USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=18 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 102 ASN : amide:sc= 1.48 K(o=2.1,f=-0.85!) USER MOD Set 1.2: A 103 THR OG1 : rot 65:sc= 0.654 USER MOD Set 2.1: A 33 CYS SG : rot -124:sc= 0.225 USER MOD Set 2.2: A 36 CYS SG : rot 76:sc= -1.61 USER MOD Set 2.3: A 56 CYS SG : rot -129:sc= -2.66! USER MOD Set 3.1: A 6 CYS SG : rot -115:sc= 2.08 USER MOD Set 3.2: A 9 CYS SG : rot -160:sc= -1.14! USER MOD Set 3.3: A 27 HIS : no HE2:sc= -1.66 K(o=-0.94,f=-2) USER MOD Set 3.4: A 30 CYS SG : rot -159:sc= -0.223 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.71) USER MOD Single : A 11 GLN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.185 K(o=-0.18,f=-3.6!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.83) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 62:sc= 0.418 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00894) USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.13) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -15.689 -7.641 -8.754 1.00 0.00 N ATOM 22 CA LEU A 3 -14.871 -7.050 -7.709 1.00 0.00 C ATOM 23 C LEU A 3 -13.399 -7.091 -8.104 1.00 0.00 C ATOM 24 O LEU A 3 -13.035 -7.645 -9.146 1.00 0.00 O ATOM 25 CB LEU A 3 -15.074 -7.774 -6.380 1.00 0.00 C ATOM 26 CG LEU A 3 -16.504 -7.747 -5.835 1.00 0.00 C ATOM 27 CD1 LEU A 3 -16.732 -8.911 -4.888 1.00 0.00 C ATOM 28 CD2 LEU A 3 -16.785 -6.425 -5.135 1.00 0.00 C ATOM 0 HA LEU A 3 -15.179 -6.012 -7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.768 -8.813 -6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.411 -7.330 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.194 -7.844 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -17.754 -8.877 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -16.573 -9.849 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -16.033 -8.844 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.806 -6.425 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -16.089 -6.297 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.661 -5.605 -5.843 1.00 0.00 H new ATOM 40 N LEU A 4 -12.567 -6.475 -7.288 1.00 0.00 N ATOM 41 CA LEU A 4 -11.144 -6.387 -7.568 1.00 0.00 C ATOM 42 C LEU A 4 -10.425 -7.664 -7.159 1.00 0.00 C ATOM 43 O LEU A 4 -10.961 -8.480 -6.416 1.00 0.00 O ATOM 44 CB LEU A 4 -10.540 -5.200 -6.822 1.00 0.00 C ATOM 45 CG LEU A 4 -11.413 -3.951 -6.770 1.00 0.00 C ATOM 46 CD1 LEU A 4 -11.699 -3.563 -5.328 1.00 0.00 C ATOM 47 CD2 LEU A 4 -10.734 -2.814 -7.512 1.00 0.00 C ATOM 0 H LEU A 4 -12.853 -6.024 -6.419 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.018 -6.249 -8.642 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.316 -5.509 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.591 -4.941 -7.292 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.365 -4.163 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.323 -2.670 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.219 -4.380 -4.828 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.760 -3.361 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.364 -1.925 -7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.772 -2.599 -7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.578 -3.100 -8.552 1.00 0.00 H new ATOM 59 N THR A 5 -9.181 -7.786 -7.580 1.00 0.00 N ATOM 60 CA THR A 5 -8.350 -8.905 -7.186 1.00 0.00 C ATOM 61 C THR A 5 -6.970 -8.415 -6.782 1.00 0.00 C ATOM 62 O THR A 5 -6.388 -7.567 -7.454 1.00 0.00 O ATOM 63 CB THR A 5 -8.216 -9.938 -8.313 1.00 0.00 C ATOM 64 OG1 THR A 5 -8.626 -9.363 -9.559 1.00 0.00 O ATOM 65 CG2 THR A 5 -9.060 -11.162 -8.015 1.00 0.00 C ATOM 0 H THR A 5 -8.722 -7.118 -8.199 1.00 0.00 H new ATOM 0 HA THR A 5 -8.834 -9.389 -6.337 1.00 0.00 H new ATOM 0 HB THR A 5 -7.170 -10.239 -8.381 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.535 -10.029 -10.272 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.953 -11.884 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.729 -11.614 -7.080 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.106 -10.870 -7.926 1.00 0.00 H new ATOM 73 N CYS A 6 -6.511 -8.871 -5.629 1.00 0.00 N ATOM 74 CA CYS A 6 -5.256 -8.416 -5.070 1.00 0.00 C ATOM 75 C CYS A 6 -4.099 -9.243 -5.613 1.00 0.00 C ATOM 76 O CYS A 6 -4.244 -10.438 -5.855 1.00 0.00 O ATOM 77 CB CYS A 6 -5.339 -8.484 -3.539 1.00 0.00 C ATOM 78 SG CYS A 6 -4.062 -9.489 -2.715 1.00 0.00 S ATOM 0 H CYS A 6 -6.997 -9.563 -5.059 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.071 -7.382 -5.362 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.284 -7.469 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.317 -8.879 -3.265 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.620 -10.511 -2.137 1.00 0.00 H new ATOM 83 N GLY A 7 -2.981 -8.586 -5.876 1.00 0.00 N ATOM 84 CA GLY A 7 -1.836 -9.270 -6.441 1.00 0.00 C ATOM 85 C GLY A 7 -1.054 -10.047 -5.401 1.00 0.00 C ATOM 86 O GLY A 7 -0.070 -10.718 -5.725 1.00 0.00 O ATOM 0 H GLY A 7 -2.845 -7.589 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.173 -9.952 -7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.179 -8.541 -6.916 1.00 0.00 H new ATOM 90 N GLY A 8 -1.488 -9.957 -4.153 1.00 0.00 N ATOM 91 CA GLY A 8 -0.813 -10.649 -3.078 1.00 0.00 C ATOM 92 C GLY A 8 -1.350 -12.048 -2.861 1.00 0.00 C ATOM 93 O GLY A 8 -0.578 -12.999 -2.726 1.00 0.00 O ATOM 0 H GLY A 8 -2.301 -9.413 -3.865 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.253 -10.703 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.920 -10.075 -2.157 1.00 0.00 H new ATOM 97 N CYS A 9 -2.669 -12.178 -2.799 1.00 0.00 N ATOM 98 CA CYS A 9 -3.286 -13.475 -2.559 1.00 0.00 C ATOM 99 C CYS A 9 -4.234 -13.862 -3.691 1.00 0.00 C ATOM 100 O CYS A 9 -4.462 -15.049 -3.940 1.00 0.00 O ATOM 101 CB CYS A 9 -4.030 -13.469 -1.221 1.00 0.00 C ATOM 102 SG CYS A 9 -5.578 -12.507 -1.211 1.00 0.00 S ATOM 0 H CYS A 9 -3.328 -11.407 -2.911 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.492 -14.220 -2.521 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.257 -14.498 -0.943 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.366 -13.070 -0.454 1.00 0.00 H new ATOM 0 HG CYS A 9 -5.899 -12.214 0.014 1.00 0.00 H new ATOM 107 N GLN A 10 -4.767 -12.852 -4.381 1.00 0.00 N ATOM 108 CA GLN A 10 -5.668 -13.055 -5.516 1.00 0.00 C ATOM 109 C GLN A 10 -6.964 -13.759 -5.105 1.00 0.00 C ATOM 110 O GLN A 10 -7.646 -14.345 -5.944 1.00 0.00 O ATOM 111 CB GLN A 10 -4.965 -13.851 -6.619 1.00 0.00 C ATOM 112 CG GLN A 10 -4.241 -12.983 -7.636 1.00 0.00 C ATOM 113 CD GLN A 10 -5.188 -12.271 -8.579 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.100 -12.877 -9.137 1.00 0.00 O ATOM 115 NE2 GLN A 10 -4.982 -10.976 -8.760 1.00 0.00 N ATOM 0 H GLN A 10 -4.586 -11.871 -4.169 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.936 -12.069 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.248 -14.533 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.702 -14.464 -7.138 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.635 -12.245 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.557 -13.603 -8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.214 -10.510 -8.278 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.592 -10.445 -9.381 1.00 0.00 H new ATOM 124 N GLN A 11 -7.324 -13.666 -3.826 1.00 0.00 N ATOM 125 CA GLN A 11 -8.544 -14.305 -3.326 1.00 0.00 C ATOM 126 C GLN A 11 -9.782 -13.458 -3.631 1.00 0.00 C ATOM 127 O GLN A 11 -10.874 -13.751 -3.138 1.00 0.00 O ATOM 128 CB GLN A 11 -8.439 -14.558 -1.815 1.00 0.00 C ATOM 129 CG GLN A 11 -8.741 -13.335 -0.959 1.00 0.00 C ATOM 130 CD GLN A 11 -9.905 -13.554 -0.013 1.00 0.00 C ATOM 131 OE1 GLN A 11 -9.833 -14.375 0.902 1.00 0.00 O ATOM 132 NE2 GLN A 11 -10.987 -12.821 -0.227 1.00 0.00 N ATOM 0 H GLN A 11 -6.793 -13.158 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.651 -15.260 -3.840 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.127 -15.358 -1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.433 -14.910 -1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.854 -13.073 -0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.961 -12.488 -1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -11.006 -12.152 -0.997 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -11.802 -12.926 0.378 1.00 0.00 H new ATOM 141 N ASN A 12 -9.585 -12.394 -4.416 1.00 0.00 N ATOM 142 CA ASN A 12 -10.650 -11.446 -4.772 1.00 0.00 C ATOM 143 C ASN A 12 -10.965 -10.529 -3.591 1.00 0.00 C ATOM 144 O ASN A 12 -11.084 -10.980 -2.451 1.00 0.00 O ATOM 145 CB ASN A 12 -11.918 -12.174 -5.248 1.00 0.00 C ATOM 146 CG ASN A 12 -12.930 -11.239 -5.884 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.651 -10.524 -5.191 1.00 0.00 O ATOM 148 ND2 ASN A 12 -12.999 -11.250 -7.207 1.00 0.00 N ATOM 0 H ASN A 12 -8.679 -12.164 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.290 -10.837 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.640 -12.945 -5.967 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.380 -12.680 -4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.669 -10.650 -7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.382 -11.859 -7.745 1.00 0.00 H new ATOM 155 N ILE A 13 -11.003 -9.231 -3.855 1.00 0.00 N ATOM 156 CA ILE A 13 -11.233 -8.243 -2.815 1.00 0.00 C ATOM 157 C ILE A 13 -12.713 -7.907 -2.703 1.00 0.00 C ATOM 158 O ILE A 13 -13.265 -7.182 -3.534 1.00 0.00 O ATOM 159 CB ILE A 13 -10.438 -6.953 -3.080 1.00 0.00 C ATOM 160 CG1 ILE A 13 -9.007 -7.292 -3.495 1.00 0.00 C ATOM 161 CG2 ILE A 13 -10.435 -6.059 -1.848 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.383 -6.271 -4.417 1.00 0.00 C ATOM 0 H ILE A 13 -10.876 -8.837 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.890 -8.680 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.921 -6.411 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.391 -7.385 -2.600 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.002 -8.264 -3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.867 -5.152 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.460 -5.793 -1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.976 -6.590 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.368 -6.580 -4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.975 -6.194 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.355 -5.301 -3.920 1.00 0.00 H new ATOM 174 N GLY A 14 -13.341 -8.423 -1.659 1.00 0.00 N ATOM 175 CA GLY A 14 -14.743 -8.156 -1.432 1.00 0.00 C ATOM 176 C GLY A 14 -14.956 -7.178 -0.295 1.00 0.00 C ATOM 177 O GLY A 14 -16.091 -6.824 0.021 1.00 0.00 O ATOM 0 H GLY A 14 -12.902 -9.025 -0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.188 -7.756 -2.343 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.259 -9.090 -1.209 1.00 0.00 H new ATOM 181 N ASP A 15 -13.862 -6.736 0.319 1.00 0.00 N ATOM 182 CA ASP A 15 -13.941 -5.786 1.426 1.00 0.00 C ATOM 183 C ASP A 15 -14.371 -4.421 0.920 1.00 0.00 C ATOM 184 O ASP A 15 -14.294 -4.138 -0.275 1.00 0.00 O ATOM 185 CB ASP A 15 -12.599 -5.646 2.152 1.00 0.00 C ATOM 186 CG ASP A 15 -11.980 -6.978 2.525 1.00 0.00 C ATOM 187 OD1 ASP A 15 -12.502 -7.649 3.442 1.00 0.00 O ATOM 188 OD2 ASP A 15 -10.958 -7.356 1.913 1.00 0.00 O ATOM 0 H ASP A 15 -12.914 -7.019 0.071 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.678 -6.174 2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.905 -5.096 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.742 -5.054 3.056 1.00 0.00 H new ATOM 193 N ARG A 16 -14.800 -3.571 1.834 1.00 0.00 N ATOM 194 CA ARG A 16 -15.259 -2.236 1.477 1.00 0.00 C ATOM 195 C ARG A 16 -14.086 -1.293 1.240 1.00 0.00 C ATOM 196 O ARG A 16 -14.183 -0.360 0.440 1.00 0.00 O ATOM 197 CB ARG A 16 -16.180 -1.669 2.561 1.00 0.00 C ATOM 198 CG ARG A 16 -15.533 -1.550 3.930 1.00 0.00 C ATOM 199 CD ARG A 16 -16.460 -0.860 4.915 1.00 0.00 C ATOM 200 NE ARG A 16 -16.197 -1.258 6.298 1.00 0.00 N ATOM 201 CZ ARG A 16 -16.818 -0.736 7.357 1.00 0.00 C ATOM 202 NH1 ARG A 16 -17.711 0.236 7.200 1.00 0.00 N ATOM 203 NH2 ARG A 16 -16.533 -1.177 8.579 1.00 0.00 N ATOM 0 H ARG A 16 -14.841 -3.779 2.832 1.00 0.00 H new ATOM 0 HA ARG A 16 -15.823 -2.320 0.548 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -16.526 -0.684 2.249 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -17.061 -2.305 2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -15.276 -2.542 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -14.602 -0.989 3.848 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -16.346 0.220 4.822 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -17.494 -1.094 4.662 1.00 0.00 H new ATOM 0 HE ARG A 16 -15.495 -1.980 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -17.924 0.586 6.266 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.183 0.631 8.013 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.840 -1.914 8.706 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.008 -0.778 9.389 1.00 0.00 H new ATOM 217 N TYR A 17 -12.981 -1.544 1.927 1.00 0.00 N ATOM 218 CA TYR A 17 -11.801 -0.705 1.797 1.00 0.00 C ATOM 219 C TYR A 17 -10.591 -1.572 1.478 1.00 0.00 C ATOM 220 O TYR A 17 -10.534 -2.734 1.886 1.00 0.00 O ATOM 221 CB TYR A 17 -11.571 0.082 3.088 1.00 0.00 C ATOM 222 CG TYR A 17 -11.191 1.525 2.858 1.00 0.00 C ATOM 223 CD1 TYR A 17 -12.124 2.430 2.370 1.00 0.00 C ATOM 224 CD2 TYR A 17 -9.907 1.983 3.120 1.00 0.00 C ATOM 225 CE1 TYR A 17 -11.791 3.752 2.154 1.00 0.00 C ATOM 226 CE2 TYR A 17 -9.566 3.306 2.907 1.00 0.00 C ATOM 227 CZ TYR A 17 -10.510 4.186 2.421 1.00 0.00 C ATOM 228 OH TYR A 17 -10.175 5.503 2.205 1.00 0.00 O ATOM 0 H TYR A 17 -12.878 -2.321 2.579 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.951 0.005 0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.478 0.046 3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.784 -0.404 3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.128 2.094 2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.163 1.296 3.496 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.531 4.443 1.778 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -8.564 3.649 3.120 1.00 0.00 H new ATOM 0 HH TYR A 17 -9.235 5.645 2.444 1.00 0.00 H new ATOM 238 N PHE A 18 -9.671 -1.042 0.686 1.00 0.00 N ATOM 239 CA PHE A 18 -8.513 -1.812 0.257 1.00 0.00 C ATOM 240 C PHE A 18 -7.363 -0.899 -0.163 1.00 0.00 C ATOM 241 O PHE A 18 -7.424 0.318 0.015 1.00 0.00 O ATOM 242 CB PHE A 18 -8.901 -2.760 -0.888 1.00 0.00 C ATOM 243 CG PHE A 18 -9.050 -2.102 -2.238 1.00 0.00 C ATOM 244 CD1 PHE A 18 -9.910 -1.027 -2.423 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.330 -2.569 -3.325 1.00 0.00 C ATOM 246 CE1 PHE A 18 -10.043 -0.435 -3.663 1.00 0.00 C ATOM 247 CE2 PHE A 18 -8.462 -1.979 -4.565 1.00 0.00 C ATOM 248 CZ PHE A 18 -9.318 -0.911 -4.735 1.00 0.00 C ATOM 0 H PHE A 18 -9.703 -0.087 0.329 1.00 0.00 H new ATOM 0 HA PHE A 18 -8.169 -2.407 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -8.146 -3.543 -0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.842 -3.248 -0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.481 -0.650 -1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.657 -3.405 -3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -10.715 0.401 -3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.894 -2.354 -5.404 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.420 -0.449 -5.706 1.00 0.00 H new ATOM 258 N LEU A 19 -6.323 -1.496 -0.724 1.00 0.00 N ATOM 259 CA LEU A 19 -5.160 -0.759 -1.182 1.00 0.00 C ATOM 260 C LEU A 19 -4.909 -1.055 -2.651 1.00 0.00 C ATOM 261 O LEU A 19 -4.930 -2.205 -3.052 1.00 0.00 O ATOM 262 CB LEU A 19 -3.936 -1.179 -0.373 1.00 0.00 C ATOM 263 CG LEU A 19 -3.707 -0.406 0.920 1.00 0.00 C ATOM 264 CD1 LEU A 19 -3.035 -1.299 1.948 1.00 0.00 C ATOM 265 CD2 LEU A 19 -2.868 0.832 0.656 1.00 0.00 C ATOM 0 H LEU A 19 -6.263 -2.503 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.341 0.308 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.028 -2.238 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.052 -1.071 -1.002 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.671 -0.086 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.875 -0.738 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.671 -2.160 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.075 -1.641 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.714 1.373 1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.903 0.537 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.384 1.476 -0.056 1.00 0.00 H new ATOM 277 N LYS A 20 -4.637 -0.036 -3.444 1.00 0.00 N ATOM 278 CA LYS A 20 -4.287 -0.246 -4.845 1.00 0.00 C ATOM 279 C LYS A 20 -3.618 1.005 -5.401 1.00 0.00 C ATOM 280 O LYS A 20 -4.017 2.111 -5.038 1.00 0.00 O ATOM 281 CB LYS A 20 -5.535 -0.635 -5.663 1.00 0.00 C ATOM 282 CG LYS A 20 -5.771 0.175 -6.931 1.00 0.00 C ATOM 283 CD LYS A 20 -7.086 0.936 -6.868 1.00 0.00 C ATOM 284 CE LYS A 20 -7.269 1.838 -8.078 1.00 0.00 C ATOM 285 NZ LYS A 20 -8.524 1.538 -8.820 1.00 0.00 N ATOM 0 H LYS A 20 -4.650 0.940 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.580 -1.072 -4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.455 -1.687 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.412 -0.537 -5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.949 0.877 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.775 -0.491 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.914 0.229 -6.812 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.117 1.536 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.281 2.879 -7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.417 1.722 -8.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.606 2.177 -9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.504 0.553 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.341 1.674 -8.190 1.00 0.00 H new ATOM 299 N ALA A 21 -2.633 0.826 -6.294 1.00 0.00 N ATOM 300 CA ALA A 21 -1.940 1.957 -6.938 1.00 0.00 C ATOM 301 C ALA A 21 -0.712 1.474 -7.698 1.00 0.00 C ATOM 302 O ALA A 21 -0.335 2.046 -8.720 1.00 0.00 O ATOM 303 CB ALA A 21 -1.509 3.012 -5.926 1.00 0.00 C ATOM 0 H ALA A 21 -2.297 -0.091 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.652 2.408 -7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.003 3.827 -6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.387 3.400 -5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.829 2.564 -5.201 1.00 0.00 H new ATOM 309 N ILE A 22 -0.044 0.483 -7.118 1.00 0.00 N ATOM 310 CA ILE A 22 1.198 -0.058 -7.654 1.00 0.00 C ATOM 311 C ILE A 22 1.102 -0.345 -9.155 1.00 0.00 C ATOM 312 O ILE A 22 1.919 0.134 -9.940 1.00 0.00 O ATOM 313 CB ILE A 22 1.574 -1.349 -6.887 1.00 0.00 C ATOM 314 CG1 ILE A 22 2.211 -0.977 -5.540 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.497 -2.244 -7.709 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.872 -2.134 -4.821 1.00 0.00 C ATOM 0 H ILE A 22 -0.352 0.030 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 22 1.976 0.694 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 22 0.665 -1.922 -6.703 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.953 -0.196 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.443 -0.554 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.739 -3.140 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.998 -2.528 -8.635 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.415 -1.704 -7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.296 -1.783 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.131 -2.908 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.666 -2.545 -5.445 1.00 0.00 H new ATOM 328 N ASP A 23 0.064 -1.071 -9.539 1.00 0.00 N ATOM 329 CA ASP A 23 -0.174 -1.446 -10.935 1.00 0.00 C ATOM 330 C ASP A 23 -1.365 -2.378 -10.982 1.00 0.00 C ATOM 331 O ASP A 23 -2.038 -2.523 -12.001 1.00 0.00 O ATOM 332 CB ASP A 23 1.054 -2.150 -11.532 1.00 0.00 C ATOM 333 CG ASP A 23 0.887 -2.489 -13.000 1.00 0.00 C ATOM 334 OD1 ASP A 23 1.073 -1.590 -13.847 1.00 0.00 O ATOM 335 OD2 ASP A 23 0.579 -3.659 -13.316 1.00 0.00 O ATOM 0 H ASP A 23 -0.643 -1.421 -8.893 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.366 -0.547 -11.521 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.928 -1.510 -11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.248 -3.065 -10.973 1.00 0.00 H new ATOM 340 N GLN A 24 -1.668 -2.929 -9.821 1.00 0.00 N ATOM 341 CA GLN A 24 -2.809 -3.797 -9.650 1.00 0.00 C ATOM 342 C GLN A 24 -3.475 -3.465 -8.329 1.00 0.00 C ATOM 343 O GLN A 24 -2.978 -2.620 -7.576 1.00 0.00 O ATOM 344 CB GLN A 24 -2.377 -5.269 -9.679 1.00 0.00 C ATOM 345 CG GLN A 24 -1.419 -5.647 -8.560 1.00 0.00 C ATOM 346 CD GLN A 24 -0.042 -6.039 -9.065 1.00 0.00 C ATOM 347 OE1 GLN A 24 0.509 -7.062 -8.662 1.00 0.00 O ATOM 348 NE2 GLN A 24 0.521 -5.228 -9.949 1.00 0.00 N ATOM 0 H GLN A 24 -1.125 -2.784 -8.970 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.513 -3.642 -10.467 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.263 -5.900 -9.615 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.904 -5.481 -10.638 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.322 -4.807 -7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.841 -6.476 -7.992 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.029 -4.389 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.446 -5.443 -10.321 1.00 0.00 H new ATOM 357 N TYR A 25 -4.544 -4.163 -8.015 1.00 0.00 N ATOM 358 CA TYR A 25 -5.219 -3.963 -6.750 1.00 0.00 C ATOM 359 C TYR A 25 -4.609 -4.861 -5.690 1.00 0.00 C ATOM 360 O TYR A 25 -3.946 -5.851 -6.006 1.00 0.00 O ATOM 361 CB TYR A 25 -6.716 -4.238 -6.879 1.00 0.00 C ATOM 362 CG TYR A 25 -7.294 -3.831 -8.212 1.00 0.00 C ATOM 363 CD1 TYR A 25 -7.195 -2.522 -8.669 1.00 0.00 C ATOM 364 CD2 TYR A 25 -7.937 -4.763 -9.017 1.00 0.00 C ATOM 365 CE1 TYR A 25 -7.723 -2.155 -9.890 1.00 0.00 C ATOM 366 CE2 TYR A 25 -8.466 -4.402 -10.240 1.00 0.00 C ATOM 367 CZ TYR A 25 -8.356 -3.099 -10.671 1.00 0.00 C ATOM 368 OH TYR A 25 -8.876 -2.738 -11.892 1.00 0.00 O ATOM 0 H TYR A 25 -4.964 -4.872 -8.616 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.091 -2.922 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.896 -5.302 -6.724 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.244 -3.707 -6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.698 -1.782 -8.060 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.024 -5.786 -8.681 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.641 -1.134 -10.232 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.963 -5.137 -10.855 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.287 -3.520 -12.316 1.00 0.00 H new ATOM 378 N TRP A 26 -4.762 -4.463 -4.443 1.00 0.00 N ATOM 379 CA TRP A 26 -4.195 -5.194 -3.332 1.00 0.00 C ATOM 380 C TRP A 26 -5.223 -5.347 -2.230 1.00 0.00 C ATOM 381 O TRP A 26 -6.403 -5.047 -2.410 1.00 0.00 O ATOM 382 CB TRP A 26 -2.960 -4.472 -2.777 1.00 0.00 C ATOM 383 CG TRP A 26 -1.890 -4.246 -3.792 1.00 0.00 C ATOM 384 CD1 TRP A 26 -1.687 -3.122 -4.537 1.00 0.00 C ATOM 385 CD2 TRP A 26 -0.875 -5.174 -4.172 1.00 0.00 C ATOM 386 NE1 TRP A 26 -0.604 -3.292 -5.358 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.088 -4.549 -5.154 1.00 0.00 C ATOM 388 CE3 TRP A 26 -0.558 -6.477 -3.773 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.999 -5.185 -5.748 1.00 0.00 C ATOM 390 CZ3 TRP A 26 0.520 -7.106 -4.364 1.00 0.00 C ATOM 391 CH2 TRP A 26 1.288 -6.461 -5.341 1.00 0.00 C ATOM 0 H TRP A 26 -5.281 -3.627 -4.174 1.00 0.00 H new ATOM 0 HA TRP A 26 -3.896 -6.178 -3.693 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.267 -3.510 -2.365 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.549 -5.055 -1.953 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.292 -2.229 -4.487 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.240 -2.600 -6.013 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.144 -6.980 -3.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.593 -4.690 -6.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.775 -8.113 -4.068 1.00 0.00 H new ATOM 0 HH2 TRP A 26 2.126 -6.980 -5.783 1.00 0.00 H new ATOM 402 N HIS A 27 -4.747 -5.717 -1.067 1.00 0.00 N ATOM 403 CA HIS A 27 -5.592 -5.862 0.099 1.00 0.00 C ATOM 404 C HIS A 27 -5.081 -4.972 1.213 1.00 0.00 C ATOM 405 O HIS A 27 -3.910 -4.587 1.214 1.00 0.00 O ATOM 406 CB HIS A 27 -5.603 -7.316 0.564 1.00 0.00 C ATOM 407 CG HIS A 27 -6.809 -8.091 0.132 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.703 -9.334 -0.435 1.00 0.00 N ATOM 409 CD2 HIS A 27 -8.122 -7.765 0.227 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.934 -9.741 -0.672 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.836 -8.822 -0.288 1.00 0.00 N ATOM 0 H HIS A 27 -3.763 -5.927 -0.899 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.609 -5.568 -0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.711 -7.814 0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.542 -7.338 1.652 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.842 -9.843 -0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.529 -6.850 0.630 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.186 -10.692 -1.118 1.00 0.00 H new ATOM 419 N GLU A 28 -5.944 -4.686 2.173 1.00 0.00 N ATOM 420 CA GLU A 28 -5.580 -3.866 3.315 1.00 0.00 C ATOM 421 C GLU A 28 -4.550 -4.578 4.190 1.00 0.00 C ATOM 422 O GLU A 28 -3.772 -3.937 4.891 1.00 0.00 O ATOM 423 CB GLU A 28 -6.826 -3.555 4.142 1.00 0.00 C ATOM 424 CG GLU A 28 -7.341 -2.132 3.990 1.00 0.00 C ATOM 425 CD GLU A 28 -8.424 -1.804 4.997 1.00 0.00 C ATOM 426 OE1 GLU A 28 -9.052 -2.744 5.529 1.00 0.00 O ATOM 427 OE2 GLU A 28 -8.643 -0.608 5.278 1.00 0.00 O ATOM 0 H GLU A 28 -6.910 -5.013 2.183 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.140 -2.939 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.618 -4.248 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.605 -3.738 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.513 -1.433 4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.731 -1.995 2.982 1.00 0.00 H new ATOM 434 N ASP A 29 -4.637 -5.903 4.230 1.00 0.00 N ATOM 435 CA ASP A 29 -3.802 -6.703 5.121 1.00 0.00 C ATOM 436 C ASP A 29 -2.845 -7.608 4.344 1.00 0.00 C ATOM 437 O ASP A 29 -2.102 -8.397 4.928 1.00 0.00 O ATOM 438 CB ASP A 29 -4.704 -7.542 6.036 1.00 0.00 C ATOM 439 CG ASP A 29 -3.959 -8.197 7.181 1.00 0.00 C ATOM 440 OD1 ASP A 29 -3.192 -7.503 7.883 1.00 0.00 O ATOM 441 OD2 ASP A 29 -4.155 -9.412 7.402 1.00 0.00 O ATOM 0 H ASP A 29 -5.279 -6.448 3.654 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.191 -6.027 5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.490 -6.905 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.193 -8.314 5.442 1.00 0.00 H new ATOM 446 N CYS A 30 -2.832 -7.462 3.027 1.00 0.00 N ATOM 447 CA CYS A 30 -1.950 -8.264 2.189 1.00 0.00 C ATOM 448 C CYS A 30 -0.650 -7.525 1.901 1.00 0.00 C ATOM 449 O CYS A 30 0.439 -8.083 2.051 1.00 0.00 O ATOM 450 CB CYS A 30 -2.651 -8.645 0.881 1.00 0.00 C ATOM 451 SG CYS A 30 -3.577 -10.213 0.980 1.00 0.00 S ATOM 0 H CYS A 30 -3.418 -6.800 2.517 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.707 -9.177 2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.336 -7.845 0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.907 -8.721 0.088 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.759 -10.686 -0.217 1.00 0.00 H new ATOM 456 N LEU A 31 -0.771 -6.272 1.490 1.00 0.00 N ATOM 457 CA LEU A 31 0.391 -5.455 1.170 1.00 0.00 C ATOM 458 C LEU A 31 1.274 -5.252 2.396 1.00 0.00 C ATOM 459 O LEU A 31 0.877 -4.617 3.370 1.00 0.00 O ATOM 460 CB LEU A 31 -0.041 -4.102 0.607 1.00 0.00 C ATOM 461 CG LEU A 31 0.321 -3.868 -0.862 1.00 0.00 C ATOM 462 CD1 LEU A 31 0.030 -2.432 -1.251 1.00 0.00 C ATOM 463 CD2 LEU A 31 1.784 -4.202 -1.122 1.00 0.00 C ATOM 0 H LEU A 31 -1.665 -5.797 1.370 1.00 0.00 H new ATOM 0 HA LEU A 31 0.970 -5.984 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.121 -4.007 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.413 -3.314 1.208 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.291 -4.530 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.292 -2.278 -2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.030 -2.224 -1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.619 -1.760 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.016 -4.027 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.418 -3.569 -0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.967 -5.249 -0.879 1.00 0.00 H new ATOM 475 N SER A 32 2.467 -5.815 2.347 1.00 0.00 N ATOM 476 CA SER A 32 3.411 -5.702 3.442 1.00 0.00 C ATOM 477 C SER A 32 4.803 -5.402 2.903 1.00 0.00 C ATOM 478 O SER A 32 5.015 -5.440 1.691 1.00 0.00 O ATOM 479 CB SER A 32 3.425 -7.003 4.249 1.00 0.00 C ATOM 480 OG SER A 32 2.126 -7.573 4.317 1.00 0.00 O ATOM 0 H SER A 32 2.807 -6.359 1.554 1.00 0.00 H new ATOM 0 HA SER A 32 3.106 -4.884 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.114 -7.712 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.793 -6.807 5.256 1.00 0.00 H new ATOM 0 HG SER A 32 1.817 -7.792 3.413 1.00 0.00 H new ATOM 486 N CYS A 33 5.750 -5.163 3.806 1.00 0.00 N ATOM 487 CA CYS A 33 7.139 -4.974 3.427 1.00 0.00 C ATOM 488 C CYS A 33 7.627 -6.208 2.673 1.00 0.00 C ATOM 489 O CYS A 33 7.716 -7.288 3.250 1.00 0.00 O ATOM 490 CB CYS A 33 7.984 -4.766 4.686 1.00 0.00 C ATOM 491 SG CYS A 33 8.552 -3.057 4.972 1.00 0.00 S ATOM 0 H CYS A 33 5.575 -5.096 4.809 1.00 0.00 H new ATOM 0 HA CYS A 33 7.231 -4.099 2.784 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.403 -5.087 5.550 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.857 -5.416 4.629 1.00 0.00 H new ATOM 0 HG CYS A 33 9.847 -3.044 5.090 1.00 0.00 H new ATOM 496 N ASP A 34 7.804 -6.081 1.368 1.00 0.00 N ATOM 497 CA ASP A 34 8.168 -7.230 0.546 1.00 0.00 C ATOM 498 C ASP A 34 9.535 -7.751 0.940 1.00 0.00 C ATOM 499 O ASP A 34 9.744 -8.957 1.072 1.00 0.00 O ATOM 500 CB ASP A 34 8.171 -6.858 -0.934 1.00 0.00 C ATOM 501 CG ASP A 34 7.891 -8.050 -1.827 1.00 0.00 C ATOM 502 OD1 ASP A 34 6.936 -8.802 -1.541 1.00 0.00 O ATOM 503 OD2 ASP A 34 8.616 -8.234 -2.824 1.00 0.00 O ATOM 0 H ASP A 34 7.703 -5.204 0.856 1.00 0.00 H new ATOM 0 HA ASP A 34 7.425 -8.010 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.421 -6.088 -1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.138 -6.429 -1.197 1.00 0.00 H new ATOM 508 N LEU A 35 10.454 -6.827 1.147 1.00 0.00 N ATOM 509 CA LEU A 35 11.811 -7.169 1.534 1.00 0.00 C ATOM 510 C LEU A 35 11.873 -7.601 2.996 1.00 0.00 C ATOM 511 O LEU A 35 12.344 -8.694 3.314 1.00 0.00 O ATOM 512 CB LEU A 35 12.727 -5.966 1.304 1.00 0.00 C ATOM 513 CG LEU A 35 14.205 -6.211 1.598 1.00 0.00 C ATOM 514 CD1 LEU A 35 14.924 -6.692 0.347 1.00 0.00 C ATOM 515 CD2 LEU A 35 14.848 -4.943 2.136 1.00 0.00 C ATOM 0 H LEU A 35 10.284 -5.826 1.053 1.00 0.00 H new ATOM 0 HA LEU A 35 12.145 -8.006 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.627 -5.646 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.381 -5.141 1.927 1.00 0.00 H new ATOM 0 HG LEU A 35 14.288 -6.989 2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 35 15.976 -6.862 0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.473 -7.623 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.839 -5.937 -0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.902 -5.129 2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.758 -4.147 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.346 -4.642 3.056 1.00 0.00 H new ATOM 527 N CYS A 36 11.483 -6.693 3.879 1.00 0.00 N ATOM 528 CA CYS A 36 11.586 -6.910 5.313 1.00 0.00 C ATOM 529 C CYS A 36 10.560 -7.919 5.821 1.00 0.00 C ATOM 530 O CYS A 36 10.920 -8.935 6.413 1.00 0.00 O ATOM 531 CB CYS A 36 11.424 -5.570 6.016 1.00 0.00 C ATOM 532 SG CYS A 36 12.268 -4.216 5.140 1.00 0.00 S ATOM 0 H CYS A 36 11.088 -5.789 3.622 1.00 0.00 H new ATOM 0 HA CYS A 36 12.565 -7.335 5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.363 -5.336 6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.819 -5.645 7.029 1.00 0.00 H new ATOM 0 HG CYS A 36 11.570 -3.871 4.099 1.00 0.00 H new ATOM 537 N GLY A 37 9.298 -7.666 5.536 1.00 0.00 N ATOM 538 CA GLY A 37 8.255 -8.597 5.920 1.00 0.00 C ATOM 539 C GLY A 37 7.344 -8.060 7.008 1.00 0.00 C ATOM 540 O GLY A 37 6.680 -8.830 7.698 1.00 0.00 O ATOM 0 H GLY A 37 8.972 -6.833 5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.656 -8.844 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.713 -9.524 6.264 1.00 0.00 H new ATOM 710 N TYR A 48 7.124 2.786 -2.149 1.00 0.00 N ATOM 711 CA TYR A 48 6.986 2.826 -3.599 1.00 0.00 C ATOM 712 C TYR A 48 7.572 1.551 -4.174 1.00 0.00 C ATOM 713 O TYR A 48 8.676 1.163 -3.806 1.00 0.00 O ATOM 714 CB TYR A 48 7.704 4.031 -4.225 1.00 0.00 C ATOM 715 CG TYR A 48 8.286 5.030 -3.249 1.00 0.00 C ATOM 716 CD1 TYR A 48 7.491 6.028 -2.699 1.00 0.00 C ATOM 717 CD2 TYR A 48 9.632 4.993 -2.898 1.00 0.00 C ATOM 718 CE1 TYR A 48 8.015 6.958 -1.823 1.00 0.00 C ATOM 719 CE2 TYR A 48 10.159 5.921 -2.020 1.00 0.00 C ATOM 720 CZ TYR A 48 9.349 6.897 -1.486 1.00 0.00 C ATOM 721 OH TYR A 48 9.879 7.819 -0.611 1.00 0.00 O ATOM 0 HA TYR A 48 5.925 2.920 -3.832 1.00 0.00 H new ATOM 0 HB2 TYR A 48 8.509 3.661 -4.860 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.000 4.553 -4.874 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.444 6.077 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.272 4.230 -3.316 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.383 7.728 -1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.205 5.880 -1.753 1.00 0.00 H new ATOM 0 HH TYR A 48 10.832 7.634 -0.479 1.00 0.00 H new ATOM 731 N TYR A 49 6.846 0.888 -5.052 1.00 0.00 N ATOM 732 CA TYR A 49 7.335 -0.359 -5.616 1.00 0.00 C ATOM 733 C TYR A 49 8.282 -0.086 -6.780 1.00 0.00 C ATOM 734 O TYR A 49 8.095 0.862 -7.541 1.00 0.00 O ATOM 735 CB TYR A 49 6.165 -1.262 -6.034 1.00 0.00 C ATOM 736 CG TYR A 49 5.850 -1.278 -7.517 1.00 0.00 C ATOM 737 CD1 TYR A 49 5.276 -0.181 -8.146 1.00 0.00 C ATOM 738 CD2 TYR A 49 6.117 -2.405 -8.284 1.00 0.00 C ATOM 739 CE1 TYR A 49 4.977 -0.208 -9.496 1.00 0.00 C ATOM 740 CE2 TYR A 49 5.824 -2.438 -9.634 1.00 0.00 C ATOM 741 CZ TYR A 49 5.253 -1.336 -10.235 1.00 0.00 C ATOM 742 OH TYR A 49 4.952 -1.367 -11.580 1.00 0.00 O ATOM 0 H TYR A 49 5.929 1.184 -5.388 1.00 0.00 H new ATOM 0 HA TYR A 49 7.900 -0.890 -4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.384 -2.281 -5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.273 -0.944 -5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.060 0.708 -7.572 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.562 -3.271 -7.817 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.528 0.653 -9.969 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.041 -3.322 -10.215 1.00 0.00 H new ATOM 0 HH TYR A 49 5.211 -2.235 -11.953 1.00 0.00 H new ATOM 752 N LYS A 50 9.306 -0.915 -6.898 1.00 0.00 N ATOM 753 CA LYS A 50 10.280 -0.795 -7.969 1.00 0.00 C ATOM 754 C LYS A 50 9.828 -1.634 -9.160 1.00 0.00 C ATOM 755 O LYS A 50 8.990 -2.511 -8.993 1.00 0.00 O ATOM 756 CB LYS A 50 11.661 -1.232 -7.465 1.00 0.00 C ATOM 757 CG LYS A 50 12.615 -0.068 -7.243 1.00 0.00 C ATOM 758 CD LYS A 50 13.794 -0.455 -6.368 1.00 0.00 C ATOM 759 CE LYS A 50 14.629 -1.542 -7.014 1.00 0.00 C ATOM 760 NZ LYS A 50 15.429 -1.024 -8.151 1.00 0.00 N ATOM 0 H LYS A 50 9.485 -1.687 -6.256 1.00 0.00 H new ATOM 0 HA LYS A 50 10.355 0.243 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.543 -1.779 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.101 -1.922 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 50 12.980 0.289 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.076 0.759 -6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.415 0.422 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.432 -0.799 -5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.296 -1.978 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.976 -2.341 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.036 -1.782 -8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.791 -0.693 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 16.022 -0.233 -7.827 1.00 0.00 H new ATOM 774 N LEU A 51 10.326 -1.278 -10.353 1.00 0.00 N ATOM 775 CA LEU A 51 9.922 -1.866 -11.648 1.00 0.00 C ATOM 776 C LEU A 51 9.273 -3.244 -11.535 1.00 0.00 C ATOM 777 O LEU A 51 8.152 -3.452 -12.002 1.00 0.00 O ATOM 778 CB LEU A 51 11.130 -1.958 -12.589 1.00 0.00 C ATOM 779 CG LEU A 51 12.460 -1.487 -12.000 1.00 0.00 C ATOM 780 CD1 LEU A 51 13.163 -2.629 -11.284 1.00 0.00 C ATOM 781 CD2 LEU A 51 13.351 -0.913 -13.088 1.00 0.00 C ATOM 0 H LEU A 51 11.039 -0.555 -10.451 1.00 0.00 H new ATOM 0 HA LEU A 51 9.164 -1.193 -12.049 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.241 -2.994 -12.909 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.919 -1.369 -13.482 1.00 0.00 H new ATOM 0 HG LEU A 51 12.253 -0.701 -11.273 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.107 -2.274 -10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.530 -2.997 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.356 -3.437 -11.990 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.293 -0.583 -12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.548 -1.679 -13.838 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.852 -0.065 -13.557 1.00 0.00 H new ATOM 793 N GLY A 52 10.009 -4.194 -10.988 1.00 0.00 N ATOM 794 CA GLY A 52 9.508 -5.553 -10.900 1.00 0.00 C ATOM 795 C GLY A 52 9.537 -6.101 -9.488 1.00 0.00 C ATOM 796 O GLY A 52 9.424 -7.311 -9.282 1.00 0.00 O ATOM 0 H GLY A 52 10.943 -4.053 -10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.485 -5.583 -11.275 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.104 -6.197 -11.547 1.00 0.00 H new ATOM 800 N ARG A 53 9.632 -5.211 -8.511 1.00 0.00 N ATOM 801 CA ARG A 53 9.628 -5.613 -7.110 1.00 0.00 C ATOM 802 C ARG A 53 8.824 -4.624 -6.280 1.00 0.00 C ATOM 803 O ARG A 53 9.233 -3.475 -6.111 1.00 0.00 O ATOM 804 CB ARG A 53 11.055 -5.714 -6.547 1.00 0.00 C ATOM 805 CG ARG A 53 12.167 -5.537 -7.577 1.00 0.00 C ATOM 806 CD ARG A 53 13.525 -5.875 -6.982 1.00 0.00 C ATOM 807 NE ARG A 53 14.566 -6.023 -7.998 1.00 0.00 N ATOM 808 CZ ARG A 53 15.314 -7.118 -8.148 1.00 0.00 C ATOM 809 NH1 ARG A 53 15.100 -8.188 -7.385 1.00 0.00 N ATOM 810 NH2 ARG A 53 16.269 -7.148 -9.070 1.00 0.00 N ATOM 0 H ARG A 53 9.713 -4.205 -8.661 1.00 0.00 H new ATOM 0 HA ARG A 53 9.167 -6.599 -7.053 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.177 -4.960 -5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.173 -6.687 -6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.974 -6.177 -8.438 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.171 -4.509 -7.939 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.815 -5.092 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.447 -6.800 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 53 14.731 -5.241 -8.631 1.00 0.00 H new ATOM 0 HH11 ARG A 53 14.361 -8.173 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.675 -9.022 -7.504 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.431 -6.334 -9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.841 -7.985 -9.185 1.00 0.00 H new ATOM 824 N LYS A 54 7.719 -5.088 -5.707 1.00 0.00 N ATOM 825 CA LYS A 54 6.888 -4.245 -4.849 1.00 0.00 C ATOM 826 C LYS A 54 7.489 -4.146 -3.451 1.00 0.00 C ATOM 827 O LYS A 54 6.859 -4.510 -2.459 1.00 0.00 O ATOM 828 CB LYS A 54 5.450 -4.776 -4.775 1.00 0.00 C ATOM 829 CG LYS A 54 5.348 -6.291 -4.700 1.00 0.00 C ATOM 830 CD LYS A 54 4.422 -6.723 -3.574 1.00 0.00 C ATOM 831 CE LYS A 54 4.218 -8.230 -3.561 1.00 0.00 C ATOM 832 NZ LYS A 54 4.394 -8.798 -2.200 1.00 0.00 N ATOM 0 H LYS A 54 7.376 -6.042 -5.820 1.00 0.00 H new ATOM 0 HA LYS A 54 6.858 -3.248 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.961 -4.346 -3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.901 -4.429 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.979 -6.681 -5.648 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.339 -6.718 -4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.838 -6.404 -2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.458 -6.226 -3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.218 -8.465 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.926 -8.699 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.331 -9.835 -2.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.325 -8.524 -1.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.649 -8.433 -1.573 1.00 0.00 H new ATOM 846 N LEU A 55 8.722 -3.678 -3.394 1.00 0.00 N ATOM 847 CA LEU A 55 9.449 -3.575 -2.142 1.00 0.00 C ATOM 848 C LEU A 55 9.631 -2.117 -1.732 1.00 0.00 C ATOM 849 O LEU A 55 9.367 -1.199 -2.510 1.00 0.00 O ATOM 850 CB LEU A 55 10.808 -4.277 -2.259 1.00 0.00 C ATOM 851 CG LEU A 55 12.000 -3.366 -2.552 1.00 0.00 C ATOM 852 CD1 LEU A 55 13.279 -3.968 -1.995 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.125 -3.119 -4.046 1.00 0.00 C ATOM 0 H LEU A 55 9.246 -3.360 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 55 8.865 -4.070 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.002 -4.811 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.743 -5.026 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 55 11.833 -2.407 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.117 -3.306 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.184 -4.090 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.455 -4.940 -2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.979 -2.469 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.270 -4.069 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.216 -2.642 -4.413 1.00 0.00 H new ATOM 865 N CYS A 56 10.096 -1.931 -0.509 1.00 0.00 N ATOM 866 CA CYS A 56 10.343 -0.624 0.067 1.00 0.00 C ATOM 867 C CYS A 56 11.491 0.091 -0.649 1.00 0.00 C ATOM 868 O CYS A 56 12.255 -0.530 -1.379 1.00 0.00 O ATOM 869 CB CYS A 56 10.688 -0.869 1.523 1.00 0.00 C ATOM 870 SG CYS A 56 10.840 -2.656 1.889 1.00 0.00 S ATOM 0 H CYS A 56 10.316 -2.701 0.123 1.00 0.00 H new ATOM 0 HA CYS A 56 9.470 0.021 -0.036 1.00 0.00 H new ATOM 0 HB2 CYS A 56 11.625 -0.367 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.918 -0.431 2.158 1.00 0.00 H new ATOM 0 HG CYS A 56 10.112 -2.950 2.925 1.00 0.00 H new ATOM 875 N ARG A 57 11.648 1.383 -0.400 1.00 0.00 N ATOM 876 CA ARG A 57 12.773 2.120 -0.959 1.00 0.00 C ATOM 877 C ARG A 57 13.803 2.413 0.120 1.00 0.00 C ATOM 878 O ARG A 57 15.001 2.251 -0.087 1.00 0.00 O ATOM 879 CB ARG A 57 12.318 3.419 -1.615 1.00 0.00 C ATOM 880 CG ARG A 57 13.337 3.995 -2.587 1.00 0.00 C ATOM 881 CD ARG A 57 13.514 3.112 -3.810 1.00 0.00 C ATOM 882 NE ARG A 57 12.407 3.259 -4.749 1.00 0.00 N ATOM 883 CZ ARG A 57 11.416 2.382 -4.873 1.00 0.00 C ATOM 884 NH1 ARG A 57 11.372 1.297 -4.101 1.00 0.00 N ATOM 885 NH2 ARG A 57 10.460 2.598 -5.763 1.00 0.00 N ATOM 0 H ARG A 57 11.018 1.938 0.179 1.00 0.00 H new ATOM 0 HA ARG A 57 13.229 1.496 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.382 3.241 -2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.110 4.156 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 57 13.019 4.989 -2.900 1.00 0.00 H new ATOM 0 HG3 ARG A 57 14.296 4.112 -2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 57 14.450 3.365 -4.309 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.590 2.070 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 57 12.393 4.085 -5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.103 1.134 -3.408 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.608 0.629 -4.203 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.487 3.433 -6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.696 1.929 -5.864 1.00 0.00 H new ATOM 899 N ARG A 58 13.326 2.821 1.283 1.00 0.00 N ATOM 900 CA ARG A 58 14.211 3.111 2.400 1.00 0.00 C ATOM 901 C ARG A 58 14.824 1.822 2.927 1.00 0.00 C ATOM 902 O ARG A 58 16.003 1.780 3.277 1.00 0.00 O ATOM 903 CB ARG A 58 13.456 3.834 3.519 1.00 0.00 C ATOM 904 CG ARG A 58 12.826 5.154 3.094 1.00 0.00 C ATOM 905 CD ARG A 58 13.833 6.059 2.404 1.00 0.00 C ATOM 906 NE ARG A 58 13.350 7.436 2.276 1.00 0.00 N ATOM 907 CZ ARG A 58 14.034 8.504 2.696 1.00 0.00 C ATOM 908 NH1 ARG A 58 15.187 8.349 3.333 1.00 0.00 N ATOM 909 NH2 ARG A 58 13.556 9.727 2.499 1.00 0.00 N ATOM 0 H ARG A 58 12.335 2.959 1.479 1.00 0.00 H new ATOM 0 HA ARG A 58 15.008 3.766 2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.674 3.176 3.898 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.143 4.021 4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.991 4.959 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.419 5.662 3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 58 14.766 6.055 2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.056 5.662 1.414 1.00 0.00 H new ATOM 0 HE ARG A 58 12.440 7.588 1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 58 15.554 7.413 3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 58 15.707 9.166 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.662 9.855 2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.083 10.539 2.822 1.00 0.00 H new ATOM 923 N ASP A 59 14.044 0.749 2.889 1.00 0.00 N ATOM 924 CA ASP A 59 14.534 -0.556 3.298 1.00 0.00 C ATOM 925 C ASP A 59 15.318 -1.193 2.164 1.00 0.00 C ATOM 926 O ASP A 59 16.283 -1.924 2.402 1.00 0.00 O ATOM 927 CB ASP A 59 13.378 -1.465 3.719 1.00 0.00 C ATOM 928 CG ASP A 59 12.498 -0.865 4.807 1.00 0.00 C ATOM 929 OD1 ASP A 59 13.041 -0.160 5.700 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.262 -1.086 4.773 1.00 0.00 O ATOM 0 H ASP A 59 13.072 0.759 2.580 1.00 0.00 H new ATOM 0 HA ASP A 59 15.192 -0.424 4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.763 -1.685 2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.782 -2.414 4.072 1.00 0.00 H new ATOM 935 N TYR A 60 14.999 -0.794 0.934 1.00 0.00 N ATOM 936 CA TYR A 60 15.778 -1.207 -0.224 1.00 0.00 C ATOM 937 C TYR A 60 17.195 -0.656 -0.094 1.00 0.00 C ATOM 938 O TYR A 60 18.165 -1.304 -0.484 1.00 0.00 O ATOM 939 CB TYR A 60 15.126 -0.715 -1.534 1.00 0.00 C ATOM 940 CG TYR A 60 16.104 -0.132 -2.536 1.00 0.00 C ATOM 941 CD1 TYR A 60 16.473 1.209 -2.479 1.00 0.00 C ATOM 942 CD2 TYR A 60 16.699 -0.935 -3.501 1.00 0.00 C ATOM 943 CE1 TYR A 60 17.413 1.723 -3.343 1.00 0.00 C ATOM 944 CE2 TYR A 60 17.630 -0.419 -4.381 1.00 0.00 C ATOM 945 CZ TYR A 60 17.988 0.909 -4.291 1.00 0.00 C ATOM 946 OH TYR A 60 18.944 1.421 -5.134 1.00 0.00 O ATOM 0 H TYR A 60 14.208 -0.187 0.717 1.00 0.00 H new ATOM 0 HA TYR A 60 15.811 -2.296 -0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.600 -1.548 -2.000 1.00 0.00 H new ATOM 0 HB3 TYR A 60 14.378 0.040 -1.293 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.015 1.856 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 60 16.429 -1.979 -3.564 1.00 0.00 H new ATOM 0 HE1 TYR A 60 17.698 2.763 -3.277 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.075 -1.052 -5.135 1.00 0.00 H new ATOM 0 HH TYR A 60 19.252 0.719 -5.744 1.00 0.00 H new ATOM 1420 N LEU A 96 3.974 4.636 -5.245 1.00 0.00 N ATOM 1421 CA LEU A 96 3.500 4.316 -3.910 1.00 0.00 C ATOM 1422 C LEU A 96 2.062 3.816 -3.964 1.00 0.00 C ATOM 1423 O LEU A 96 1.429 3.835 -5.023 1.00 0.00 O ATOM 1424 CB LEU A 96 3.623 5.540 -2.997 1.00 0.00 C ATOM 1425 CG LEU A 96 3.057 6.838 -3.567 1.00 0.00 C ATOM 1426 CD1 LEU A 96 1.571 6.912 -3.284 1.00 0.00 C ATOM 1427 CD2 LEU A 96 3.778 8.040 -2.979 1.00 0.00 C ATOM 0 HA LEU A 96 4.119 3.520 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.116 5.324 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.676 5.694 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 96 3.212 6.850 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.169 7.839 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.069 6.063 -3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.404 6.887 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.360 8.956 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.652 8.046 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.839 7.982 -3.221 1.00 0.00 H new ATOM 1439 N ILE A 97 1.549 3.378 -2.830 1.00 0.00 N ATOM 1440 CA ILE A 97 0.185 2.881 -2.760 1.00 0.00 C ATOM 1441 C ILE A 97 -0.713 3.848 -2.006 1.00 0.00 C ATOM 1442 O ILE A 97 -0.249 4.642 -1.186 1.00 0.00 O ATOM 1443 CB ILE A 97 0.097 1.497 -2.087 1.00 0.00 C ATOM 1444 CG1 ILE A 97 1.470 1.041 -1.585 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -0.487 0.480 -3.055 1.00 0.00 C ATOM 1446 CD1 ILE A 97 1.590 1.037 -0.076 1.00 0.00 C ATOM 0 H ILE A 97 2.054 3.356 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.154 2.787 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.563 1.577 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.670 0.037 -1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.236 1.696 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.544 -0.494 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.486 0.795 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.151 0.409 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.588 0.704 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.421 2.044 0.305 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.847 0.360 0.346 1.00 0.00 H new ATOM 1458 N THR A 98 -2.001 3.761 -2.279 1.00 0.00 N ATOM 1459 CA THR A 98 -2.984 4.596 -1.623 1.00 0.00 C ATOM 1460 C THR A 98 -4.129 3.734 -1.092 1.00 0.00 C ATOM 1461 O THR A 98 -4.410 2.655 -1.628 1.00 0.00 O ATOM 1462 CB THR A 98 -3.524 5.680 -2.591 1.00 0.00 C ATOM 1463 OG1 THR A 98 -4.159 6.738 -1.862 1.00 0.00 O ATOM 1464 CG2 THR A 98 -4.511 5.092 -3.589 1.00 0.00 C ATOM 0 H THR A 98 -2.393 3.111 -2.960 1.00 0.00 H new ATOM 0 HA THR A 98 -2.504 5.103 -0.785 1.00 0.00 H new ATOM 0 HB THR A 98 -2.670 6.079 -3.139 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.492 7.413 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.870 5.879 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 98 -4.017 4.319 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 98 -5.354 4.656 -3.053 1.00 0.00 H new ATOM 1472 N ARG A 99 -4.780 4.207 -0.042 1.00 0.00 N ATOM 1473 CA ARG A 99 -5.915 3.501 0.529 1.00 0.00 C ATOM 1474 C ARG A 99 -7.175 3.904 -0.218 1.00 0.00 C ATOM 1475 O ARG A 99 -7.408 5.091 -0.447 1.00 0.00 O ATOM 1476 CB ARG A 99 -6.059 3.817 2.020 1.00 0.00 C ATOM 1477 CG ARG A 99 -5.103 3.036 2.911 1.00 0.00 C ATOM 1478 CD ARG A 99 -5.785 1.844 3.561 1.00 0.00 C ATOM 1479 NE ARG A 99 -6.814 2.251 4.518 1.00 0.00 N ATOM 1480 CZ ARG A 99 -6.785 1.969 5.820 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -5.728 1.368 6.351 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -7.798 2.324 6.593 1.00 0.00 N ATOM 0 H ARG A 99 -4.542 5.078 0.433 1.00 0.00 H new ATOM 0 HA ARG A 99 -5.755 2.427 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.893 4.883 2.173 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.083 3.606 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -4.254 2.692 2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.707 3.694 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -6.235 1.220 2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.039 1.233 4.070 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.607 2.787 4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -4.933 1.120 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -5.710 1.154 7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.599 2.812 6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.778 2.109 7.590 1.00 0.00 H new ATOM 1496 N LEU A 100 -7.903 2.926 -0.723 1.00 0.00 N ATOM 1497 CA LEU A 100 -9.040 3.208 -1.575 1.00 0.00 C ATOM 1498 C LEU A 100 -10.297 2.514 -1.085 1.00 0.00 C ATOM 1499 O LEU A 100 -10.255 1.659 -0.198 1.00 0.00 O ATOM 1500 CB LEU A 100 -8.742 2.763 -3.003 1.00 0.00 C ATOM 1501 CG LEU A 100 -9.213 3.722 -4.092 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -8.100 4.690 -4.454 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -9.678 2.949 -5.314 1.00 0.00 C ATOM 0 H LEU A 100 -7.728 1.935 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.213 4.284 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.666 2.622 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.208 1.792 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.058 4.297 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.448 5.370 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -7.815 5.264 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.237 4.132 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.011 3.648 -6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -8.854 2.350 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.504 2.294 -5.037 1.00 0.00 H new ATOM 1515 N GLU A 101 -11.385 2.800 -1.774 1.00 0.00 N ATOM 1516 CA GLU A 101 -12.665 2.156 -1.517 1.00 0.00 C ATOM 1517 C GLU A 101 -13.008 1.223 -2.666 1.00 0.00 C ATOM 1518 O GLU A 101 -12.653 1.503 -3.813 1.00 0.00 O ATOM 1519 CB GLU A 101 -13.781 3.195 -1.335 1.00 0.00 C ATOM 1520 CG GLU A 101 -13.434 4.579 -1.862 1.00 0.00 C ATOM 1521 CD GLU A 101 -14.569 5.219 -2.637 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -14.666 4.983 -3.861 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -15.358 5.974 -2.034 1.00 0.00 O ATOM 0 H GLU A 101 -11.410 3.485 -2.529 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.582 1.583 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.679 2.840 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -14.022 3.272 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.164 5.223 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.557 4.508 -2.505 1.00 0.00 H new ATOM 1530 N ASN A 102 -13.651 0.103 -2.345 1.00 0.00 N ATOM 1531 CA ASN A 102 -14.029 -0.901 -3.345 1.00 0.00 C ATOM 1532 C ASN A 102 -14.904 -0.280 -4.436 1.00 0.00 C ATOM 1533 O ASN A 102 -14.410 0.152 -5.479 1.00 0.00 O ATOM 1534 CB ASN A 102 -14.776 -2.058 -2.667 1.00 0.00 C ATOM 1535 CG ASN A 102 -14.877 -3.295 -3.546 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -15.319 -3.224 -4.691 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -14.486 -4.438 -3.001 1.00 0.00 N ATOM 0 H ASN A 102 -13.925 -0.136 -1.392 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.121 -1.283 -3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.266 -2.319 -1.739 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.779 -1.727 -2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -14.546 -5.305 -3.536 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.125 -4.451 -2.047 1.00 0.00 H new ATOM 1544 N THR A 103 -16.194 -0.186 -4.162 1.00 0.00 N ATOM 1545 CA THR A 103 -17.131 0.452 -5.063 1.00 0.00 C ATOM 1546 C THR A 103 -18.199 1.176 -4.239 1.00 0.00 C ATOM 1547 O THR A 103 -17.867 1.910 -3.306 1.00 0.00 O ATOM 1548 CB THR A 103 -17.781 -0.570 -6.033 1.00 0.00 C ATOM 1549 OG1 THR A 103 -16.827 -1.576 -6.416 1.00 0.00 O ATOM 1550 CG2 THR A 103 -18.296 0.125 -7.285 1.00 0.00 C ATOM 0 H THR A 103 -16.618 -0.550 -3.309 1.00 0.00 H new ATOM 0 HA THR A 103 -16.591 1.172 -5.678 1.00 0.00 H new ATOM 0 HB THR A 103 -18.617 -1.037 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.571 -2.100 -5.629 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.747 -0.611 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 103 -19.043 0.869 -7.007 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.467 0.616 -7.796 1.00 0.00 H new