 1.00 0.00 S ATOM 0 H CYS A 5 -15.059 -6.951 7.407 1.00 0.00 H new ATOM 0 HA CYS A 5 -16.433 -4.386 7.901 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -14.336 -5.766 9.621 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -15.582 -4.645 10.135 1.00 0.00 H new ATOM 68 N LYS A 6 -13.367 -4.558 6.916 1.00 0.00 N ATOM 69 CA LYS A 6 -12.193 -3.723 6.539 1.00 0.00 C ATOM 70 C LYS A 6 -12.691 -2.404 5.951 1.00 0.00 C ATOM 71 O LYS A 6 -12.010 -1.398 5.981 1.00 0.00 O ATOM 72 CB LYS A 6 -11.350 -4.466 5.503 1.00 0.00 C ATOM 73 CG LYS A 6 -10.571 -5.580 6.198 1.00 0.00 C ATOM 74 CD LYS A 6 -9.503 -6.126 5.251 1.00 0.00 C ATOM 75 CE LYS A 6 -8.824 -7.338 5.892 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.345 -7.167 5.837 1.00 0.00 N ATOM 0 H LYS A 6 -13.351 -5.515 6.565 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.581 -3.524 7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.991 -4.883 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.663 -3.776 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.105 -5.199 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.249 -6.379 6.498 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.955 -6.410 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.764 -5.354 5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.150 -7.446 6.927 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.115 -8.249 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.884 -7.991 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.042 -7.085 4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.076 -6.306 6.354 1.00 0.00 H new ATOM 90 N ASP A 7 -13.885 -2.402 5.430 1.00 0.00 N ATOM 91 CA ASP A 7 -14.450 -1.153 4.852 1.00 0.00 C ATOM 92 C ASP A 7 -15.624 -0.715 5.723 1.00 0.00 C ATOM 93 O ASP A 7 -16.597 -0.161 5.251 1.00 0.00 O ATOM 94 CB ASP A 7 -14.935 -1.419 3.425 1.00 0.00 C ATOM 95 CG ASP A 7 -16.025 -2.493 3.447 1.00 0.00 C ATOM 96 OD1 ASP A 7 -16.431 -2.875 4.532 1.00 0.00 O ATOM 97 OD2 ASP A 7 -16.434 -2.917 2.379 1.00 0.00 O ATOM 0 H ASP A 7 -14.497 -3.217 5.380 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.690 -0.372 4.823 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -15.324 -0.501 2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -14.102 -1.744 2.801 1.00 0.00 H new ATOM 102 N TYR A 8 -15.537 -0.981 6.996 1.00 0.00 N ATOM 103 CA TYR A 8 -16.638 -0.609 7.923 1.00 0.00 C ATOM 104 C TYR A 8 -16.546 0.874 8.285 1.00 0.00 C ATOM 105 O TYR A 8 -15.521 1.505 8.123 1.00 0.00 O ATOM 106 CB TYR A 8 -16.516 -1.445 9.196 1.00 0.00 C ATOM 107 CG TYR A 8 -17.881 -1.645 9.801 1.00 0.00 C ATOM 108 CD1 TYR A 8 -18.660 -2.740 9.413 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.365 -0.740 10.750 1.00 0.00 C ATOM 110 CE1 TYR A 8 -19.926 -2.930 9.978 1.00 0.00 C ATOM 111 CE2 TYR A 8 -19.631 -0.928 11.315 1.00 0.00 C ATOM 112 CZ TYR A 8 -20.413 -2.024 10.928 1.00 0.00 C ATOM 113 OH TYR A 8 -21.661 -2.211 11.486 1.00 0.00 O ATOM 0 H TYR A 8 -14.742 -1.445 7.436 1.00 0.00 H new ATOM 0 HA TYR A 8 -17.596 -0.796 7.438 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -16.063 -2.410 8.968 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.860 -0.946 9.910 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -18.285 -3.438 8.679 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -17.761 0.105 11.047 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -20.528 -3.776 9.681 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -20.005 -0.229 12.049 1.00 0.00 H new ATOM 0 HH TYR A 8 -21.764 -3.149 11.751 1.00 0.00 H new ATOM 123 N ARG A 9 -17.616 1.427 8.785 1.00 0.00 N ATOM 124 CA ARG A 9 -17.608 2.863 9.174 1.00 0.00 C ATOM 125 C ARG A 9 -18.469 3.039 10.423 1.00 0.00 C ATOM 126 O ARG A 9 -19.660 2.801 10.407 1.00 0.00 O ATOM 127 CB ARG A 9 -18.178 3.707 8.036 1.00 0.00 C ATOM 128 CG ARG A 9 -17.033 4.204 7.151 1.00 0.00 C ATOM 129 CD ARG A 9 -17.516 5.390 6.314 1.00 0.00 C ATOM 130 NE ARG A 9 -18.798 5.034 5.643 1.00 0.00 N ATOM 131 CZ ARG A 9 -18.883 5.057 4.341 1.00 0.00 C ATOM 132 NH1 ARG A 9 -19.559 6.003 3.748 1.00 0.00 N ATOM 133 NH2 ARG A 9 -18.292 4.135 3.631 1.00 0.00 N ATOM 0 H ARG A 9 -18.500 0.942 8.941 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.587 3.185 9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.879 3.116 7.446 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.735 4.553 8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.185 4.501 7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.688 3.401 6.499 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.656 6.264 6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.765 5.654 5.570 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.610 4.772 6.202 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -20.021 6.724 4.302 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.626 6.021 2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.763 3.396 4.094 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.359 4.154 2.613 1.00 0.00 H new ATOM 147 N VAL A 10 -17.878 3.448 11.510 1.00 0.00 N ATOM 148 CA VAL A 10 -18.669 3.630 12.759 1.00 0.00 C ATOM 149 C VAL A 10 -18.741 5.116 13.111 1.00 0.00 C ATOM 150 O VAL A 10 -17.774 5.842 12.994 1.00 0.00 O ATOM 151 CB VAL A 10 -18.002 2.866 13.905 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.846 3.010 15.174 1.00 0.00 C ATOM 153 CG2 VAL A 10 -17.893 1.386 13.537 1.00 0.00 C ATOM 0 H VAL A 10 -16.884 3.664 11.588 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.677 3.246 12.605 1.00 0.00 H new ATOM 0 HB VAL A 10 -17.006 3.273 14.080 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.371 2.466 15.990 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.927 4.064 15.439 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.841 2.603 14.997 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.418 0.842 14.353 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -18.889 0.980 13.362 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.294 1.279 12.633 1.00 0.00 H new ATOM 163 N LEU A 11 -19.884 5.569 13.545 1.00 0.00 N ATOM 164 CA LEU A 11 -20.032 7.004 13.911 1.00 0.00 C ATOM 165 C LEU A 11 -20.430 7.106 15.384 1.00 0.00 C ATOM 166 O LEU A 11 -20.708 6.114 16.029 1.00 0.00 O ATOM 167 CB LEU A 11 -21.120 7.638 13.040 1.00 0.00 C ATOM 168 CG LEU A 11 -20.471 8.456 11.923 1.00 0.00 C ATOM 169 CD1 LEU A 11 -20.666 7.738 10.586 1.00 0.00 C ATOM 170 CD2 LEU A 11 -21.121 9.841 11.857 1.00 0.00 C ATOM 0 H LEU A 11 -20.725 5.004 13.662 1.00 0.00 H new ATOM 0 HA LEU A 11 -19.089 7.527 13.750 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.757 6.863 12.614 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.760 8.277 13.648 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.406 8.565 12.126 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -20.204 8.321 9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.202 6.753 10.631 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -21.731 7.628 10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -20.657 10.423 11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.187 9.734 11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -20.982 10.354 12.809 1.00 0.00 H new ATOM 182 N PRO A 12 -20.461 8.332 15.927 1.00 0.00 N ATOM 183 CA PRO A 12 -20.831 8.567 17.329 1.00 0.00 C ATOM 184 C PRO A 12 -22.303 8.232 17.591 1.00 0.00 C ATOM 185 O PRO A 12 -22.698 7.953 18.705 1.00 0.00 O ATOM 186 CB PRO A 12 -20.586 10.065 17.516 1.00 0.00 C ATOM 187 CG PRO A 12 -20.699 10.634 16.143 1.00 0.00 C ATOM 188 CD PRO A 12 -20.143 9.586 15.222 1.00 0.00 C ATOM 0 HA PRO A 12 -20.261 7.942 18.016 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -21.320 10.506 18.191 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.603 10.256 17.946 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -21.736 10.861 15.897 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.140 11.566 16.058 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -20.608 9.625 14.237 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.070 9.706 15.073 1.00 0.00 H new ATOM 196 N ARG A 13 -23.114 8.251 16.569 1.00 0.00 N ATOM 197 CA ARG A 13 -24.556 7.929 16.756 1.00 0.00 C ATOM 198 C ARG A 13 -24.864 6.584 16.093 1.00 0.00 C ATOM 199 O ARG A 13 -25.815 5.912 16.441 1.00 0.00 O ATOM 200 CB ARG A 13 -25.411 9.021 16.111 1.00 0.00 C ATOM 201 CG ARG A 13 -26.888 8.627 16.189 1.00 0.00 C ATOM 202 CD ARG A 13 -27.706 9.532 15.269 1.00 0.00 C ATOM 203 NE ARG A 13 -29.158 9.288 15.496 1.00 0.00 N ATOM 204 CZ ARG A 13 -29.746 8.270 14.930 1.00 0.00 C ATOM 205 NH1 ARG A 13 -29.619 8.074 13.647 1.00 0.00 N ATOM 206 NH2 ARG A 13 -30.460 7.446 15.648 1.00 0.00 N ATOM 0 H ARG A 13 -22.840 8.476 15.613 1.00 0.00 H new ATOM 0 HA ARG A 13 -24.782 7.873 17.821 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -25.250 9.971 16.620 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -25.116 9.162 15.071 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -27.013 7.585 15.896 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -27.245 8.715 17.215 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -27.467 10.578 15.463 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -27.452 9.335 14.228 1.00 0.00 H new ATOM 0 HE ARG A 13 -29.693 9.917 16.094 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -29.060 8.717 13.086 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -30.079 7.278 13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -30.558 7.598 16.652 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -30.920 6.650 15.205 1.00 0.00 H new ATOM 220 N ILE A 14 -24.063 6.187 15.143 1.00 0.00 N ATOM 221 CA ILE A 14 -24.307 4.887 14.456 1.00 0.00 C ATOM 222 C ILE A 14 -23.577 3.769 15.205 1.00 0.00 C ATOM 223 O ILE A 14 -24.103 2.689 15.391 1.00 0.00 O ATOM 224 CB ILE A 14 -23.785 4.968 13.019 1.00 0.00 C ATOM 225 CG1 ILE A 14 -24.602 5.999 12.237 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.914 3.598 12.351 1.00 0.00 C ATOM 227 CD1 ILE A 14 -24.014 6.160 10.834 1.00 0.00 C ATOM 0 H ILE A 14 -23.250 6.707 14.813 1.00 0.00 H new ATOM 0 HA ILE A 14 -25.376 4.675 14.443 1.00 0.00 H new ATOM 0 HB ILE A 14 -22.737 5.268 13.029 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -25.642 5.681 12.172 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -24.594 6.956 12.758 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -23.542 3.656 11.328 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.331 2.865 12.908 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.961 3.296 12.340 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -24.596 6.894 10.278 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -22.980 6.498 10.909 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -24.046 5.202 10.314 1.00 0.00 H new ATOM 239 N GLY A 15 -22.371 4.017 15.636 1.00 0.00 N ATOM 240 CA GLY A 15 -21.611 2.969 16.373 1.00 0.00 C ATOM 241 C GLY A 15 -21.391 1.758 15.462 1.00 0.00 C ATOM 242 O GLY A 15 -21.234 1.891 14.265 1.00 0.00 O ATOM 0 H GLY A 15 -21.879 4.901 15.509 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.652 3.367 16.704 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.158 2.670 17.267 1.00 0.00 H new ATOM 246 N TYR A 16 -21.377 0.579 16.021 1.00 0.00 N ATOM 247 CA TYR A 16 -21.166 -0.638 15.186 1.00 0.00 C ATOM 248 C TYR A 16 -22.511 -1.317 14.921 1.00 0.00 C ATOM 249 O TYR A 16 -23.412 -1.268 15.734 1.00 0.00 O ATOM 250 CB TYR A 16 -20.243 -1.610 15.924 1.00 0.00 C ATOM 251 CG TYR A 16 -19.302 -2.258 14.937 1.00 0.00 C ATOM 252 CD1 TYR A 16 -18.136 -1.589 14.541 1.00 0.00 C ATOM 253 CD2 TYR A 16 -19.592 -3.525 14.417 1.00 0.00 C ATOM 254 CE1 TYR A 16 -17.263 -2.187 13.626 1.00 0.00 C ATOM 255 CE2 TYR A 16 -18.718 -4.123 13.501 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.553 -3.454 13.106 1.00 0.00 C ATOM 257 OH TYR A 16 -16.691 -4.044 12.203 1.00 0.00 O ATOM 0 H TYR A 16 -21.502 0.406 17.018 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.711 -0.351 14.238 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.676 -1.080 16.689 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.833 -2.372 16.435 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -17.911 -0.612 14.942 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.490 -4.041 14.722 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -16.365 -1.671 13.321 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -18.942 -5.100 13.099 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.933 -3.446 12.036 1.00 0.00 H new ATOM 267 N LEU A 17 -22.651 -1.950 13.790 1.00 0.00 N ATOM 268 CA LEU A 17 -23.938 -2.634 13.474 1.00 0.00 C ATOM 269 C LEU A 17 -23.692 -4.135 13.303 1.00 0.00 C ATOM 270 O LEU A 17 -22.822 -4.552 12.565 1.00 0.00 O ATOM 271 CB LEU A 17 -24.518 -2.061 12.179 1.00 0.00 C ATOM 272 CG LEU A 17 -25.042 -0.648 12.437 1.00 0.00 C ATOM 273 CD1 LEU A 17 -25.630 -0.077 11.145 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.129 -0.697 13.514 1.00 0.00 C ATOM 0 H LEU A 17 -21.931 -2.024 13.071 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.643 -2.473 14.290 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.753 -2.041 11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -25.324 -2.699 11.815 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.223 -0.013 12.774 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -26.003 0.930 11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -24.857 -0.043 10.377 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -26.449 -0.711 10.807 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -26.504 0.310 13.699 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.948 -1.332 13.176 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.711 -1.103 14.435 1.00 0.00 H new ATOM 286 N CYS A 18 -24.453 -4.949 13.982 1.00 0.00 N ATOM 287 CA CYS A 18 -24.267 -6.422 13.863 1.00 0.00 C ATOM 288 C CYS A 18 -25.637 -7.101 13.812 1.00 0.00 C ATOM 289 O CYS A 18 -26.625 -6.557 14.265 1.00 0.00 O ATOM 290 CB CYS A 18 -23.486 -6.935 15.074 1.00 0.00 C ATOM 291 SG CYS A 18 -21.882 -6.101 15.147 1.00 0.00 S ATOM 0 H CYS A 18 -25.197 -4.656 14.615 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.713 -6.650 12.952 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -24.048 -6.749 15.989 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.345 -8.013 15.000 1.00 0.00 H new ATOM 296 N PRO A 19 -25.691 -8.316 13.250 1.00 0.00 N ATOM 297 CA PRO A 19 -26.939 -9.080 13.137 1.00 0.00 C ATOM 298 C PRO A 19 -27.427 -9.560 14.505 1.00 0.00 C ATOM 299 O PRO A 19 -26.706 -9.520 15.481 1.00 0.00 O ATOM 300 CB PRO A 19 -26.553 -10.275 12.268 1.00 0.00 C ATOM 301 CG PRO A 19 -25.084 -10.428 12.474 1.00 0.00 C ATOM 302 CD PRO A 19 -24.543 -9.041 12.681 1.00 0.00 C ATOM 0 HA PRO A 19 -27.751 -8.484 12.720 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -27.092 -11.174 12.568 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.790 -10.096 11.219 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.876 -11.060 13.337 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.617 -10.903 11.611 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.689 -9.038 13.358 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -24.209 -8.595 11.744 1.00 0.00 H new ATOM 310 N LYS A 20 -28.646 -10.015 14.584 1.00 0.00 N ATOM 311 CA LYS A 20 -29.172 -10.494 15.891 1.00 0.00 C ATOM 312 C LYS A 20 -28.827 -11.973 16.069 1.00 0.00 C ATOM 313 O LYS A 20 -28.885 -12.508 17.157 1.00 0.00 O ATOM 314 CB LYS A 20 -30.691 -10.309 15.931 1.00 0.00 C ATOM 315 CG LYS A 20 -31.018 -8.814 15.942 1.00 0.00 C ATOM 316 CD LYS A 20 -32.517 -8.617 16.178 1.00 0.00 C ATOM 317 CE LYS A 20 -32.856 -7.127 16.087 1.00 0.00 C ATOM 318 NZ LYS A 20 -34.237 -6.899 16.596 1.00 0.00 N ATOM 0 H LYS A 20 -29.299 -10.076 13.802 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.719 -9.919 16.698 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -31.150 -10.787 15.066 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -31.104 -10.790 16.818 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -30.448 -8.313 16.724 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.726 -8.361 14.995 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -33.089 -9.177 15.438 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.796 -9.005 17.158 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.142 -6.545 16.669 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -32.777 -6.788 15.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -34.467 -5.887 16.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -34.913 -7.443 16.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -34.297 -7.208 17.587 1.00 0.00 H new ATOM 332 N ASP A 21 -28.460 -12.638 15.007 1.00 0.00 N ATOM 333 CA ASP A 21 -28.103 -14.079 15.121 1.00 0.00 C ATOM 334 C ASP A 21 -26.783 -14.208 15.881 1.00 0.00 C ATOM 335 O ASP A 21 -25.758 -13.719 15.450 1.00 0.00 O ATOM 336 CB ASP A 21 -27.947 -14.680 13.723 1.00 0.00 C ATOM 337 CG ASP A 21 -27.796 -16.198 13.836 1.00 0.00 C ATOM 338 OD1 ASP A 21 -27.909 -16.705 14.939 1.00 0.00 O ATOM 339 OD2 ASP A 21 -27.570 -16.828 12.816 1.00 0.00 O ATOM 0 H ASP A 21 -28.392 -12.246 14.068 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.890 -14.611 15.656 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -28.815 -14.434 13.111 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -27.076 -14.253 13.227 1.00 0.00 H new ATOM 344 N LEU A 22 -26.798 -14.857 17.014 1.00 0.00 N ATOM 345 CA LEU A 22 -25.541 -15.007 17.799 1.00 0.00 C ATOM 346 C LEU A 22 -24.747 -16.207 17.282 1.00 0.00 C ATOM 347 O LEU A 22 -25.228 -17.323 17.263 1.00 0.00 O ATOM 348 CB LEU A 22 -25.880 -15.222 19.275 1.00 0.00 C ATOM 349 CG LEU A 22 -24.592 -15.472 20.059 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.669 -14.260 19.922 1.00 0.00 C ATOM 351 CD2 LEU A 22 -24.925 -15.695 21.535 1.00 0.00 C ATOM 0 H LEU A 22 -27.624 -15.288 17.428 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.942 -14.103 17.690 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.397 -14.348 19.672 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.556 -16.070 19.385 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.093 -16.357 19.663 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.750 -14.437 20.481 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -23.429 -14.102 18.870 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -24.169 -13.376 20.317 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -24.005 -15.873 22.093 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -25.425 -14.812 21.933 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -25.582 -16.559 21.633 1.00 0.00 H new ATOM 363 N LYS A 23 -23.529 -15.987 16.868 1.00 0.00 N ATOM 364 CA LYS A 23 -22.698 -17.115 16.359 1.00 0.00 C ATOM 365 C LYS A 23 -21.263 -16.945 16.863 1.00 0.00 C ATOM 366 O LYS A 23 -20.557 -16.043 16.459 1.00 0.00 O ATOM 367 CB LYS A 23 -22.710 -17.114 14.828 1.00 0.00 C ATOM 368 CG LYS A 23 -24.140 -17.339 14.331 1.00 0.00 C ATOM 369 CD LYS A 23 -24.139 -18.432 13.259 1.00 0.00 C ATOM 370 CE LYS A 23 -24.556 -17.830 11.917 1.00 0.00 C ATOM 371 NZ LYS A 23 -23.388 -17.826 10.991 1.00 0.00 N ATOM 0 H LYS A 23 -23.073 -15.075 16.860 1.00 0.00 H new ATOM 0 HA LYS A 23 -23.104 -18.061 16.718 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.327 -16.166 14.451 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -22.054 -17.897 14.448 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.784 -17.629 15.161 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.545 -16.413 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -23.147 -18.876 13.178 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -24.824 -19.232 13.539 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -25.374 -18.407 11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.924 -16.814 12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -23.671 -17.417 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.621 -17.258 11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -23.057 -18.801 10.846 1.00 0.00 H new ATOM 385 N PRO A 24 -20.833 -17.833 17.775 1.00 0.00 N ATOM 386 CA PRO A 24 -19.485 -17.788 18.364 1.00 0.00 C ATOM 387 C PRO A 24 -18.386 -18.037 17.330 1.00 0.00 C ATOM 388 O PRO A 24 -18.364 -19.048 16.660 1.00 0.00 O ATOM 389 CB PRO A 24 -19.511 -18.920 19.394 1.00 0.00 C ATOM 390 CG PRO A 24 -20.570 -19.843 18.901 1.00 0.00 C ATOM 391 CD PRO A 24 -21.624 -18.960 18.299 1.00 0.00 C ATOM 0 HA PRO A 24 -19.260 -16.809 18.787 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.545 -19.421 19.458 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.743 -18.545 20.391 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -20.172 -20.538 18.162 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.978 -20.442 19.715 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -22.178 -19.469 17.510 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.353 -18.634 19.041 1.00 0.00 H new ATOM 399 N VAL A 25 -17.473 -17.113 17.199 1.00 0.00 N ATOM 400 CA VAL A 25 -16.368 -17.285 16.212 1.00 0.00 C ATOM 401 C VAL A 25 -15.023 -17.303 16.942 1.00 0.00 C ATOM 402 O VAL A 25 -14.882 -16.755 18.016 1.00 0.00 O ATOM 403 CB VAL A 25 -16.377 -16.116 15.227 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.716 -16.070 14.490 1.00 0.00 C ATOM 405 CG2 VAL A 25 -16.175 -14.810 15.999 1.00 0.00 C ATOM 0 H VAL A 25 -17.444 -16.245 17.734 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.511 -18.224 15.677 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.574 -16.245 14.501 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.717 -15.235 13.789 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.863 -17.002 13.944 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.524 -15.940 15.210 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.180 -13.971 15.303 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.981 -14.686 16.722 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.219 -14.841 16.523 1.00 0.00 H new ATOM 415 N CYS A 26 -14.030 -17.918 16.358 1.00 0.00 N ATOM 416 CA CYS A 26 -12.689 -17.957 17.008 1.00 0.00 C ATOM 417 C CYS A 26 -11.790 -16.904 16.358 1.00 0.00 C ATOM 418 O CYS A 26 -11.509 -16.964 15.182 1.00 0.00 O ATOM 419 CB CYS A 26 -12.063 -19.342 16.817 1.00 0.00 C ATOM 420 SG CYS A 26 -10.401 -19.352 17.532 1.00 0.00 S ATOM 0 H CYS A 26 -14.090 -18.395 15.458 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.794 -17.752 18.073 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.681 -20.102 17.295 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.016 -19.589 15.756 1.00 0.00 H new ATOM 425 N GLY A 27 -11.342 -15.936 17.110 1.00 0.00 N ATOM 426 CA GLY A 27 -10.468 -14.879 16.520 1.00 0.00 C ATOM 427 C GLY A 27 -9.071 -15.445 16.257 1.00 0.00 C ATOM 428 O GLY A 27 -8.521 -16.172 17.062 1.00 0.00 O ATOM 0 H GLY A 27 -11.542 -15.830 18.105 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.903 -14.513 15.590 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.403 -14.028 17.198 1.00 0.00 H new ATOM 432 N ASP A 28 -8.489 -15.113 15.135 1.00 0.00 N ATOM 433 CA ASP A 28 -7.125 -15.628 14.817 1.00 0.00 C ATOM 434 C ASP A 28 -6.109 -15.009 15.779 1.00 0.00 C ATOM 435 O ASP A 28 -4.970 -15.428 15.846 1.00 0.00 O ATOM 436 CB ASP A 28 -6.761 -15.249 13.380 1.00 0.00 C ATOM 437 CG ASP A 28 -6.751 -13.725 13.241 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.812 -13.057 14.259 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.682 -13.253 12.119 1.00 0.00 O ATOM 0 H ASP A 28 -8.900 -14.507 14.425 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.112 -16.713 14.923 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.783 -15.655 13.122 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.479 -15.684 12.685 1.00 0.00 H new ATOM 444 N ASP A 29 -6.511 -14.019 16.525 1.00 0.00 N ATOM 445 CA ASP A 29 -5.568 -13.375 17.483 1.00 0.00 C ATOM 446 C ASP A 29 -5.517 -14.194 18.774 1.00 0.00 C ATOM 447 O ASP A 29 -4.940 -13.778 19.761 1.00 0.00 O ATOM 448 CB ASP A 29 -6.052 -11.960 17.797 1.00 0.00 C ATOM 449 CG ASP A 29 -7.427 -12.030 18.467 1.00 0.00 C ATOM 450 OD1 ASP A 29 -7.861 -13.130 18.768 1.00 0.00 O ATOM 451 OD2 ASP A 29 -8.019 -10.983 18.669 1.00 0.00 O ATOM 0 H ASP A 29 -7.453 -13.627 16.513 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.573 -13.330 17.041 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.341 -11.458 18.453 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.111 -11.372 16.881 1.00 0.00 H new ATOM 456 N GLY A 30 -6.119 -15.351 18.779 1.00 0.00 N ATOM 457 CA GLY A 30 -6.109 -16.191 20.010 1.00 0.00 C ATOM 458 C GLY A 30 -7.282 -15.789 20.903 1.00 0.00 C ATOM 459 O GLY A 30 -7.345 -16.147 22.062 1.00 0.00 O ATOM 0 H GLY A 30 -6.617 -15.751 17.984 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.183 -17.246 19.745 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.168 -16.062 20.545 1.00 0.00 H new ATOM 463 N GLN A 31 -8.214 -15.045 20.372 1.00 0.00 N ATOM 464 CA GLN A 31 -9.384 -14.620 21.187 1.00 0.00 C ATOM 465 C GLN A 31 -10.668 -15.154 20.552 1.00 0.00 C ATOM 466 O GLN A 31 -10.672 -15.609 19.425 1.00 0.00 O ATOM 467 CB GLN A 31 -9.446 -13.092 21.239 1.00 0.00 C ATOM 468 CG GLN A 31 -8.216 -12.554 21.973 1.00 0.00 C ATOM 469 CD GLN A 31 -8.181 -11.029 21.860 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.903 -10.450 21.073 1.00 0.00 O ATOM 471 NE2 GLN A 31 -7.366 -10.348 22.619 1.00 0.00 N ATOM 0 H GLN A 31 -8.214 -14.713 19.407 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.282 -15.016 22.198 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.486 -12.685 20.229 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.355 -12.772 21.748 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.246 -12.851 23.021 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.309 -12.982 21.546 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.759 -10.833 23.280 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.336 -9.331 22.551 1.00 0.00 H new ATOM 480 N THR A 32 -11.759 -15.100 21.264 1.00 0.00 N ATOM 481 CA THR A 32 -13.043 -15.600 20.699 1.00 0.00 C ATOM 482 C THR A 32 -14.101 -14.503 20.804 1.00 0.00 C ATOM 483 O THR A 32 -14.173 -13.789 21.785 1.00 0.00 O ATOM 484 CB THR A 32 -13.505 -16.828 21.486 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.511 -17.842 21.407 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.815 -17.347 20.893 1.00 0.00 C ATOM 0 H THR A 32 -11.817 -14.731 22.213 1.00 0.00 H new ATOM 0 HA THR A 32 -12.899 -15.873 19.654 1.00 0.00 H new ATOM 0 HB THR A 32 -13.662 -16.556 22.530 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.878 -17.624 20.692 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.146 -18.222 21.452 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.575 -16.568 20.954 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.659 -17.621 19.850 1.00 0.00 H new ATOM 494 N TYR A 33 -14.922 -14.360 19.803 1.00 0.00 N ATOM 495 CA TYR A 33 -15.973 -13.307 19.848 1.00 0.00 C ATOM 496 C TYR A 33 -17.351 -13.964 19.771 1.00 0.00 C ATOM 497 O TYR A 33 -17.632 -14.735 18.875 1.00 0.00 O ATOM 498 CB TYR A 33 -15.789 -12.357 18.663 1.00 0.00 C ATOM 499 CG TYR A 33 -14.364 -11.858 18.645 1.00 0.00 C ATOM 500 CD1 TYR A 33 -13.966 -10.848 19.529 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.440 -12.407 17.749 1.00 0.00 C ATOM 502 CE1 TYR A 33 -12.644 -10.387 19.516 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.118 -11.946 17.736 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.720 -10.936 18.620 1.00 0.00 C ATOM 505 OH TYR A 33 -10.417 -10.482 18.607 1.00 0.00 O ATOM 0 H TYR A 33 -14.911 -14.927 18.955 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.891 -12.745 20.778 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -16.019 -12.871 17.730 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -16.480 -11.518 18.743 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.679 -10.424 20.221 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -13.747 -13.187 17.067 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.337 -9.607 20.198 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.405 -12.370 17.044 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.804 -11.246 18.649 1.00 0.00 H new ATOM 515 N ASN A 34 -18.213 -13.670 20.705 1.00 0.00 N ATOM 516 CA ASN A 34 -19.567 -14.287 20.679 1.00 0.00 C ATOM 517 C ASN A 34 -20.175 -14.119 19.286 1.00 0.00 C ATOM 518 O ASN A 34 -20.225 -15.046 18.508 1.00 0.00 O ATOM 519 CB ASN A 34 -20.466 -13.616 21.723 1.00 0.00 C ATOM 520 CG ASN A 34 -19.663 -13.356 22.998 1.00 0.00 C ATOM 521 OD1 ASN A 34 -18.869 -14.179 23.409 1.00 0.00 O ATOM 522 ND2 ASN A 34 -19.839 -12.238 23.647 1.00 0.00 N ATOM 0 H ASN A 34 -18.039 -13.032 21.481 1.00 0.00 H new ATOM 0 HA ASN A 34 -19.485 -15.348 20.913 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -20.859 -12.678 21.331 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -21.323 -14.253 21.944 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -19.310 -12.055 24.500 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -20.506 -11.547 23.302 1.00 0.00 H new ATOM 529 N ASN A 35 -20.634 -12.947 18.964 1.00 0.00 N ATOM 530 CA ASN A 35 -21.236 -12.726 17.618 1.00 0.00 C ATOM 531 C ASN A 35 -20.124 -12.480 16.594 1.00 0.00 C ATOM 532 O ASN A 35 -19.086 -11.936 16.914 1.00 0.00 O ATOM 533 CB ASN A 35 -22.176 -11.518 17.689 1.00 0.00 C ATOM 534 CG ASN A 35 -22.559 -11.055 16.284 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.720 -10.613 15.527 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.806 -11.136 15.904 1.00 0.00 N ATOM 0 H ASN A 35 -20.620 -12.129 19.573 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.803 -13.605 17.310 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -23.073 -11.780 18.249 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.691 -10.704 18.227 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -24.076 -10.828 14.970 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.510 -11.508 16.541 1.00 0.00 H new ATOM 543 N PRO A 36 -20.347 -12.891 15.334 1.00 0.00 N ATOM 544 CA PRO A 36 -19.361 -12.714 14.256 1.00 0.00 C ATOM 545 C PRO A 36 -19.084 -11.235 13.979 1.00 0.00 C ATOM 546 O PRO A 36 -17.951 -10.795 14.000 1.00 0.00 O ATOM 547 CB PRO A 36 -20.031 -13.375 13.049 1.00 0.00 C ATOM 548 CG PRO A 36 -21.485 -13.324 13.367 1.00 0.00 C ATOM 549 CD PRO A 36 -21.569 -13.554 14.847 1.00 0.00 C ATOM 0 HA PRO A 36 -18.392 -13.147 14.504 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.806 -12.841 12.126 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.688 -14.401 12.915 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.915 -12.361 13.093 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.036 -14.087 12.817 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.469 -13.115 15.277 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.583 -14.616 15.094 1.00 0.00 H new ATOM 557 N CYS A 37 -20.102 -10.456 13.738 1.00 0.00 N ATOM 558 CA CYS A 37 -19.874 -9.009 13.486 1.00 0.00 C ATOM 559 C CYS A 37 -19.214 -8.407 14.728 1.00 0.00 C ATOM 560 O CYS A 37 -18.481 -7.441 14.652 1.00 0.00 O ATOM 561 CB CYS A 37 -21.216 -8.319 13.213 1.00 0.00 C ATOM 562 SG CYS A 37 -21.032 -6.524 13.367 1.00 0.00 S ATOM 0 H CYS A 37 -21.076 -10.758 13.705 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.229 -8.869 12.618 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.568 -8.572 12.213 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.968 -8.677 13.916 1.00 0.00 H new ATOM 567 N MET A 38 -19.466 -8.985 15.871 1.00 0.00 N ATOM 568 CA MET A 38 -18.852 -8.467 17.124 1.00 0.00 C ATOM 569 C MET A 38 -17.337 -8.657 17.052 1.00 0.00 C ATOM 570 O MET A 38 -16.585 -8.006 17.750 1.00 0.00 O ATOM 571 CB MET A 38 -19.419 -9.238 18.320 1.00 0.00 C ATOM 572 CG MET A 38 -20.694 -8.549 18.811 1.00 0.00 C ATOM 573 SD MET A 38 -20.297 -6.871 19.363 1.00 0.00 S ATOM 574 CE MET A 38 -19.317 -7.335 20.811 1.00 0.00 C ATOM 0 H MET A 38 -20.073 -9.796 15.990 1.00 0.00 H new ATOM 0 HA MET A 38 -19.078 -7.407 17.241 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.636 -10.267 18.034 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.683 -9.279 19.123 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.433 -8.515 18.011 1.00 0.00 H new ATOM 0 HG3 MET A 38 -21.136 -9.118 19.629 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.572 -6.683 21.647 1.00 0.00 H new ATOM 0 HE2 MET A 38 -19.531 -8.370 21.079 1.00 0.00 H new ATOM 0 HE3 MET A 38 -18.257 -7.232 20.581 1.00 0.00 H new ATOM 584 N LEU A 39 -16.881 -9.540 16.202 1.00 0.00 N ATOM 585 CA LEU A 39 -15.413 -9.763 16.075 1.00 0.00 C ATOM 586 C LEU A 39 -14.778 -8.519 15.454 1.00 0.00 C ATOM 587 O LEU A 39 -13.835 -7.963 15.982 1.00 0.00 O ATOM 588 CB LEU A 39 -15.152 -10.980 15.184 1.00 0.00 C ATOM 589 CG LEU A 39 -13.647 -11.117 14.934 1.00 0.00 C ATOM 590 CD1 LEU A 39 -13.272 -12.599 14.848 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.287 -10.425 13.620 1.00 0.00 C ATOM 0 H LEU A 39 -17.462 -10.115 15.592 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.979 -9.946 17.058 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.536 -11.882 15.661 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.680 -10.871 14.237 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.100 -10.653 15.755 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.201 -12.694 14.670 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.529 -13.094 15.784 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.818 -13.066 14.028 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.216 -10.521 13.440 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.836 -10.890 12.801 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.552 -9.369 13.680 1.00 0.00 H new ATOM 603 N CYS A 40 -15.294 -8.066 14.344 1.00 0.00 N ATOM 604 CA CYS A 40 -14.721 -6.846 13.713 1.00 0.00 C ATOM 605 C CYS A 40 -14.640 -5.750 14.774 1.00 0.00 C ATOM 606 O CYS A 40 -13.795 -4.880 14.729 1.00 0.00 O ATOM 607 CB CYS A 40 -15.618 -6.389 12.562 1.00 0.00 C ATOM 608 SG CYS A 40 -15.794 -7.737 11.367 1.00 0.00 S ATOM 0 H CYS A 40 -16.082 -8.485 13.851 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.728 -7.059 13.317 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -16.596 -6.096 12.943 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -15.189 -5.512 12.077 1.00 0.00 H new ATOM 613 N HIS A 41 -15.508 -5.802 15.744 1.00 0.00 N ATOM 614 CA HIS A 41 -15.474 -4.784 16.824 1.00 0.00 C ATOM 615 C HIS A 41 -14.104 -4.840 17.490 1.00 0.00 C ATOM 616 O HIS A 41 -13.455 -3.832 17.692 1.00 0.00 O ATOM 617 CB HIS A 41 -16.556 -5.107 17.850 1.00 0.00 C ATOM 618 CG HIS A 41 -16.913 -3.862 18.615 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.428 -2.735 17.997 1.00 0.00 N ATOM 620 CD2 HIS A 41 -16.834 -3.554 19.952 1.00 0.00 C ATOM 621 CE1 HIS A 41 -17.638 -1.809 18.950 1.00 0.00 C ATOM 622 NE2 HIS A 41 -17.292 -2.256 20.161 1.00 0.00 N ATOM 0 H HIS A 41 -16.240 -6.507 15.834 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.652 -3.789 16.417 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.439 -5.504 17.350 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.204 -5.878 18.535 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -17.614 -2.627 17.000 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -16.472 -4.218 20.723 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.038 -0.824 18.760 1.00 0.00 H new ATOM 630 N GLU A 42 -13.655 -6.019 17.816 1.00 0.00 N ATOM 631 CA GLU A 42 -12.319 -6.156 18.451 1.00 0.00 C ATOM 632 C GLU A 42 -11.264 -5.605 17.496 1.00 0.00 C ATOM 633 O GLU A 42 -10.150 -5.312 17.885 1.00 0.00 O ATOM 634 CB GLU A 42 -12.034 -7.634 18.725 1.00 0.00 C ATOM 635 CG GLU A 42 -10.954 -7.753 19.803 1.00 0.00 C ATOM 636 CD GLU A 42 -11.505 -7.242 21.135 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.709 -7.312 21.321 1.00 0.00 O ATOM 638 OE2 GLU A 42 -10.715 -6.791 21.947 1.00 0.00 O ATOM 0 H GLU A 42 -14.158 -6.894 17.669 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.296 -5.605 19.391 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.945 -8.137 19.050 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.706 -8.128 17.810 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.637 -8.791 19.903 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.074 -7.177 19.516 1.00 0.00 H new ATOM 645 N ASN A 43 -11.609 -5.456 16.246 1.00 0.00 N ATOM 646 CA ASN A 43 -10.623 -4.915 15.267 1.00 0.00 C ATOM 647 C ASN A 43 -10.572 -3.394 15.404 1.00 0.00 C ATOM 648 O ASN A 43 -9.536 -2.780 15.255 1.00 0.00 O ATOM 649 CB ASN A 43 -11.035 -5.284 13.838 1.00 0.00 C ATOM 650 CG ASN A 43 -10.953 -6.801 13.647 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.108 -7.287 12.922 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.801 -7.575 14.268 1.00 0.00 N ATOM 0 H ASN A 43 -12.526 -5.684 15.862 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.642 -5.344 15.471 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.050 -4.938 13.642 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.384 -4.783 13.122 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.754 -8.586 14.144 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.511 -7.168 14.877 1.00 0.00 H new ATOM 659 N LEU A 44 -11.689 -2.782 15.694 1.00 0.00 N ATOM 660 CA LEU A 44 -11.708 -1.300 15.848 1.00 0.00 C ATOM 661 C LEU A 44 -10.966 -0.914 17.130 1.00 0.00 C ATOM 662 O LEU A 44 -10.299 0.098 17.194 1.00 0.00 O ATOM 663 CB LEU A 44 -13.158 -0.819 15.935 1.00 0.00 C ATOM 664 CG LEU A 44 -13.211 0.699 15.756 1.00 0.00 C ATOM 665 CD1 LEU A 44 -12.580 1.381 16.972 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.439 1.093 14.494 1.00 0.00 C ATOM 0 H LEU A 44 -12.588 -3.244 15.831 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.220 -0.836 14.991 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.759 -1.306 15.167 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.586 -1.096 16.899 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.250 1.015 15.661 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.618 2.463 16.843 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -13.130 1.103 17.871 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.542 1.064 17.069 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.477 2.175 14.367 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.401 0.775 14.589 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.889 0.610 13.627 1.00 0.00 H new ATOM 678 N ILE A 45 -11.083 -1.715 18.154 1.00 0.00 N ATOM 679 CA ILE A 45 -10.389 -1.397 19.434 1.00 0.00 C ATOM 680 C ILE A 45 -8.897 -1.714 19.304 1.00 0.00 C ATOM 681 O ILE A 45 -8.051 -0.885 19.574 1.00 0.00 O ATOM 682 CB ILE A 45 -10.989 -2.239 20.562 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.504 -2.346 20.373 1.00 0.00 C ATOM 684 CG2 ILE A 45 -10.688 -1.577 21.908 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.134 -2.937 21.637 1.00 0.00 C ATOM 0 H ILE A 45 -11.629 -2.576 18.159 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.516 -0.338 19.659 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.551 -3.237 20.541 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.926 -1.362 20.169 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.731 -2.975 19.512 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.115 -2.176 22.712 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.609 -1.504 22.044 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.125 -0.579 21.928 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.213 -3.014 21.504 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.720 -3.928 21.821 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.918 -2.290 22.488 1.00 0.00 H new ATOM 697 N ARG A 46 -8.567 -2.911 18.899 1.00 0.00 N ATOM 698 CA ARG A 46 -7.130 -3.282 18.761 1.00 0.00 C ATOM 699 C ARG A 46 -6.577 -2.740 17.442 1.00 0.00 C ATOM 700 O ARG A 46 -5.429 -2.354 17.351 1.00 0.00 O ATOM 701 CB ARG A 46 -6.993 -4.806 18.785 1.00 0.00 C ATOM 702 CG ARG A 46 -7.435 -5.334 20.151 1.00 0.00 C ATOM 703 CD ARG A 46 -7.265 -6.854 20.190 1.00 0.00 C ATOM 704 NE ARG A 46 -5.813 -7.193 20.185 1.00 0.00 N ATOM 705 CZ ARG A 46 -5.340 -8.022 19.296 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.100 -8.967 18.814 1.00 0.00 N ATOM 707 NH2 ARG A 46 -4.105 -7.908 18.890 1.00 0.00 N ATOM 0 H ARG A 46 -9.230 -3.647 18.658 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.567 -2.851 19.589 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.602 -5.249 17.997 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.960 -5.092 18.589 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.843 -4.871 20.941 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.476 -5.069 20.336 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.741 -7.261 21.082 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.758 -7.308 19.330 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.190 -6.777 20.877 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.065 -9.058 19.132 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.729 -9.615 18.119 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.510 -7.171 19.268 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.735 -8.556 18.195 1.00 0.00 H new ATOM 721 N GLN A 47 -7.384 -2.708 16.418 1.00 0.00 N ATOM 722 CA GLN A 47 -6.902 -2.191 15.106 1.00 0.00 C ATOM 723 C GLN A 47 -5.763 -3.076 14.594 1.00 0.00 C ATOM 724 O GLN A 47 -4.829 -2.603 13.974 1.00 0.00 O ATOM 725 CB GLN A 47 -6.392 -0.759 15.279 1.00 0.00 C ATOM 726 CG GLN A 47 -7.533 0.138 15.761 1.00 0.00 C ATOM 727 CD GLN A 47 -7.018 1.569 15.929 1.00 0.00 C ATOM 728 OE1 GLN A 47 -5.826 1.803 15.912 1.00 0.00 O ATOM 729 NE2 GLN A 47 -7.872 2.543 16.090 1.00 0.00 N ATOM 0 H GLN A 47 -8.356 -3.017 16.433 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.723 -2.203 14.389 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.572 -0.739 15.997 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.997 -0.386 14.334 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.354 0.117 15.045 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.926 -0.232 16.708 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.873 2.347 16.104 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.538 3.500 16.201 1.00 0.00 H new ATOM 738 N THR A 48 -5.828 -4.354 14.847 1.00 0.00 N ATOM 739 CA THR A 48 -4.745 -5.261 14.375 1.00 0.00 C ATOM 740 C THR A 48 -5.243 -6.078 13.180 1.00 0.00 C ATOM 741 O THR A 48 -4.581 -6.984 12.717 1.00 0.00 O ATOM 742 CB THR A 48 -4.342 -6.208 15.507 1.00 0.00 C ATOM 743 OG1 THR A 48 -5.446 -7.038 15.841 1.00 0.00 O ATOM 744 CG2 THR A 48 -3.922 -5.395 16.731 1.00 0.00 C ATOM 0 H THR A 48 -6.583 -4.809 15.360 1.00 0.00 H new ATOM 0 HA THR A 48 -3.883 -4.667 14.073 1.00 0.00 H new ATOM 0 HB THR A 48 -3.506 -6.827 15.183 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.190 -7.647 16.565 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.635 -6.071 17.536 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.075 -4.759 16.472 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.756 -4.774 17.059 1.00 0.00 H new ATOM 752 N ASN A 49 -6.406 -5.765 12.679 1.00 0.00 N ATOM 753 CA ASN A 49 -6.944 -6.527 11.516 1.00 0.00 C ATOM 754 C ASN A 49 -7.187 -7.979 11.929 1.00 0.00 C ATOM 755 O ASN A 49 -6.770 -8.905 11.261 1.00 0.00 O ATOM 756 CB ASN A 49 -5.938 -6.485 10.364 1.00 0.00 C ATOM 757 CG ASN A 49 -5.580 -5.031 10.051 1.00 0.00 C ATOM 758 OD1 ASN A 49 -4.419 -4.683 9.964 1.00 0.00 O ATOM 759 ND2 ASN A 49 -6.536 -4.161 9.874 1.00 0.00 N ATOM 0 H ASN A 49 -7.007 -5.016 13.024 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.883 -6.078 11.191 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.040 -7.042 10.631 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.360 -6.965 9.481 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.309 -3.189 9.663 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.511 -4.452 9.947 1.00 0.00 H new ATOM 766 N THR A 50 -7.863 -8.186 13.026 1.00 0.00 N ATOM 767 CA THR A 50 -8.138 -9.577 13.483 1.00 0.00 C ATOM 768 C THR A 50 -9.264 -10.175 12.639 1.00 0.00 C ATOM 769 O THR A 50 -10.288 -9.558 12.425 1.00 0.00 O ATOM 770 CB THR A 50 -8.561 -9.559 14.953 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.550 -8.926 15.726 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.762 -10.993 15.447 1.00 0.00 C ATOM 0 H THR A 50 -8.237 -7.451 13.626 1.00 0.00 H new ATOM 0 HA THR A 50 -7.237 -10.180 13.372 1.00 0.00 H new ATOM 0 HB THR A 50 -9.496 -9.009 15.056 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.010 -8.348 15.148 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.063 -10.978 16.494 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.537 -11.477 14.853 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.829 -11.547 15.346 1.00 0.00 H new ATOM 780 N HIS A 51 -9.082 -11.374 12.157 1.00 0.00 N ATOM 781 CA HIS A 51 -10.142 -12.010 11.328 1.00 0.00 C ATOM 782 C HIS A 51 -10.688 -13.241 12.053 1.00 0.00 C ATOM 783 O HIS A 51 -10.327 -13.521 13.180 1.00 0.00 O ATOM 784 CB HIS A 51 -9.548 -12.437 9.985 1.00 0.00 C ATOM 785 CG HIS A 51 -8.544 -11.412 9.535 1.00 0.00 C ATOM 786 ND1 HIS A 51 -8.919 -10.153 9.094 1.00 0.00 N ATOM 787 CD2 HIS A 51 -7.174 -11.445 9.453 1.00 0.00 C ATOM 788 CE1 HIS A 51 -7.797 -9.485 8.770 1.00 0.00 C ATOM 789 NE2 HIS A 51 -6.704 -10.226 8.971 1.00 0.00 N ATOM 0 H HIS A 51 -8.246 -11.939 12.302 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.949 -11.297 11.162 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.071 -13.413 10.079 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -10.338 -12.539 9.241 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.555 -12.288 9.721 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.782 -8.473 8.393 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.734 -9.957 8.807 1.00 0.00 H new ATOM 797 N ILE A 52 -11.556 -13.978 11.416 1.00 0.00 N ATOM 798 CA ILE A 52 -12.125 -15.188 12.071 1.00 0.00 C ATOM 799 C ILE A 52 -11.206 -16.386 11.827 1.00 0.00 C ATOM 800 O ILE A 52 -10.888 -16.726 10.705 1.00 0.00 O ATOM 801 CB ILE A 52 -13.509 -15.480 11.491 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.441 -14.300 11.778 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.071 -16.746 12.141 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.880 -14.695 11.440 1.00 0.00 C ATOM 0 H ILE A 52 -11.895 -13.794 10.472 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.210 -15.011 13.143 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.432 -15.626 10.414 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.368 -14.012 12.827 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.142 -13.434 11.188 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.058 -16.958 11.730 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.406 -17.585 11.938 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.150 -16.598 13.218 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.545 -13.856 11.644 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.946 -14.962 10.385 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.176 -15.549 12.050 1.00 0.00 H new ATOM 816 N ARG A 53 -10.783 -17.027 12.878 1.00 0.00 N ATOM 817 CA ARG A 53 -9.887 -18.208 12.740 1.00 0.00 C ATOM 818 C ARG A 53 -10.716 -19.437 12.383 1.00 0.00 C ATOM 819 O ARG A 53 -10.458 -20.118 11.411 1.00 0.00 O ATOM 820 CB ARG A 53 -9.186 -18.463 14.074 1.00 0.00 C ATOM 821 CG ARG A 53 -8.235 -19.651 13.935 1.00 0.00 C ATOM 822 CD ARG A 53 -7.363 -19.756 15.188 1.00 0.00 C ATOM 823 NE ARG A 53 -6.431 -20.910 15.051 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.812 -22.105 15.414 1.00 0.00 C ATOM 825 NH1 ARG A 53 -7.259 -22.946 14.523 1.00 0.00 N ATOM 826 NH2 ARG A 53 -6.746 -22.458 16.669 1.00 0.00 N ATOM 0 H ARG A 53 -11.022 -16.781 13.838 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.153 -18.016 11.958 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.633 -17.575 14.381 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.923 -18.664 14.851 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.803 -20.571 13.796 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.608 -19.527 13.052 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.799 -18.834 15.329 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.990 -19.884 16.070 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.494 -20.767 14.673 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.311 -22.670 13.542 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.557 -23.879 14.807 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.397 -21.800 17.366 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.044 -23.391 16.953 1.00 0.00 H new ATOM 840 N SER A 54 -11.702 -19.727 13.178 1.00 0.00 N ATOM 841 CA SER A 54 -12.552 -20.916 12.914 1.00 0.00 C ATOM 842 C SER A 54 -13.951 -20.674 13.479 1.00 0.00 C ATOM 843 O SER A 54 -14.110 -20.136 14.557 1.00 0.00 O ATOM 844 CB SER A 54 -11.930 -22.135 13.596 1.00 0.00 C ATOM 845 OG SER A 54 -12.066 -22.010 15.003 1.00 0.00 O ATOM 0 H SER A 54 -11.958 -19.188 14.005 1.00 0.00 H new ATOM 0 HA SER A 54 -12.621 -21.091 11.840 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.419 -23.046 13.252 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.877 -22.217 13.328 1.00 0.00 H new ATOM 0 HG SER A 54 -11.669 -22.792 15.441 1.00 0.00 H new ATOM 851 N THR A 55 -14.968 -21.065 12.763 1.00 0.00 N ATOM 852 CA THR A 55 -16.351 -20.853 13.268 1.00 0.00 C ATOM 853 C THR A 55 -16.483 -21.468 14.661 1.00 0.00 C ATOM 854 O THR A 55 -15.836 -22.444 14.984 1.00 0.00 O ATOM 855 CB THR A 55 -17.353 -21.513 12.317 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.377 -22.914 12.557 1.00 0.00 O ATOM 857 CG2 THR A 55 -16.936 -21.248 10.870 1.00 0.00 C ATOM 0 H THR A 55 -14.901 -21.521 11.853 1.00 0.00 H new ATOM 0 HA THR A 55 -16.558 -19.784 13.322 1.00 0.00 H new ATOM 0 HB THR A 55 -18.346 -21.097 12.488 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.019 -23.339 11.951 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.650 -21.718 10.194 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.917 -20.174 10.688 1.00 0.00 H new ATOM 0 HG23 THR A 55 -15.943 -21.663 10.696 1.00 0.00 H new ATOM 865 N GLY A 56 -17.313 -20.901 15.491 1.00 0.00 N ATOM 866 CA GLY A 56 -17.483 -21.446 16.866 1.00 0.00 C ATOM 867 C GLY A 56 -16.458 -20.799 17.795 1.00 0.00 C ATOM 868 O GLY A 56 -15.520 -20.164 17.357 1.00 0.00 O ATOM 0 H GLY A 56 -17.882 -20.082 15.276 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.493 -21.248 17.226 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.353 -22.528 16.859 1.00 0.00 H new ATOM 872 N LYS A 57 -16.632 -20.955 19.076 1.00 0.00 N ATOM 873 CA LYS A 57 -15.670 -20.350 20.038 1.00 0.00 C ATOM 874 C LYS A 57 -14.305 -21.027 19.892 1.00 0.00 C ATOM 875 O LYS A 57 -14.213 -22.216 19.658 1.00 0.00 O ATOM 876 CB LYS A 57 -16.185 -20.542 21.465 1.00 0.00 C ATOM 877 CG LYS A 57 -17.495 -19.771 21.642 1.00 0.00 C ATOM 878 CD LYS A 57 -17.859 -19.717 23.127 1.00 0.00 C ATOM 879 CE LYS A 57 -19.227 -19.052 23.292 1.00 0.00 C ATOM 880 NZ LYS A 57 -19.122 -17.932 24.270 1.00 0.00 N ATOM 0 H LYS A 57 -17.400 -21.476 19.500 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.570 -19.285 19.828 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.344 -21.601 21.666 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.443 -20.189 22.181 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.391 -18.761 21.245 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -18.293 -20.255 21.078 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.879 -20.724 23.544 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.102 -19.159 23.678 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -19.579 -18.677 22.331 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.959 -19.782 23.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -20.052 -17.480 24.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.804 -18.302 25.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.436 -17.231 23.923 1.00 0.00 H new ATOM 894 N CYS A 58 -13.244 -20.279 20.028 1.00 0.00 N ATOM 895 CA CYS A 58 -11.886 -20.880 19.896 1.00 0.00 C ATOM 896 C CYS A 58 -11.835 -22.198 20.668 1.00 0.00 C ATOM 897 O CYS A 58 -11.174 -23.138 20.270 1.00 0.00 O ATOM 898 CB CYS A 58 -10.845 -19.916 20.470 1.00 0.00 C ATOM 899 SG CYS A 58 -10.642 -18.508 19.351 1.00 0.00 S ATOM 0 H CYS A 58 -13.259 -19.278 20.225 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.672 -21.065 18.843 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -11.159 -19.569 21.454 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.893 -20.429 20.602 1.00 0.00 H new