USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 445 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 33 CYS SG : rot -111:sc= 0.173 USER MOD Set 1.2: A 36 CYS SG : rot -27:sc= -4.54! USER MOD Set 1.3: A 56 CYS SG : rot 180:sc= 0.961 USER MOD Set 2.1: A 6 CYS SG : rot -134:sc= 1.95 USER MOD Set 2.2: A 9 CYS SG : rot 129:sc= 1.53 USER MOD Set 2.3: A 11 GLN : amide:sc= -4.61! C(o=-7.1!,f=-6.7!) USER MOD Set 2.4: A 27 HIS : no HD1:sc= -4.34! K(o=-7.1!,f=-0.83) USER MOD Set 2.5: A 30 CYS SG : rot 147:sc= -1.64! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.19! K(o=-1.2!,f=-0.22) USER MOD Single : A 12 ASN : amide:sc= -0.801 K(o=-0.8,f=-4.3!) USER MOD Single : A 17 TYR OH : rot -94:sc= 0.171 USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 1 (180deg=0.93) USER MOD Single : A 24 GLN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 138:sc= 0.0908 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.638 K(o=0.64,f=-4.5!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.622 -4.964 -10.939 1.00 0.00 N ATOM 22 CA LEU A 3 -15.165 -5.658 -9.741 1.00 0.00 C ATOM 23 C LEU A 3 -13.716 -5.294 -9.435 1.00 0.00 C ATOM 24 O LEU A 3 -13.049 -4.626 -10.231 1.00 0.00 O ATOM 25 CB LEU A 3 -15.298 -7.177 -9.912 1.00 0.00 C ATOM 26 CG LEU A 3 -16.697 -7.776 -9.686 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.853 -8.243 -8.253 1.00 0.00 C ATOM 28 CD2 LEU A 3 -17.798 -6.789 -10.034 1.00 0.00 C ATOM 0 HA LEU A 3 -15.792 -5.344 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.976 -7.436 -10.921 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.605 -7.659 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 3 -16.793 -8.632 -10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.849 -8.663 -8.114 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.104 -9.004 -8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.718 -7.398 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -18.770 -7.252 -9.860 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -17.702 -5.901 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.714 -6.505 -11.083 1.00 0.00 H new ATOM 40 N LEU A 4 -13.244 -5.701 -8.268 1.00 0.00 N ATOM 41 CA LEU A 4 -11.899 -5.377 -7.835 1.00 0.00 C ATOM 42 C LEU A 4 -11.195 -6.588 -7.244 1.00 0.00 C ATOM 43 O LEU A 4 -11.798 -7.414 -6.558 1.00 0.00 O ATOM 44 CB LEU A 4 -11.940 -4.213 -6.872 1.00 0.00 C ATOM 45 CG LEU A 4 -11.810 -4.562 -5.424 1.00 0.00 C ATOM 46 CD1 LEU A 4 -10.972 -3.497 -4.762 1.00 0.00 C ATOM 47 CD2 LEU A 4 -13.171 -4.696 -4.764 1.00 0.00 C ATOM 0 H LEU A 4 -13.778 -6.259 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.312 -5.079 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.139 -3.521 -7.133 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.880 -3.680 -7.015 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.323 -5.531 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.861 -3.728 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.989 -3.464 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.460 -2.529 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.042 -4.950 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.710 -3.752 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.740 -5.482 -5.260 1.00 0.00 H new ATOM 59 N THR A 5 -9.939 -6.729 -7.610 1.00 0.00 N ATOM 60 CA THR A 5 -9.148 -7.897 -7.247 1.00 0.00 C ATOM 61 C THR A 5 -7.797 -7.490 -6.685 1.00 0.00 C ATOM 62 O THR A 5 -7.268 -6.440 -7.039 1.00 0.00 O ATOM 63 CB THR A 5 -8.921 -8.799 -8.475 1.00 0.00 C ATOM 64 OG1 THR A 5 -9.222 -8.071 -9.676 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.790 -10.043 -8.398 1.00 0.00 C ATOM 0 H THR A 5 -9.433 -6.041 -8.167 1.00 0.00 H new ATOM 0 HA THR A 5 -9.704 -8.443 -6.485 1.00 0.00 H new ATOM 0 HB THR A 5 -7.876 -9.107 -8.488 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.074 -8.648 -10.454 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.613 -10.665 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.541 -10.606 -7.498 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.840 -9.752 -8.365 1.00 0.00 H new ATOM 73 N CYS A 6 -7.234 -8.332 -5.830 1.00 0.00 N ATOM 74 CA CYS A 6 -5.927 -8.073 -5.260 1.00 0.00 C ATOM 75 C CYS A 6 -4.857 -8.718 -6.131 1.00 0.00 C ATOM 76 O CYS A 6 -5.077 -9.787 -6.701 1.00 0.00 O ATOM 77 CB CYS A 6 -5.881 -8.593 -3.815 1.00 0.00 C ATOM 78 SG CYS A 6 -4.324 -9.399 -3.306 1.00 0.00 S ATOM 0 H CYS A 6 -7.666 -9.201 -5.518 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.734 -7.001 -5.232 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.071 -7.757 -3.142 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.696 -9.303 -3.679 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.593 -10.510 -2.687 1.00 0.00 H new ATOM 83 N GLY A 7 -3.744 -8.020 -6.306 1.00 0.00 N ATOM 84 CA GLY A 7 -2.689 -8.498 -7.178 1.00 0.00 C ATOM 85 C GLY A 7 -1.953 -9.696 -6.608 1.00 0.00 C ATOM 86 O GLY A 7 -1.211 -10.373 -7.321 1.00 0.00 O ATOM 0 H GLY A 7 -3.552 -7.125 -5.856 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.116 -8.766 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.978 -7.691 -7.356 1.00 0.00 H new ATOM 90 N GLY A 8 -2.167 -9.972 -5.330 1.00 0.00 N ATOM 91 CA GLY A 8 -1.521 -11.106 -4.702 1.00 0.00 C ATOM 92 C GLY A 8 -2.406 -12.331 -4.683 1.00 0.00 C ATOM 93 O GLY A 8 -1.931 -13.454 -4.869 1.00 0.00 O ATOM 0 H GLY A 8 -2.776 -9.431 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.598 -11.336 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.244 -10.844 -3.681 1.00 0.00 H new ATOM 97 N CYS A 9 -3.691 -12.120 -4.447 1.00 0.00 N ATOM 98 CA CYS A 9 -4.642 -13.215 -4.377 1.00 0.00 C ATOM 99 C CYS A 9 -5.405 -13.375 -5.685 1.00 0.00 C ATOM 100 O CYS A 9 -5.369 -14.436 -6.310 1.00 0.00 O ATOM 101 CB CYS A 9 -5.647 -12.968 -3.263 1.00 0.00 C ATOM 102 SG CYS A 9 -4.935 -12.689 -1.613 1.00 0.00 S ATOM 0 H CYS A 9 -4.099 -11.197 -4.300 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.074 -14.124 -4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -6.253 -12.102 -3.529 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.321 -13.823 -3.209 1.00 0.00 H new ATOM 0 HG CYS A 9 -5.431 -11.600 -1.105 1.00 0.00 H new ATOM 107 N GLN A 10 -6.156 -12.327 -6.029 1.00 0.00 N ATOM 108 CA GLN A 10 -7.021 -12.304 -7.209 1.00 0.00 C ATOM 109 C GLN A 10 -8.306 -13.100 -6.967 1.00 0.00 C ATOM 110 O GLN A 10 -8.954 -13.552 -7.909 1.00 0.00 O ATOM 111 CB GLN A 10 -6.287 -12.823 -8.445 1.00 0.00 C ATOM 112 CG GLN A 10 -5.709 -11.724 -9.322 1.00 0.00 C ATOM 113 CD GLN A 10 -6.535 -11.474 -10.570 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.713 -10.330 -10.992 1.00 0.00 O ATOM 115 NE2 GLN A 10 -7.041 -12.539 -11.173 1.00 0.00 N ATOM 0 H GLN A 10 -6.181 -11.461 -5.490 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.296 -11.266 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.480 -13.483 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.975 -13.425 -9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.642 -10.802 -8.745 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.693 -11.993 -9.612 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.871 -13.470 -10.792 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.601 -12.428 -12.018 1.00 0.00 H new ATOM 124 N GLN A 11 -8.700 -13.214 -5.698 1.00 0.00 N ATOM 125 CA GLN A 11 -9.944 -13.894 -5.327 1.00 0.00 C ATOM 126 C GLN A 11 -11.125 -12.930 -5.392 1.00 0.00 C ATOM 127 O GLN A 11 -12.262 -13.324 -5.119 1.00 0.00 O ATOM 128 CB GLN A 11 -9.842 -14.462 -3.905 1.00 0.00 C ATOM 129 CG GLN A 11 -10.014 -13.407 -2.814 1.00 0.00 C ATOM 130 CD GLN A 11 -8.742 -12.663 -2.552 1.00 0.00 C ATOM 131 OE1 GLN A 11 -8.389 -11.731 -3.279 1.00 0.00 O ATOM 132 NE2 GLN A 11 -8.046 -13.069 -1.503 1.00 0.00 N ATOM 0 H GLN A 11 -8.174 -12.843 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.103 -14.708 -6.035 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.600 -15.234 -3.775 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.872 -14.944 -3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.792 -12.703 -3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.350 -13.887 -1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.385 -13.846 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.170 -12.605 -1.261 1.00 0.00 H new ATOM 141 N ASN A 12 -10.796 -11.650 -5.593 1.00 0.00 N ATOM 142 CA ASN A 12 -11.750 -10.536 -5.529 1.00 0.00 C ATOM 143 C ASN A 12 -11.856 -10.034 -4.095 1.00 0.00 C ATOM 144 O ASN A 12 -12.067 -10.813 -3.165 1.00 0.00 O ATOM 145 CB ASN A 12 -13.137 -10.902 -6.075 1.00 0.00 C ATOM 146 CG ASN A 12 -13.875 -9.703 -6.630 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.639 -9.286 -7.766 1.00 0.00 O ATOM 148 ND2 ASN A 12 -14.778 -9.141 -5.842 1.00 0.00 N ATOM 0 H ASN A 12 -9.844 -11.353 -5.808 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.366 -9.744 -6.172 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -13.029 -11.653 -6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.730 -11.353 -5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.308 -8.333 -6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.944 -9.516 -4.908 1.00 0.00 H new ATOM 155 N ILE A 13 -11.600 -8.750 -3.913 1.00 0.00 N ATOM 156 CA ILE A 13 -11.567 -8.155 -2.586 1.00 0.00 C ATOM 157 C ILE A 13 -12.978 -7.869 -2.088 1.00 0.00 C ATOM 158 O ILE A 13 -13.750 -7.168 -2.747 1.00 0.00 O ATOM 159 CB ILE A 13 -10.733 -6.858 -2.578 1.00 0.00 C ATOM 160 CG1 ILE A 13 -9.403 -7.090 -3.299 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.489 -6.379 -1.154 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.880 -5.878 -4.042 1.00 0.00 C ATOM 0 H ILE A 13 -11.411 -8.095 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 13 -11.095 -8.872 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.291 -6.083 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.657 -7.405 -2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.524 -7.911 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.899 -5.463 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.444 -6.184 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.949 -7.146 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.935 -6.127 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.604 -5.574 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.724 -5.060 -3.339 1.00 0.00 H new ATOM 174 N GLY A 14 -13.343 -8.502 -0.983 1.00 0.00 N ATOM 175 CA GLY A 14 -14.691 -8.378 -0.468 1.00 0.00 C ATOM 176 C GLY A 14 -14.721 -7.928 0.976 1.00 0.00 C ATOM 177 O GLY A 14 -15.786 -7.875 1.593 1.00 0.00 O ATOM 0 H GLY A 14 -12.728 -9.101 -0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.246 -7.666 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.200 -9.338 -0.557 1.00 0.00 H new ATOM 181 N ASP A 15 -13.554 -7.599 1.523 1.00 0.00 N ATOM 182 CA ASP A 15 -13.469 -7.156 2.913 1.00 0.00 C ATOM 183 C ASP A 15 -14.021 -5.750 3.071 1.00 0.00 C ATOM 184 O ASP A 15 -14.530 -5.155 2.120 1.00 0.00 O ATOM 185 CB ASP A 15 -12.030 -7.186 3.430 1.00 0.00 C ATOM 186 CG ASP A 15 -11.526 -8.594 3.663 1.00 0.00 C ATOM 187 OD1 ASP A 15 -11.972 -9.230 4.640 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.687 -9.074 2.873 1.00 0.00 O ATOM 0 H ASP A 15 -12.661 -7.630 1.031 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.068 -7.852 3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.380 -6.685 2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.971 -6.624 4.362 1.00 0.00 H new ATOM 193 N ARG A 16 -13.896 -5.216 4.274 1.00 0.00 N ATOM 194 CA ARG A 16 -14.401 -3.881 4.570 1.00 0.00 C ATOM 195 C ARG A 16 -13.374 -2.811 4.226 1.00 0.00 C ATOM 196 O ARG A 16 -13.728 -1.669 3.936 1.00 0.00 O ATOM 197 CB ARG A 16 -14.794 -3.761 6.048 1.00 0.00 C ATOM 198 CG ARG A 16 -13.768 -4.337 7.009 1.00 0.00 C ATOM 199 CD ARG A 16 -13.139 -3.256 7.873 1.00 0.00 C ATOM 200 NE ARG A 16 -11.904 -3.710 8.514 1.00 0.00 N ATOM 201 CZ ARG A 16 -11.068 -2.904 9.171 1.00 0.00 C ATOM 202 NH1 ARG A 16 -11.314 -1.601 9.240 1.00 0.00 N ATOM 203 NH2 ARG A 16 -9.980 -3.399 9.754 1.00 0.00 N ATOM 0 H ARG A 16 -13.450 -5.684 5.063 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.285 -3.725 3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -14.951 -2.709 6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -15.746 -4.268 6.202 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -14.244 -5.082 7.647 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.990 -4.851 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.927 -2.380 7.260 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.850 -2.945 8.638 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.669 -4.701 8.455 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.144 -1.214 8.790 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.673 -0.987 9.743 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.782 -4.398 9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.343 -2.779 10.255 1.00 0.00 H new ATOM 217 N TYR A 17 -12.102 -3.176 4.288 1.00 0.00 N ATOM 218 CA TYR A 17 -11.025 -2.224 4.072 1.00 0.00 C ATOM 219 C TYR A 17 -9.929 -2.886 3.250 1.00 0.00 C ATOM 220 O TYR A 17 -9.772 -4.109 3.308 1.00 0.00 O ATOM 221 CB TYR A 17 -10.471 -1.780 5.427 1.00 0.00 C ATOM 222 CG TYR A 17 -10.220 -0.293 5.545 1.00 0.00 C ATOM 223 CD1 TYR A 17 -11.227 0.623 5.267 1.00 0.00 C ATOM 224 CD2 TYR A 17 -8.987 0.195 5.955 1.00 0.00 C ATOM 225 CE1 TYR A 17 -11.014 1.980 5.390 1.00 0.00 C ATOM 226 CE2 TYR A 17 -8.766 1.553 6.085 1.00 0.00 C ATOM 227 CZ TYR A 17 -9.782 2.442 5.799 1.00 0.00 C ATOM 228 OH TYR A 17 -9.570 3.798 5.933 1.00 0.00 O ATOM 0 H TYR A 17 -11.791 -4.127 4.487 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.397 -1.352 3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.170 -2.081 6.207 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -9.537 -2.309 5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.195 0.266 4.948 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.188 -0.497 6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.808 2.677 5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.802 1.917 6.409 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.183 4.152 5.105 1.00 0.00 H new ATOM 238 N PHE A 18 -9.203 -2.103 2.463 1.00 0.00 N ATOM 239 CA PHE A 18 -8.144 -2.649 1.619 1.00 0.00 C ATOM 240 C PHE A 18 -7.148 -1.565 1.219 1.00 0.00 C ATOM 241 O PHE A 18 -7.271 -0.411 1.635 1.00 0.00 O ATOM 242 CB PHE A 18 -8.738 -3.319 0.374 1.00 0.00 C ATOM 243 CG PHE A 18 -9.157 -2.366 -0.713 1.00 0.00 C ATOM 244 CD1 PHE A 18 -10.200 -1.472 -0.518 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.510 -2.375 -1.936 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.584 -0.610 -1.522 1.00 0.00 C ATOM 247 CE2 PHE A 18 -8.889 -1.511 -2.941 1.00 0.00 C ATOM 248 CZ PHE A 18 -9.926 -0.628 -2.733 1.00 0.00 C ATOM 0 H PHE A 18 -9.325 -1.093 2.390 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.609 -3.403 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.003 -4.014 -0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.603 -3.910 0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.716 -1.452 0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.698 -3.067 -2.105 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -11.400 0.079 -1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.374 -1.526 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.223 0.050 -3.519 1.00 0.00 H new ATOM 258 N LEU A 19 -6.182 -1.939 0.390 1.00 0.00 N ATOM 259 CA LEU A 19 -5.166 -1.012 -0.082 1.00 0.00 C ATOM 260 C LEU A 19 -4.990 -1.134 -1.590 1.00 0.00 C ATOM 261 O LEU A 19 -5.105 -2.220 -2.144 1.00 0.00 O ATOM 262 CB LEU A 19 -3.832 -1.295 0.610 1.00 0.00 C ATOM 263 CG LEU A 19 -3.685 -0.701 2.008 1.00 0.00 C ATOM 264 CD1 LEU A 19 -2.605 -1.434 2.782 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.365 0.778 1.920 1.00 0.00 C ATOM 0 H LEU A 19 -6.082 -2.888 0.029 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.490 0.001 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.697 -2.375 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.027 -0.911 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.630 -0.819 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.512 -0.999 3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.872 -2.487 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.655 -1.343 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.263 1.189 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.431 0.916 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.170 1.294 1.397 1.00 0.00 H new ATOM 277 N LYS A 20 -4.680 -0.026 -2.239 1.00 0.00 N ATOM 278 CA LYS A 20 -4.427 -0.012 -3.674 1.00 0.00 C ATOM 279 C LYS A 20 -3.651 1.263 -4.012 1.00 0.00 C ATOM 280 O LYS A 20 -3.840 2.273 -3.327 1.00 0.00 O ATOM 281 CB LYS A 20 -5.762 -0.094 -4.447 1.00 0.00 C ATOM 282 CG LYS A 20 -6.047 1.069 -5.395 1.00 0.00 C ATOM 283 CD LYS A 20 -6.875 2.160 -4.729 1.00 0.00 C ATOM 284 CE LYS A 20 -8.289 1.689 -4.422 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.128 1.571 -5.646 1.00 0.00 N ATOM 0 H LYS A 20 -4.596 0.887 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.832 -0.876 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.772 -1.020 -5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.576 -0.159 -3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.105 1.491 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.575 0.699 -6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.388 2.473 -3.806 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.916 3.033 -5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.246 0.722 -3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.759 2.387 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.114 1.380 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.083 2.460 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.774 0.791 -6.236 1.00 0.00 H new ATOM 299 N ALA A 21 -2.788 1.232 -5.041 1.00 0.00 N ATOM 300 CA ALA A 21 -2.025 2.432 -5.424 1.00 0.00 C ATOM 301 C ALA A 21 -1.116 2.186 -6.625 1.00 0.00 C ATOM 302 O ALA A 21 -0.931 3.071 -7.459 1.00 0.00 O ATOM 303 CB ALA A 21 -1.188 2.941 -4.257 1.00 0.00 C ATOM 0 H ALA A 21 -2.603 0.408 -5.612 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.761 3.186 -5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.634 3.828 -4.566 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.843 3.194 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.488 2.166 -3.946 1.00 0.00 H new ATOM 309 N ILE A 22 -0.438 1.042 -6.625 1.00 0.00 N ATOM 310 CA ILE A 22 0.572 0.737 -7.640 1.00 0.00 C ATOM 311 C ILE A 22 0.022 0.885 -9.058 1.00 0.00 C ATOM 312 O ILE A 22 0.558 1.642 -9.869 1.00 0.00 O ATOM 313 CB ILE A 22 1.112 -0.702 -7.470 1.00 0.00 C ATOM 314 CG1 ILE A 22 1.646 -0.906 -6.047 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.194 -0.986 -8.501 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.492 -2.151 -5.873 1.00 0.00 C ATOM 0 H ILE A 22 -0.569 0.306 -5.931 1.00 0.00 H new ATOM 0 HA ILE A 22 1.378 1.457 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 22 0.295 -1.405 -7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.238 -0.036 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.803 -0.954 -5.358 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.565 -2.003 -8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.779 -0.878 -9.503 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.015 -0.281 -8.371 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.829 -2.220 -4.839 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.899 -3.031 -6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.357 -2.098 -6.534 1.00 0.00 H new ATOM 328 N ASP A 23 -1.060 0.167 -9.328 1.00 0.00 N ATOM 329 CA ASP A 23 -1.700 0.148 -10.648 1.00 0.00 C ATOM 330 C ASP A 23 -2.817 -0.882 -10.639 1.00 0.00 C ATOM 331 O ASP A 23 -3.618 -0.977 -11.567 1.00 0.00 O ATOM 332 CB ASP A 23 -0.685 -0.204 -11.746 1.00 0.00 C ATOM 333 CG ASP A 23 -1.282 -0.193 -13.140 1.00 0.00 C ATOM 334 OD1 ASP A 23 -1.947 0.797 -13.511 1.00 0.00 O ATOM 335 OD2 ASP A 23 -1.077 -1.176 -13.882 1.00 0.00 O ATOM 0 H ASP A 23 -1.525 -0.423 -8.638 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.101 1.139 -10.860 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.142 0.504 -11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.269 -1.191 -11.544 1.00 0.00 H new ATOM 340 N GLN A 24 -2.902 -1.601 -9.535 1.00 0.00 N ATOM 341 CA GLN A 24 -3.942 -2.582 -9.331 1.00 0.00 C ATOM 342 C GLN A 24 -4.334 -2.577 -7.867 1.00 0.00 C ATOM 343 O GLN A 24 -3.655 -1.960 -7.042 1.00 0.00 O ATOM 344 CB GLN A 24 -3.467 -3.970 -9.769 1.00 0.00 C ATOM 345 CG GLN A 24 -2.427 -4.584 -8.847 1.00 0.00 C ATOM 346 CD GLN A 24 -1.090 -4.798 -9.527 1.00 0.00 C ATOM 347 OE1 GLN A 24 -0.552 -5.904 -9.527 1.00 0.00 O ATOM 348 NE2 GLN A 24 -0.544 -3.744 -10.112 1.00 0.00 N ATOM 0 H GLN A 24 -2.249 -1.518 -8.756 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.812 -2.330 -9.938 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.327 -4.637 -9.825 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.051 -3.901 -10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.289 -3.937 -7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.797 -5.539 -8.475 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.022 -2.843 -10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.355 -3.832 -10.585 1.00 0.00 H new ATOM 357 N TYR A 25 -5.421 -3.245 -7.547 1.00 0.00 N ATOM 358 CA TYR A 25 -5.904 -3.281 -6.180 1.00 0.00 C ATOM 359 C TYR A 25 -5.240 -4.402 -5.403 1.00 0.00 C ATOM 360 O TYR A 25 -4.687 -5.335 -5.988 1.00 0.00 O ATOM 361 CB TYR A 25 -7.421 -3.445 -6.149 1.00 0.00 C ATOM 362 CG TYR A 25 -8.148 -2.604 -7.169 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.962 -1.232 -7.225 1.00 0.00 C ATOM 364 CD2 TYR A 25 -9.022 -3.187 -8.073 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.627 -0.462 -8.156 1.00 0.00 C ATOM 366 CE2 TYR A 25 -9.694 -2.422 -9.009 1.00 0.00 C ATOM 367 CZ TYR A 25 -9.492 -1.059 -9.046 1.00 0.00 C ATOM 368 OH TYR A 25 -10.158 -0.288 -9.972 1.00 0.00 O ATOM 0 H TYR A 25 -5.988 -3.771 -8.212 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.646 -2.333 -5.707 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.667 -4.494 -6.316 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.784 -3.187 -5.154 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.286 -0.758 -6.529 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.181 -4.255 -8.046 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.470 0.606 -8.187 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.373 -2.890 -9.707 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.728 -0.861 -10.525 1.00 0.00 H new ATOM 378 N TRP A 26 -5.226 -4.262 -4.091 1.00 0.00 N ATOM 379 CA TRP A 26 -4.587 -5.236 -3.229 1.00 0.00 C ATOM 380 C TRP A 26 -5.454 -5.512 -2.011 1.00 0.00 C ATOM 381 O TRP A 26 -6.564 -4.991 -1.889 1.00 0.00 O ATOM 382 CB TRP A 26 -3.220 -4.726 -2.760 1.00 0.00 C ATOM 383 CG TRP A 26 -2.290 -4.356 -3.872 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.169 -3.134 -4.469 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.346 -5.212 -4.510 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.207 -3.182 -5.446 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.683 -4.450 -5.489 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.997 -6.553 -4.345 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.311 -4.988 -6.301 1.00 0.00 C ATOM 390 CZ3 TRP A 26 -0.012 -7.088 -5.151 1.00 0.00 C ATOM 391 CH2 TRP A 26 0.634 -6.305 -6.117 1.00 0.00 C ATOM 0 H TRP A 26 -5.653 -3.478 -3.597 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.454 -6.155 -3.801 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.369 -3.856 -2.121 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.749 -5.494 -2.147 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.746 -2.258 -4.210 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.927 -2.403 -6.042 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.489 -7.161 -3.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.809 -4.388 -7.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.265 -8.125 -5.035 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.404 -6.751 -6.730 1.00 0.00 H new ATOM 402 N HIS A 27 -4.847 -6.144 -1.030 1.00 0.00 N ATOM 403 CA HIS A 27 -5.459 -6.308 0.274 1.00 0.00 C ATOM 404 C HIS A 27 -4.665 -5.476 1.270 1.00 0.00 C ATOM 405 O HIS A 27 -3.551 -5.043 0.960 1.00 0.00 O ATOM 406 CB HIS A 27 -5.444 -7.778 0.702 1.00 0.00 C ATOM 407 CG HIS A 27 -6.630 -8.577 0.250 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.489 -9.692 -0.546 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.944 -8.408 0.539 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.711 -10.178 -0.722 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.624 -9.429 -0.080 1.00 0.00 N ATOM 0 H HIS A 27 -3.918 -6.558 -1.112 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.498 -5.981 0.236 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.539 -8.246 0.314 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.385 -7.825 1.789 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.374 -7.621 1.141 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.941 -11.058 -1.304 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.631 -9.588 -0.057 1.00 0.00 H new ATOM 419 N GLU A 28 -5.210 -5.269 2.455 1.00 0.00 N ATOM 420 CA GLU A 28 -4.533 -4.496 3.482 1.00 0.00 C ATOM 421 C GLU A 28 -3.226 -5.174 3.904 1.00 0.00 C ATOM 422 O GLU A 28 -2.175 -4.538 3.972 1.00 0.00 O ATOM 423 CB GLU A 28 -5.453 -4.319 4.686 1.00 0.00 C ATOM 424 CG GLU A 28 -6.121 -2.955 4.748 1.00 0.00 C ATOM 425 CD GLU A 28 -5.712 -2.166 5.973 1.00 0.00 C ATOM 426 OE1 GLU A 28 -4.555 -1.701 6.027 1.00 0.00 O ATOM 427 OE2 GLU A 28 -6.541 -2.001 6.890 1.00 0.00 O ATOM 0 H GLU A 28 -6.124 -5.627 2.731 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.287 -3.516 3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.223 -5.090 4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.877 -4.474 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.866 -2.388 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.203 -3.083 4.747 1.00 0.00 H new ATOM 434 N ASP A 29 -3.305 -6.461 4.209 1.00 0.00 N ATOM 435 CA ASP A 29 -2.156 -7.218 4.663 1.00 0.00 C ATOM 436 C ASP A 29 -1.419 -7.874 3.498 1.00 0.00 C ATOM 437 O ASP A 29 -0.442 -8.598 3.690 1.00 0.00 O ATOM 438 CB ASP A 29 -2.614 -8.269 5.681 1.00 0.00 C ATOM 439 CG ASP A 29 -3.082 -9.574 5.054 1.00 0.00 C ATOM 440 OD1 ASP A 29 -4.286 -9.693 4.742 1.00 0.00 O ATOM 441 OD2 ASP A 29 -2.257 -10.498 4.894 1.00 0.00 O ATOM 0 H ASP A 29 -4.166 -7.005 4.148 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.453 -6.534 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.792 -8.480 6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.426 -7.853 6.278 1.00 0.00 H new ATOM 446 N CYS A 30 -1.869 -7.590 2.288 1.00 0.00 N ATOM 447 CA CYS A 30 -1.268 -8.175 1.100 1.00 0.00 C ATOM 448 C CYS A 30 -0.161 -7.303 0.528 1.00 0.00 C ATOM 449 O CYS A 30 0.886 -7.810 0.114 1.00 0.00 O ATOM 450 CB CYS A 30 -2.340 -8.443 0.055 1.00 0.00 C ATOM 451 SG CYS A 30 -3.022 -10.123 0.198 1.00 0.00 S ATOM 0 H CYS A 30 -2.648 -6.958 2.101 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.807 -9.119 1.391 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.143 -7.715 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.919 -8.306 -0.941 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.279 -10.111 -0.134 1.00 0.00 H new ATOM 456 N LEU A 31 -0.388 -6.005 0.493 1.00 0.00 N ATOM 457 CA LEU A 31 0.623 -5.074 0.008 1.00 0.00 C ATOM 458 C LEU A 31 1.730 -4.904 1.045 1.00 0.00 C ATOM 459 O LEU A 31 1.732 -3.956 1.830 1.00 0.00 O ATOM 460 CB LEU A 31 0.002 -3.720 -0.336 1.00 0.00 C ATOM 461 CG LEU A 31 0.269 -3.233 -1.762 1.00 0.00 C ATOM 462 CD1 LEU A 31 -0.214 -1.806 -1.937 1.00 0.00 C ATOM 463 CD2 LEU A 31 1.751 -3.338 -2.101 1.00 0.00 C ATOM 0 H LEU A 31 -1.259 -5.568 0.793 1.00 0.00 H new ATOM 0 HA LEU A 31 1.056 -5.488 -0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.076 -3.782 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.380 -2.975 0.364 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.285 -3.873 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.016 -1.477 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.285 -1.758 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.311 -1.156 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.917 -2.986 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.327 -2.726 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.070 -4.377 -2.019 1.00 0.00 H new ATOM 475 N SER A 32 2.637 -5.866 1.068 1.00 0.00 N ATOM 476 CA SER A 32 3.735 -5.867 2.014 1.00 0.00 C ATOM 477 C SER A 32 5.062 -5.623 1.302 1.00 0.00 C ATOM 478 O SER A 32 5.147 -5.704 0.072 1.00 0.00 O ATOM 479 CB SER A 32 3.776 -7.200 2.759 1.00 0.00 C ATOM 480 OG SER A 32 2.464 -7.695 2.981 1.00 0.00 O ATOM 0 H SER A 32 2.632 -6.664 0.433 1.00 0.00 H new ATOM 0 HA SER A 32 3.577 -5.060 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.351 -7.926 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.288 -7.073 3.713 1.00 0.00 H new ATOM 0 HG SER A 32 2.513 -8.550 3.458 1.00 0.00 H new ATOM 486 N CYS A 33 6.088 -5.305 2.079 1.00 0.00 N ATOM 487 CA CYS A 33 7.406 -5.041 1.545 1.00 0.00 C ATOM 488 C CYS A 33 8.100 -6.327 1.114 1.00 0.00 C ATOM 489 O CYS A 33 7.735 -7.424 1.547 1.00 0.00 O ATOM 490 CB CYS A 33 8.246 -4.340 2.601 1.00 0.00 C ATOM 491 SG CYS A 33 8.335 -2.535 2.422 1.00 0.00 S ATOM 0 H CYS A 33 6.025 -5.224 3.094 1.00 0.00 H new ATOM 0 HA CYS A 33 7.297 -4.405 0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.839 -4.575 3.585 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.257 -4.745 2.570 1.00 0.00 H new ATOM 0 HG CYS A 33 9.541 -2.192 2.079 1.00 0.00 H new ATOM 496 N ASP A 34 9.155 -6.169 0.333 1.00 0.00 N ATOM 497 CA ASP A 34 9.977 -7.294 -0.088 1.00 0.00 C ATOM 498 C ASP A 34 10.858 -7.747 1.059 1.00 0.00 C ATOM 499 O ASP A 34 10.945 -8.932 1.368 1.00 0.00 O ATOM 500 CB ASP A 34 10.855 -6.901 -1.275 1.00 0.00 C ATOM 501 CG ASP A 34 11.455 -8.100 -1.981 1.00 0.00 C ATOM 502 OD1 ASP A 34 10.705 -8.828 -2.659 1.00 0.00 O ATOM 503 OD2 ASP A 34 12.680 -8.319 -1.861 1.00 0.00 O ATOM 0 H ASP A 34 9.465 -5.266 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 34 9.318 -8.109 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.262 -6.325 -1.986 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.657 -6.250 -0.928 1.00 0.00 H new ATOM 508 N LEU A 35 11.524 -6.786 1.676 1.00 0.00 N ATOM 509 CA LEU A 35 12.428 -7.077 2.778 1.00 0.00 C ATOM 510 C LEU A 35 11.728 -6.930 4.123 1.00 0.00 C ATOM 511 O LEU A 35 11.654 -7.887 4.894 1.00 0.00 O ATOM 512 CB LEU A 35 13.636 -6.151 2.720 1.00 0.00 C ATOM 513 CG LEU A 35 14.791 -6.536 3.641 1.00 0.00 C ATOM 514 CD1 LEU A 35 15.497 -7.779 3.121 1.00 0.00 C ATOM 515 CD2 LEU A 35 15.773 -5.383 3.772 1.00 0.00 C ATOM 0 H LEU A 35 11.457 -5.798 1.434 1.00 0.00 H new ATOM 0 HA LEU A 35 12.757 -8.111 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.004 -6.122 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.313 -5.141 2.971 1.00 0.00 H new ATOM 0 HG LEU A 35 14.385 -6.758 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.317 -8.038 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.790 -8.607 3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.891 -7.583 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.590 -5.674 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.172 -5.132 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.262 -4.515 4.189 1.00 0.00 H new ATOM 527 N CYS A 36 11.252 -5.721 4.410 1.00 0.00 N ATOM 528 CA CYS A 36 10.581 -5.430 5.673 1.00 0.00 C ATOM 529 C CYS A 36 9.410 -6.378 5.908 1.00 0.00 C ATOM 530 O CYS A 36 9.407 -7.166 6.852 1.00 0.00 O ATOM 531 CB CYS A 36 10.082 -3.984 5.671 1.00 0.00 C ATOM 532 SG CYS A 36 11.292 -2.785 5.024 1.00 0.00 S ATOM 0 H CYS A 36 11.320 -4.922 3.779 1.00 0.00 H new ATOM 0 HA CYS A 36 11.300 -5.571 6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.172 -3.925 5.074 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.814 -3.701 6.689 1.00 0.00 H new ATOM 0 HG CYS A 36 12.496 -3.238 5.214 1.00 0.00 H new ATOM 537 N GLY A 37 8.433 -6.307 5.022 1.00 0.00 N ATOM 538 CA GLY A 37 7.272 -7.174 5.114 1.00 0.00 C ATOM 539 C GLY A 37 6.188 -6.618 6.018 1.00 0.00 C ATOM 540 O GLY A 37 5.075 -7.146 6.060 1.00 0.00 O ATOM 0 H GLY A 37 8.420 -5.660 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.861 -7.329 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.583 -8.150 5.486 1.00 0.00 H new ATOM 710 N TYR A 48 7.002 3.349 -5.415 1.00 0.00 N ATOM 711 CA TYR A 48 8.058 2.786 -6.221 1.00 0.00 C ATOM 712 C TYR A 48 8.367 1.351 -5.797 1.00 0.00 C ATOM 713 O TYR A 48 8.306 1.015 -4.616 1.00 0.00 O ATOM 714 CB TYR A 48 9.294 3.694 -6.130 1.00 0.00 C ATOM 715 CG TYR A 48 10.549 3.025 -5.629 1.00 0.00 C ATOM 716 CD1 TYR A 48 11.362 2.316 -6.500 1.00 0.00 C ATOM 717 CD2 TYR A 48 10.923 3.107 -4.292 1.00 0.00 C ATOM 718 CE1 TYR A 48 12.513 1.704 -6.059 1.00 0.00 C ATOM 719 CE2 TYR A 48 12.075 2.496 -3.845 1.00 0.00 C ATOM 720 CZ TYR A 48 12.864 1.794 -4.732 1.00 0.00 C ATOM 721 OH TYR A 48 14.012 1.188 -4.291 1.00 0.00 O ATOM 0 HA TYR A 48 7.738 2.737 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 48 9.493 4.109 -7.118 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.061 4.532 -5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.087 2.243 -7.542 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.304 3.655 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.137 1.157 -6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.358 2.567 -2.805 1.00 0.00 H new ATOM 0 HH TYR A 48 14.481 1.787 -3.673 1.00 0.00 H new ATOM 731 N TYR A 49 8.705 0.523 -6.773 1.00 0.00 N ATOM 732 CA TYR A 49 9.105 -0.856 -6.532 1.00 0.00 C ATOM 733 C TYR A 49 10.153 -1.249 -7.571 1.00 0.00 C ATOM 734 O TYR A 49 10.277 -0.593 -8.605 1.00 0.00 O ATOM 735 CB TYR A 49 7.892 -1.800 -6.566 1.00 0.00 C ATOM 736 CG TYR A 49 7.248 -1.957 -7.926 1.00 0.00 C ATOM 737 CD1 TYR A 49 6.288 -1.054 -8.362 1.00 0.00 C ATOM 738 CD2 TYR A 49 7.590 -3.011 -8.766 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.687 -1.194 -9.596 1.00 0.00 C ATOM 740 CE2 TYR A 49 6.994 -3.156 -10.003 1.00 0.00 C ATOM 741 CZ TYR A 49 6.044 -2.244 -10.412 1.00 0.00 C ATOM 742 OH TYR A 49 5.439 -2.388 -11.641 1.00 0.00 O ATOM 0 H TYR A 49 8.710 0.788 -7.758 1.00 0.00 H new ATOM 0 HA TYR A 49 9.538 -0.943 -5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.204 -2.782 -6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.143 -1.432 -5.865 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.007 -0.228 -7.725 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.333 -3.727 -8.446 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.941 -0.484 -9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.270 -3.978 -10.646 1.00 0.00 H new ATOM 0 HH TYR A 49 5.803 -3.177 -12.094 1.00 0.00 H new ATOM 752 N LYS A 50 10.961 -2.251 -7.263 1.00 0.00 N ATOM 753 CA LYS A 50 12.053 -2.652 -8.142 1.00 0.00 C ATOM 754 C LYS A 50 11.561 -3.600 -9.236 1.00 0.00 C ATOM 755 O LYS A 50 10.392 -3.977 -9.259 1.00 0.00 O ATOM 756 CB LYS A 50 13.189 -3.289 -7.334 1.00 0.00 C ATOM 757 CG LYS A 50 14.563 -2.717 -7.657 1.00 0.00 C ATOM 758 CD LYS A 50 14.642 -1.231 -7.346 1.00 0.00 C ATOM 759 CE LYS A 50 16.066 -0.711 -7.465 1.00 0.00 C ATOM 760 NZ LYS A 50 16.137 0.543 -8.260 1.00 0.00 N ATOM 0 H LYS A 50 10.883 -2.804 -6.409 1.00 0.00 H new ATOM 0 HA LYS A 50 12.441 -1.757 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.989 -3.152 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.199 -4.363 -7.521 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.322 -3.249 -7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.786 -2.880 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.994 -0.681 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.270 -1.049 -6.338 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.471 -0.532 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.692 -1.472 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.125 0.863 -8.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.775 0.367 -9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.561 1.278 -7.802 1.00 0.00 H new ATOM 774 N LEU A 51 12.446 -3.884 -10.185 1.00 0.00 N ATOM 775 CA LEU A 51 12.148 -4.685 -11.381 1.00 0.00 C ATOM 776 C LEU A 51 11.841 -6.149 -11.056 1.00 0.00 C ATOM 777 O LEU A 51 12.417 -7.067 -11.643 1.00 0.00 O ATOM 778 CB LEU A 51 13.317 -4.620 -12.386 1.00 0.00 C ATOM 779 CG LEU A 51 14.757 -4.566 -11.819 1.00 0.00 C ATOM 780 CD1 LEU A 51 15.157 -3.136 -11.497 1.00 0.00 C ATOM 781 CD2 LEU A 51 14.932 -5.462 -10.594 1.00 0.00 C ATOM 0 H LEU A 51 13.413 -3.560 -10.150 1.00 0.00 H new ATOM 0 HA LEU A 51 11.252 -4.249 -11.823 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.247 -5.491 -13.038 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.171 -3.740 -13.013 1.00 0.00 H new ATOM 0 HG LEU A 51 15.419 -4.949 -12.595 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.172 -3.123 -11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 51 15.114 -2.533 -12.404 1.00 0.00 H new ATOM 0 HD13 LEU A 51 14.472 -2.725 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 51 15.958 -5.389 -10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.248 -5.142 -9.808 1.00 0.00 H new ATOM 0 HD23 LEU A 51 14.715 -6.495 -10.865 1.00 0.00 H new ATOM 793 N GLY A 52 10.913 -6.351 -10.156 1.00 0.00 N ATOM 794 CA GLY A 52 10.509 -7.691 -9.784 1.00 0.00 C ATOM 795 C GLY A 52 10.373 -7.841 -8.290 1.00 0.00 C ATOM 796 O GLY A 52 10.024 -8.909 -7.790 1.00 0.00 O ATOM 0 H GLY A 52 10.420 -5.606 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.558 -7.930 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.241 -8.408 -10.156 1.00 0.00 H new ATOM 800 N ARG A 53 10.652 -6.766 -7.572 1.00 0.00 N ATOM 801 CA ARG A 53 10.558 -6.777 -6.124 1.00 0.00 C ATOM 802 C ARG A 53 9.779 -5.569 -5.641 1.00 0.00 C ATOM 803 O ARG A 53 10.211 -4.432 -5.822 1.00 0.00 O ATOM 804 CB ARG A 53 11.952 -6.782 -5.493 1.00 0.00 C ATOM 805 CG ARG A 53 12.891 -7.811 -6.096 1.00 0.00 C ATOM 806 CD ARG A 53 13.561 -8.654 -5.025 1.00 0.00 C ATOM 807 NE ARG A 53 13.525 -10.078 -5.351 1.00 0.00 N ATOM 808 CZ ARG A 53 13.220 -11.039 -4.480 1.00 0.00 C ATOM 809 NH1 ARG A 53 12.910 -10.735 -3.226 1.00 0.00 N ATOM 810 NH2 ARG A 53 13.212 -12.308 -4.868 1.00 0.00 N ATOM 0 H ARG A 53 10.946 -5.874 -7.970 1.00 0.00 H new ATOM 0 HA ARG A 53 10.035 -7.684 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.394 -5.792 -5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.857 -6.972 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.335 -8.458 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.652 -7.305 -6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.596 -8.335 -4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.065 -8.488 -4.069 1.00 0.00 H new ATOM 0 HE ARG A 53 13.748 -10.354 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.904 -9.761 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.677 -11.476 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.439 -12.548 -5.833 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.979 -13.044 -4.201 1.00 0.00 H new ATOM 824 N LYS A 54 8.666 -5.816 -4.970 1.00 0.00 N ATOM 825 CA LYS A 54 7.872 -4.739 -4.397 1.00 0.00 C ATOM 826 C LYS A 54 8.465 -4.320 -3.060 1.00 0.00 C ATOM 827 O LYS A 54 7.864 -4.518 -2.003 1.00 0.00 O ATOM 828 CB LYS A 54 6.412 -5.169 -4.215 1.00 0.00 C ATOM 829 CG LYS A 54 5.879 -6.039 -5.341 1.00 0.00 C ATOM 830 CD LYS A 54 4.690 -6.869 -4.883 1.00 0.00 C ATOM 831 CE LYS A 54 5.007 -8.357 -4.903 1.00 0.00 C ATOM 832 NZ LYS A 54 4.788 -8.989 -3.575 1.00 0.00 N ATOM 0 H LYS A 54 8.291 -6.751 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 54 7.892 -3.892 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.318 -5.712 -3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.789 -4.278 -4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.584 -5.410 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.669 -6.699 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.404 -6.571 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.835 -6.669 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.383 -8.851 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.043 -8.503 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.015 -10.002 -3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.402 -8.535 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.793 -8.872 -3.295 1.00 0.00 H new ATOM 846 N LEU A 55 9.656 -3.760 -3.129 1.00 0.00 N ATOM 847 CA LEU A 55 10.378 -3.297 -1.957 1.00 0.00 C ATOM 848 C LEU A 55 10.192 -1.792 -1.794 1.00 0.00 C ATOM 849 O LEU A 55 9.715 -1.121 -2.713 1.00 0.00 O ATOM 850 CB LEU A 55 11.864 -3.667 -2.093 1.00 0.00 C ATOM 851 CG LEU A 55 12.771 -2.643 -2.794 1.00 0.00 C ATOM 852 CD1 LEU A 55 14.202 -3.148 -2.824 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.292 -2.356 -4.206 1.00 0.00 C ATOM 0 H LEU A 55 10.155 -3.612 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 55 9.984 -3.781 -1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.262 -3.846 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.931 -4.609 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 55 12.728 -1.713 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.836 -2.415 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.556 -3.300 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.243 -4.092 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.955 -1.628 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.298 -3.278 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.279 -1.955 -4.172 1.00 0.00 H new ATOM 865 N CYS A 56 10.616 -1.249 -0.663 1.00 0.00 N ATOM 866 CA CYS A 56 10.552 0.186 -0.468 1.00 0.00 C ATOM 867 C CYS A 56 11.903 0.807 -0.732 1.00 0.00 C ATOM 868 O CYS A 56 12.844 0.136 -1.138 1.00 0.00 O ATOM 869 CB CYS A 56 10.080 0.566 0.938 1.00 0.00 C ATOM 870 SG CYS A 56 11.205 0.073 2.284 1.00 0.00 S ATOM 0 H CYS A 56 11.002 -1.774 0.122 1.00 0.00 H new ATOM 0 HA CYS A 56 9.818 0.571 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.939 1.646 0.979 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.105 0.111 1.114 1.00 0.00 H new ATOM 0 HG CYS A 56 10.706 0.446 3.425 1.00 0.00 H new ATOM 875 N ARG A 57 11.990 2.087 -0.462 1.00 0.00 N ATOM 876 CA ARG A 57 13.236 2.814 -0.611 1.00 0.00 C ATOM 877 C ARG A 57 14.156 2.529 0.569 1.00 0.00 C ATOM 878 O ARG A 57 15.380 2.522 0.436 1.00 0.00 O ATOM 879 CB ARG A 57 12.951 4.309 -0.712 1.00 0.00 C ATOM 880 CG ARG A 57 14.103 5.186 -0.255 1.00 0.00 C ATOM 881 CD ARG A 57 14.662 5.997 -1.399 1.00 0.00 C ATOM 882 NE ARG A 57 14.713 7.420 -1.068 1.00 0.00 N ATOM 883 CZ ARG A 57 13.647 8.221 -1.057 1.00 0.00 C ATOM 884 NH1 ARG A 57 12.504 7.832 -1.609 1.00 0.00 N ATOM 885 NH2 ARG A 57 13.747 9.445 -0.556 1.00 0.00 N ATOM 0 H ARG A 57 11.208 2.654 -0.135 1.00 0.00 H new ATOM 0 HA ARG A 57 13.733 2.486 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.709 4.554 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.070 4.542 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.762 5.855 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.890 4.564 0.171 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.663 5.642 -1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 57 14.046 5.850 -2.286 1.00 0.00 H new ATOM 0 HE ARG A 57 15.619 7.825 -0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.436 6.913 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.694 8.452 -1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.638 9.771 -0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.933 10.060 -0.546 1.00 0.00 H new ATOM 899 N ARG A 58 13.556 2.317 1.730 1.00 0.00 N ATOM 900 CA ARG A 58 14.319 2.115 2.952 1.00 0.00 C ATOM 901 C ARG A 58 14.950 0.733 2.980 1.00 0.00 C ATOM 902 O ARG A 58 16.137 0.590 3.286 1.00 0.00 O ATOM 903 CB ARG A 58 13.430 2.311 4.186 1.00 0.00 C ATOM 904 CG ARG A 58 12.604 3.592 4.176 1.00 0.00 C ATOM 905 CD ARG A 58 13.360 4.761 3.564 1.00 0.00 C ATOM 906 NE ARG A 58 13.915 5.647 4.579 1.00 0.00 N ATOM 907 CZ ARG A 58 13.908 6.974 4.489 1.00 0.00 C ATOM 908 NH1 ARG A 58 13.317 7.577 3.459 1.00 0.00 N ATOM 909 NH2 ARG A 58 14.463 7.703 5.446 1.00 0.00 N ATOM 0 H ARG A 58 12.544 2.280 1.852 1.00 0.00 H new ATOM 0 HA ARG A 58 15.116 2.858 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.755 1.459 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.060 2.307 5.076 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.684 3.424 3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.315 3.843 5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.165 4.382 2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 58 12.690 5.327 2.917 1.00 0.00 H new ATOM 0 HE ARG A 58 14.334 5.225 5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.866 7.021 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.315 8.595 3.396 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.894 7.246 6.250 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.459 8.721 5.379 1.00 0.00 H new ATOM 923 N ASP A 59 14.174 -0.281 2.615 1.00 0.00 N ATOM 924 CA ASP A 59 14.687 -1.643 2.581 1.00 0.00 C ATOM 925 C ASP A 59 15.488 -1.886 1.303 1.00 0.00 C ATOM 926 O ASP A 59 16.263 -2.839 1.216 1.00 0.00 O ATOM 927 CB ASP A 59 13.558 -2.679 2.787 1.00 0.00 C ATOM 928 CG ASP A 59 12.699 -2.991 1.563 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.255 -3.184 0.463 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.460 -3.149 1.717 1.00 0.00 O ATOM 0 H ASP A 59 13.196 -0.187 2.341 1.00 0.00 H new ATOM 0 HA ASP A 59 15.374 -1.774 3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.006 -3.609 3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.904 -2.320 3.582 1.00 0.00 H new ATOM 935 N TYR A 60 15.425 -0.922 0.390 1.00 0.00 N ATOM 936 CA TYR A 60 16.272 -0.936 -0.795 1.00 0.00 C ATOM 937 C TYR A 60 17.659 -0.443 -0.416 1.00 0.00 C ATOM 938 O TYR A 60 18.671 -0.995 -0.853 1.00 0.00 O ATOM 939 CB TYR A 60 15.655 -0.061 -1.899 1.00 0.00 C ATOM 940 CG TYR A 60 16.637 0.759 -2.712 1.00 0.00 C ATOM 941 CD1 TYR A 60 17.219 0.242 -3.864 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.962 2.061 -2.338 1.00 0.00 C ATOM 943 CE1 TYR A 60 18.107 0.995 -4.611 1.00 0.00 C ATOM 944 CE2 TYR A 60 17.845 2.815 -3.080 1.00 0.00 C ATOM 945 CZ TYR A 60 18.414 2.283 -4.213 1.00 0.00 C ATOM 946 OH TYR A 60 19.291 3.041 -4.954 1.00 0.00 O ATOM 0 H TYR A 60 14.796 -0.121 0.449 1.00 0.00 H new ATOM 0 HA TYR A 60 16.351 -1.952 -1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.097 -0.705 -2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.936 0.617 -1.440 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.974 -0.761 -4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.515 2.486 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 60 18.558 0.579 -5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.089 3.821 -2.772 1.00 0.00 H new ATOM 0 HH TYR A 60 19.396 3.922 -4.537 1.00 0.00 H new ATOM 1420 N LEU A 96 3.743 5.131 -0.888 1.00 0.00 N ATOM 1421 CA LEU A 96 2.522 5.573 -0.252 1.00 0.00 C ATOM 1422 C LEU A 96 1.422 4.564 -0.559 1.00 0.00 C ATOM 1423 O LEU A 96 1.496 3.860 -1.563 1.00 0.00 O ATOM 1424 CB LEU A 96 2.127 6.959 -0.767 1.00 0.00 C ATOM 1425 CG LEU A 96 0.993 6.964 -1.790 1.00 0.00 C ATOM 1426 CD1 LEU A 96 -0.272 7.536 -1.172 1.00 0.00 C ATOM 1427 CD2 LEU A 96 1.387 7.745 -3.029 1.00 0.00 C ATOM 0 HA LEU A 96 2.671 5.642 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.834 7.576 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.003 7.428 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 96 0.796 5.935 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.072 7.534 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.567 6.927 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.086 8.558 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.563 7.734 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.615 8.775 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.266 7.288 -3.483 1.00 0.00 H new ATOM 1439 N ILE A 97 0.365 4.555 0.238 1.00 0.00 N ATOM 1440 CA ILE A 97 -0.788 3.724 -0.051 1.00 0.00 C ATOM 1441 C ILE A 97 -2.019 4.338 0.566 1.00 0.00 C ATOM 1442 O ILE A 97 -1.968 4.872 1.675 1.00 0.00 O ATOM 1443 CB ILE A 97 -0.663 2.271 0.459 1.00 0.00 C ATOM 1444 CG1 ILE A 97 0.620 2.057 1.265 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -0.725 1.307 -0.712 1.00 0.00 C ATOM 1446 CD1 ILE A 97 0.520 0.918 2.254 1.00 0.00 C ATOM 0 H ILE A 97 0.284 5.113 1.088 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.857 3.678 -1.138 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.500 2.078 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.444 1.862 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.862 2.975 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.636 0.284 -0.346 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.676 1.426 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.093 1.518 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.463 0.820 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.283 1.121 2.962 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.308 -0.009 1.721 1.00 0.00 H new ATOM 1458 N THR A 98 -3.121 4.253 -0.143 1.00 0.00 N ATOM 1459 CA THR A 98 -4.368 4.769 0.344 1.00 0.00 C ATOM 1460 C THR A 98 -5.252 3.607 0.795 1.00 0.00 C ATOM 1461 O THR A 98 -5.469 2.644 0.047 1.00 0.00 O ATOM 1462 CB THR A 98 -5.048 5.634 -0.746 1.00 0.00 C ATOM 1463 OG1 THR A 98 -5.027 7.015 -0.365 1.00 0.00 O ATOM 1464 CG2 THR A 98 -6.476 5.205 -1.007 1.00 0.00 C ATOM 0 H THR A 98 -3.173 3.826 -1.068 1.00 0.00 H new ATOM 0 HA THR A 98 -4.197 5.415 1.205 1.00 0.00 H new ATOM 0 HB THR A 98 -4.482 5.493 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.458 7.553 -1.062 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.912 5.840 -1.778 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.489 4.168 -1.341 1.00 0.00 H new ATOM 0 HG23 THR A 98 -7.057 5.298 -0.090 1.00 0.00 H new ATOM 1472 N ARG A 99 -5.655 3.640 2.056 1.00 0.00 N ATOM 1473 CA ARG A 99 -6.470 2.574 2.616 1.00 0.00 C ATOM 1474 C ARG A 99 -7.937 2.911 2.413 1.00 0.00 C ATOM 1475 O ARG A 99 -8.477 3.797 3.077 1.00 0.00 O ATOM 1476 CB ARG A 99 -6.175 2.361 4.106 1.00 0.00 C ATOM 1477 CG ARG A 99 -4.849 2.941 4.573 1.00 0.00 C ATOM 1478 CD ARG A 99 -3.948 1.883 5.200 1.00 0.00 C ATOM 1479 NE ARG A 99 -4.675 0.999 6.110 1.00 0.00 N ATOM 1480 CZ ARG A 99 -5.048 1.331 7.344 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -4.596 2.446 7.908 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -5.823 0.508 8.034 1.00 0.00 N ATOM 0 H ARG A 99 -5.432 4.391 2.709 1.00 0.00 H new ATOM 0 HA ARG A 99 -6.227 1.645 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.979 2.808 4.691 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.184 1.292 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.336 3.398 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.036 3.733 5.298 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.487 1.288 4.411 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.140 2.373 5.743 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.912 0.065 5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -3.958 3.055 7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -4.887 2.693 8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.129 -0.372 7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.114 0.754 8.980 1.00 0.00 H new ATOM 1496 N LEU A 100 -8.526 2.326 1.389 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.885 2.668 1.009 1.00 0.00 C ATOM 1498 C LEU A 100 -10.897 1.784 1.705 1.00 0.00 C ATOM 1499 O LEU A 100 -10.583 0.685 2.167 1.00 0.00 O ATOM 1500 CB LEU A 100 -10.070 2.545 -0.497 1.00 0.00 C ATOM 1501 CG LEU A 100 -11.072 3.516 -1.119 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -10.351 4.538 -1.982 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -12.106 2.761 -1.939 1.00 0.00 C ATOM 0 H LEU A 100 -8.088 1.613 0.806 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.052 3.700 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.103 2.692 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.388 1.527 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.588 4.043 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.078 5.223 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.646 5.099 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.811 4.026 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.812 3.468 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.607 2.209 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.642 2.063 -1.295 1.00 0.00 H new ATOM 1515 N GLU A 101 -12.130 2.237 1.667 1.00 0.00 N ATOM 1516 CA GLU A 101 -13.248 1.480 2.193 1.00 0.00 C ATOM 1517 C GLU A 101 -13.926 0.728 1.062 1.00 0.00 C ATOM 1518 O GLU A 101 -14.498 1.333 0.154 1.00 0.00 O ATOM 1519 CB GLU A 101 -14.248 2.409 2.885 1.00 0.00 C ATOM 1520 CG GLU A 101 -13.791 3.855 2.942 1.00 0.00 C ATOM 1521 CD GLU A 101 -14.265 4.661 1.756 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -13.550 4.696 0.734 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -15.350 5.271 1.839 1.00 0.00 O ATOM 0 H GLU A 101 -12.388 3.141 1.271 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.879 0.767 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -15.202 2.358 2.361 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.422 2.051 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.161 4.313 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.702 3.887 2.986 1.00 0.00 H new ATOM 1530 N ASN A 102 -13.768 -0.584 1.069 1.00 0.00 N ATOM 1531 CA ASN A 102 -14.293 -1.421 0.000 1.00 0.00 C ATOM 1532 C ASN A 102 -15.816 -1.413 0.012 1.00 0.00 C ATOM 1533 O ASN A 102 -16.458 -1.252 -1.026 1.00 0.00 O ATOM 1534 CB ASN A 102 -13.775 -2.847 0.148 1.00 0.00 C ATOM 1535 CG ASN A 102 -13.983 -3.667 -1.105 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -13.894 -3.150 -2.218 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.271 -4.947 -0.929 1.00 0.00 N ATOM 0 H ASN A 102 -13.280 -1.095 1.804 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.953 -1.017 -0.954 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.713 -2.822 0.391 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.281 -3.330 0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.430 -5.550 -1.736 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.334 -5.331 0.014 1.00 0.00 H new ATOM 1544 N THR A 103 -16.380 -1.469 1.204 1.00 0.00 N ATOM 1545 CA THR A 103 -17.812 -1.368 1.372 1.00 0.00 C ATOM 1546 C THR A 103 -18.164 0.050 1.854 1.00 0.00 C ATOM 1547 O THR A 103 -17.757 1.033 1.235 1.00 0.00 O ATOM 1548 CB THR A 103 -18.326 -2.474 2.343 1.00 0.00 C ATOM 1549 OG1 THR A 103 -19.712 -2.291 2.670 1.00 0.00 O ATOM 1550 CG2 THR A 103 -17.498 -2.519 3.621 1.00 0.00 C ATOM 0 H THR A 103 -15.861 -1.585 2.074 1.00 0.00 H new ATOM 0 HA THR A 103 -18.314 -1.533 0.419 1.00 0.00 H new ATOM 0 HB THR A 103 -18.218 -3.424 1.821 1.00 0.00 H new ATOM 0 HG1 THR A 103 -20.001 -3.003 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.882 -3.301 4.276 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.458 -2.732 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.560 -1.557 4.129 1.00 0.00 H new