USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 692 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 72 CYS SG : rot 146:sc= 0.778 USER MOD Set 1.2: A 75 CYS SG : rot -55:sc= -1.59 USER MOD Set 1.3: A 98 CYS SG : rot -136:sc= 0.976 USER MOD Set 1.4: A 101 CYS SG : rot 97:sc= -2.25 USER MOD Set 2.1: A 57 CYS SG : rot 170:sc= 1 USER MOD Set 2.2: A 60 CYS SG : rot -60:sc= 0.0728 USER MOD Set 2.3: A 69 MET CE :methyl 147:sc= -0.511 (180deg=-1.42) USER MOD Set 2.4: A 80 HIS : no HE2:sc= -3.91! X(o=-2.1!,f=-1.9) USER MOD Set 2.5: A 83 CYS SG : rot 57:sc= 1.28 USER MOD Set 3.1: A 25 CYS SG : rot 146:sc= 1.08 USER MOD Set 3.2: A 28 CYS SG : rot -56:sc= 0.0306 USER MOD Set 3.3: A 51 CYS SG : rot -144:sc= -0.615! USER MOD Set 3.4: A 54 CYS SG : rot 121:sc= -2.37 USER MOD Set 4.1: A 10 CYS SG : rot 150:sc= -1.12 USER MOD Set 4.2: A 13 CYS SG : rot -135:sc= -1.59 USER MOD Set 4.3: A 22 GLN : amide:sc= -2.39! C(o=-6.4!,f=-11!) USER MOD Set 4.4: A 33 HIS : no HD1:sc= -0.0678 K(o=-6.4,f=-7.6) USER MOD Set 4.5: A 36 CYS SG : rot -179:sc= -1.28 USER MOD Single : A 9 ASN : amide:sc= -2.14! K(o=-2.1!,f=-0.029) USER MOD Single : A 15 SER OG : rot 180:sc= -0.749 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.44) USER MOD Single : A 31 HIS : no HD1:sc= -2.27 K(o=-2,f=-3.4) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.3 USER MOD Single : A 35 MET CE :methyl -126:sc= -0.193 (180deg=-0.927) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= 0.377 (180deg=0.219) USER MOD Single : A 50 GLN : amide:sc= -0.0539 X(o=-0.054,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -114:sc= -0.235 (180deg=-2.05!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 59 ASN : amide:sc= -0.959 K(o=-0.96,f=-0.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 139:sc= 1.27 (180deg=0.317) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.152 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 85 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.4!) USER MOD Single : A 88 MET CE :methyl -110:sc= -0.614 (180deg=-4.1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.1!) USER MOD Single : A 97 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.41) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -17.571 3.446 -0.028 1.00 0.00 N ATOM 67 CA ALA A 8 -16.223 2.897 0.046 1.00 0.00 C ATOM 68 C ALA A 8 -15.935 2.336 1.435 1.00 0.00 C ATOM 69 O ALA A 8 -15.575 3.075 2.350 1.00 0.00 O ATOM 70 CB ALA A 8 -15.198 3.961 -0.319 1.00 0.00 C ATOM 0 HA ALA A 8 -16.151 2.079 -0.670 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.196 3.536 -0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.384 4.312 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.279 4.798 0.375 1.00 0.00 H new ATOM 76 N ASN A 9 -16.096 1.025 1.584 1.00 0.00 N ATOM 77 CA ASN A 9 -15.854 0.366 2.862 1.00 0.00 C ATOM 78 C ASN A 9 -14.531 -0.393 2.841 1.00 0.00 C ATOM 79 O ASN A 9 -13.857 -0.460 1.813 1.00 0.00 O ATOM 80 CB ASN A 9 -17.000 -0.593 3.190 1.00 0.00 C ATOM 81 CG ASN A 9 -18.231 0.131 3.703 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.972 0.740 2.931 1.00 0.00 O ATOM 83 ND2 ASN A 9 -18.453 0.066 5.010 1.00 0.00 N ATOM 0 H ASN A 9 -16.393 0.399 0.836 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.800 1.134 3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.262 -1.161 2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.666 -1.311 3.939 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -19.265 0.533 5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.811 -0.451 5.611 1.00 0.00 H new ATOM 90 N CYS A 10 -14.165 -0.965 3.983 1.00 0.00 N ATOM 91 CA CYS A 10 -12.923 -1.720 4.097 1.00 0.00 C ATOM 92 C CYS A 10 -12.992 -3.007 3.280 1.00 0.00 C ATOM 93 O CYS A 10 -13.954 -3.767 3.380 1.00 0.00 O ATOM 94 CB CYS A 10 -12.635 -2.050 5.563 1.00 0.00 C ATOM 95 SG CYS A 10 -10.909 -2.531 5.892 1.00 0.00 S ATOM 0 H CYS A 10 -14.711 -0.920 4.843 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.115 -1.103 3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.882 -1.182 6.175 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.293 -2.860 5.878 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.587 -2.189 7.104 1.00 0.00 H new ATOM 100 N ALA A 11 -11.964 -3.243 2.471 1.00 0.00 N ATOM 101 CA ALA A 11 -11.906 -4.438 1.638 1.00 0.00 C ATOM 102 C ALA A 11 -11.315 -5.615 2.407 1.00 0.00 C ATOM 103 O ALA A 11 -11.075 -6.682 1.841 1.00 0.00 O ATOM 104 CB ALA A 11 -11.095 -4.166 0.380 1.00 0.00 C ATOM 0 H ALA A 11 -11.160 -2.622 2.375 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.924 -4.700 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.060 -5.067 -0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.562 -3.360 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.081 -3.876 0.656 1.00 0.00 H new ATOM 110 N VAL A 12 -11.081 -5.414 3.700 1.00 0.00 N ATOM 111 CA VAL A 12 -10.518 -6.459 4.546 1.00 0.00 C ATOM 112 C VAL A 12 -11.542 -6.957 5.560 1.00 0.00 C ATOM 113 O VAL A 12 -11.636 -8.156 5.826 1.00 0.00 O ATOM 114 CB VAL A 12 -9.269 -5.961 5.298 1.00 0.00 C ATOM 115 CG1 VAL A 12 -8.766 -7.024 6.262 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.180 -5.562 4.314 1.00 0.00 C ATOM 0 H VAL A 12 -11.273 -4.537 4.184 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.234 -7.280 3.887 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.543 -5.080 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.883 -6.654 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.546 -7.256 6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.508 -7.926 5.707 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.305 -5.213 4.862 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.907 -6.424 3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.547 -4.763 3.669 1.00 0.00 H new ATOM 126 N CYS A 13 -12.309 -6.030 6.122 1.00 0.00 N ATOM 127 CA CYS A 13 -13.328 -6.373 7.107 1.00 0.00 C ATOM 128 C CYS A 13 -14.725 -6.065 6.575 1.00 0.00 C ATOM 129 O CYS A 13 -15.703 -6.705 6.961 1.00 0.00 O ATOM 130 CB CYS A 13 -13.086 -5.608 8.410 1.00 0.00 C ATOM 131 SG CYS A 13 -13.354 -3.811 8.278 1.00 0.00 S ATOM 0 H CYS A 13 -12.244 -5.034 5.912 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.261 -7.443 7.304 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.745 -6.007 9.181 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.063 -5.789 8.740 1.00 0.00 H new ATOM 0 HG CYS A 13 -12.376 -3.183 8.861 1.00 0.00 H new ATOM 136 N ASP A 14 -14.809 -5.080 5.687 1.00 0.00 N ATOM 137 CA ASP A 14 -16.085 -4.687 5.100 1.00 0.00 C ATOM 138 C ASP A 14 -16.926 -3.903 6.103 1.00 0.00 C ATOM 139 O ASP A 14 -18.108 -4.187 6.293 1.00 0.00 O ATOM 140 CB ASP A 14 -16.854 -5.921 4.625 1.00 0.00 C ATOM 141 CG ASP A 14 -17.961 -5.573 3.650 1.00 0.00 C ATOM 142 OD1 ASP A 14 -17.643 -5.168 2.512 1.00 0.00 O ATOM 143 OD2 ASP A 14 -19.146 -5.706 4.024 1.00 0.00 O ATOM 0 H ASP A 14 -14.009 -4.539 5.358 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.880 -4.044 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.162 -6.617 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.281 -6.434 5.487 1.00 0.00 H new ATOM 148 N SER A 15 -16.306 -2.916 6.743 1.00 0.00 N ATOM 149 CA SER A 15 -16.996 -2.094 7.730 1.00 0.00 C ATOM 150 C SER A 15 -16.626 -0.623 7.566 1.00 0.00 C ATOM 151 O SER A 15 -15.487 -0.273 7.256 1.00 0.00 O ATOM 152 CB SER A 15 -16.652 -2.563 9.145 1.00 0.00 C ATOM 153 OG SER A 15 -17.736 -2.346 10.032 1.00 0.00 O ATOM 0 H SER A 15 -15.328 -2.667 6.596 1.00 0.00 H new ATOM 0 HA SER A 15 -18.069 -2.201 7.570 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.398 -3.623 9.129 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.772 -2.030 9.504 1.00 0.00 H new ATOM 0 HG SER A 15 -17.492 -2.656 10.929 1.00 0.00 H new ATOM 159 N PRO A 16 -17.612 0.261 7.777 1.00 0.00 N ATOM 160 CA PRO A 16 -17.416 1.709 7.659 1.00 0.00 C ATOM 161 C PRO A 16 -16.542 2.269 8.776 1.00 0.00 C ATOM 162 O PRO A 16 -15.568 2.976 8.520 1.00 0.00 O ATOM 163 CB PRO A 16 -18.837 2.269 7.761 1.00 0.00 C ATOM 164 CG PRO A 16 -19.595 1.241 8.528 1.00 0.00 C ATOM 165 CD PRO A 16 -18.995 -0.084 8.149 1.00 0.00 C ATOM 0 HA PRO A 16 -16.903 1.976 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.847 3.232 8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.272 2.427 6.774 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.512 1.415 9.601 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.656 1.274 8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.024 -0.790 8.979 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.531 -0.545 7.320 1.00 0.00 H new ATOM 173 N GLY A 17 -16.896 1.947 10.016 1.00 0.00 N ATOM 174 CA GLY A 17 -16.132 2.426 11.154 1.00 0.00 C ATOM 175 C GLY A 17 -15.659 3.854 10.974 1.00 0.00 C ATOM 176 O GLY A 17 -16.469 4.776 10.872 1.00 0.00 O ATOM 0 H GLY A 17 -17.698 1.363 10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.745 2.360 12.053 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.270 1.777 11.308 1.00 0.00 H new ATOM 180 N ASP A 18 -14.344 4.040 10.936 1.00 0.00 N ATOM 181 CA ASP A 18 -13.763 5.367 10.768 1.00 0.00 C ATOM 182 C ASP A 18 -13.030 5.475 9.435 1.00 0.00 C ATOM 183 O ASP A 18 -12.061 4.755 9.187 1.00 0.00 O ATOM 184 CB ASP A 18 -12.804 5.677 11.918 1.00 0.00 C ATOM 185 CG ASP A 18 -12.752 7.156 12.247 1.00 0.00 C ATOM 186 OD1 ASP A 18 -12.760 7.973 11.303 1.00 0.00 O ATOM 187 OD2 ASP A 18 -12.702 7.496 13.448 1.00 0.00 O ATOM 0 H ASP A 18 -13.660 3.288 11.019 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.574 6.095 10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.112 5.122 12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.804 5.331 11.657 1.00 0.00 H new ATOM 192 N LEU A 19 -13.499 6.376 8.579 1.00 0.00 N ATOM 193 CA LEU A 19 -12.889 6.577 7.269 1.00 0.00 C ATOM 194 C LEU A 19 -11.619 7.414 7.383 1.00 0.00 C ATOM 195 O LEU A 19 -10.590 7.085 6.791 1.00 0.00 O ATOM 196 CB LEU A 19 -13.879 7.258 6.323 1.00 0.00 C ATOM 197 CG LEU A 19 -14.895 6.341 5.642 1.00 0.00 C ATOM 198 CD1 LEU A 19 -15.707 5.581 6.678 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.810 7.144 4.729 1.00 0.00 C ATOM 0 H LEU A 19 -14.300 6.979 8.768 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.623 5.600 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.424 8.017 6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.313 7.778 5.550 1.00 0.00 H new ATOM 0 HG LEU A 19 -14.352 5.617 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.425 4.934 6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.039 4.975 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.240 6.289 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.527 6.475 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -16.345 7.891 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.215 7.642 3.964 1.00 0.00 H new ATOM 211 N LEU A 20 -11.697 8.497 8.149 1.00 0.00 N ATOM 212 CA LEU A 20 -10.553 9.381 8.343 1.00 0.00 C ATOM 213 C LEU A 20 -9.423 8.658 9.069 1.00 0.00 C ATOM 214 O LEU A 20 -8.250 8.821 8.731 1.00 0.00 O ATOM 215 CB LEU A 20 -10.970 10.622 9.134 1.00 0.00 C ATOM 216 CG LEU A 20 -11.595 11.757 8.322 1.00 0.00 C ATOM 217 CD1 LEU A 20 -12.298 12.745 9.240 1.00 0.00 C ATOM 218 CD2 LEU A 20 -10.535 12.461 7.488 1.00 0.00 C ATOM 0 H LEU A 20 -12.540 8.784 8.646 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.192 9.688 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.681 10.317 9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.092 11.012 9.650 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.336 11.331 7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.737 13.546 8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.084 12.231 9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.577 13.167 9.941 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.997 13.266 6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -9.771 12.875 8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.077 11.747 6.804 1.00 0.00 H new ATOM 230 N ASP A 21 -9.784 7.856 10.065 1.00 0.00 N ATOM 231 CA ASP A 21 -8.800 7.105 10.836 1.00 0.00 C ATOM 232 C ASP A 21 -7.959 6.217 9.926 1.00 0.00 C ATOM 233 O ASP A 21 -6.730 6.247 9.978 1.00 0.00 O ATOM 234 CB ASP A 21 -9.497 6.253 11.899 1.00 0.00 C ATOM 235 CG ASP A 21 -8.588 5.927 13.067 1.00 0.00 C ATOM 236 OD1 ASP A 21 -8.474 6.769 13.982 1.00 0.00 O ATOM 237 OD2 ASP A 21 -7.990 4.831 13.066 1.00 0.00 O ATOM 0 H ASP A 21 -10.750 7.709 10.357 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.139 7.818 11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.378 6.782 12.264 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.847 5.326 11.445 1.00 0.00 H new ATOM 242 N GLN A 22 -8.630 5.427 9.093 1.00 0.00 N ATOM 243 CA GLN A 22 -7.943 4.529 8.173 1.00 0.00 C ATOM 244 C GLN A 22 -7.413 5.291 6.962 1.00 0.00 C ATOM 245 O GLN A 22 -7.777 6.445 6.734 1.00 0.00 O ATOM 246 CB GLN A 22 -8.885 3.414 7.716 1.00 0.00 C ATOM 247 CG GLN A 22 -10.078 3.915 6.918 1.00 0.00 C ATOM 248 CD GLN A 22 -11.081 2.819 6.618 1.00 0.00 C ATOM 249 OE1 GLN A 22 -10.749 1.811 5.993 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.318 3.009 7.063 1.00 0.00 N ATOM 0 H GLN A 22 -9.648 5.391 9.037 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.097 4.087 8.700 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.325 2.703 7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.245 2.872 8.591 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.572 4.713 7.473 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.728 4.348 5.981 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.550 3.859 7.577 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.036 2.305 6.891 1.00 0.00 H new ATOM 259 N PHE A 23 -6.551 4.639 6.189 1.00 0.00 N ATOM 260 CA PHE A 23 -5.970 5.255 5.002 1.00 0.00 C ATOM 261 C PHE A 23 -6.947 5.208 3.831 1.00 0.00 C ATOM 262 O PHE A 23 -7.905 4.434 3.838 1.00 0.00 O ATOM 263 CB PHE A 23 -4.666 4.551 4.622 1.00 0.00 C ATOM 264 CG PHE A 23 -3.647 4.540 5.725 1.00 0.00 C ATOM 265 CD1 PHE A 23 -3.724 3.608 6.748 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.612 5.461 5.739 1.00 0.00 C ATOM 267 CE1 PHE A 23 -2.787 3.596 7.764 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.672 5.454 6.753 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.760 4.519 7.766 1.00 0.00 C ATOM 0 H PHE A 23 -6.239 3.684 6.363 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.757 6.299 5.233 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.888 3.524 4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.238 5.043 3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.525 2.883 6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.539 6.193 4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.858 2.865 8.556 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.871 6.178 6.753 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.026 4.510 8.559 1.00 0.00 H new ATOM 279 N PHE A 24 -6.698 6.043 2.827 1.00 0.00 N ATOM 280 CA PHE A 24 -7.556 6.099 1.649 1.00 0.00 C ATOM 281 C PHE A 24 -6.723 6.170 0.373 1.00 0.00 C ATOM 282 O PHE A 24 -6.065 7.175 0.103 1.00 0.00 O ATOM 283 CB PHE A 24 -8.491 7.307 1.730 1.00 0.00 C ATOM 284 CG PHE A 24 -8.868 7.864 0.387 1.00 0.00 C ATOM 285 CD1 PHE A 24 -9.741 7.178 -0.442 1.00 0.00 C ATOM 286 CD2 PHE A 24 -8.349 9.073 -0.047 1.00 0.00 C ATOM 287 CE1 PHE A 24 -10.091 7.688 -1.679 1.00 0.00 C ATOM 288 CE2 PHE A 24 -8.695 9.588 -1.282 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.566 8.894 -2.099 1.00 0.00 C ATOM 0 H PHE A 24 -5.910 6.690 2.806 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.153 5.188 1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.397 7.020 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.011 8.090 2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.153 6.234 -0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.666 9.619 0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.774 7.144 -2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.285 10.532 -1.608 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.836 9.294 -3.065 1.00 0.00 H new ATOM 299 N CYS A 25 -6.756 5.096 -0.409 1.00 0.00 N ATOM 300 CA CYS A 25 -6.004 5.034 -1.656 1.00 0.00 C ATOM 301 C CYS A 25 -6.468 6.119 -2.625 1.00 0.00 C ATOM 302 O CYS A 25 -7.597 6.603 -2.539 1.00 0.00 O ATOM 303 CB CYS A 25 -6.161 3.657 -2.303 1.00 0.00 C ATOM 304 SG CYS A 25 -5.004 3.343 -3.674 1.00 0.00 S ATOM 0 H CYS A 25 -7.296 4.256 -0.201 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.952 5.202 -1.426 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.020 2.891 -1.540 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.181 3.555 -2.672 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.682 2.084 -3.690 1.00 0.00 H new ATOM 309 N THR A 26 -5.588 6.496 -3.548 1.00 0.00 N ATOM 310 CA THR A 26 -5.905 7.522 -4.532 1.00 0.00 C ATOM 311 C THR A 26 -6.213 6.905 -5.891 1.00 0.00 C ATOM 312 O THR A 26 -7.061 7.401 -6.633 1.00 0.00 O ATOM 313 CB THR A 26 -4.749 8.528 -4.688 1.00 0.00 C ATOM 314 OG1 THR A 26 -3.520 7.829 -4.913 1.00 0.00 O ATOM 315 CG2 THR A 26 -4.622 9.402 -3.449 1.00 0.00 C ATOM 0 H THR A 26 -4.650 6.105 -3.634 1.00 0.00 H new ATOM 0 HA THR A 26 -6.787 8.047 -4.166 1.00 0.00 H new ATOM 0 HB THR A 26 -4.965 9.168 -5.544 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.790 8.475 -5.013 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.799 10.105 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.549 9.954 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.426 8.774 -2.580 1.00 0.00 H new ATOM 323 N THR A 27 -5.519 5.818 -6.213 1.00 0.00 N ATOM 324 CA THR A 27 -5.718 5.132 -7.484 1.00 0.00 C ATOM 325 C THR A 27 -7.092 4.474 -7.544 1.00 0.00 C ATOM 326 O THR A 27 -7.955 4.886 -8.319 1.00 0.00 O ATOM 327 CB THR A 27 -4.637 4.060 -7.719 1.00 0.00 C ATOM 328 OG1 THR A 27 -3.336 4.655 -7.657 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.828 3.386 -9.069 1.00 0.00 C ATOM 0 H THR A 27 -4.814 5.393 -5.611 1.00 0.00 H new ATOM 0 HA THR A 27 -5.646 5.888 -8.266 1.00 0.00 H new ATOM 0 HB THR A 27 -4.729 3.305 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.654 3.967 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.053 2.633 -9.213 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.808 2.909 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.760 4.132 -9.861 1.00 0.00 H new ATOM 337 N CYS A 28 -7.288 3.449 -6.722 1.00 0.00 N ATOM 338 CA CYS A 28 -8.558 2.733 -6.681 1.00 0.00 C ATOM 339 C CYS A 28 -9.568 3.467 -5.804 1.00 0.00 C ATOM 340 O CYS A 28 -10.766 3.462 -6.082 1.00 0.00 O ATOM 341 CB CYS A 28 -8.349 1.311 -6.158 1.00 0.00 C ATOM 342 SG CYS A 28 -7.900 1.226 -4.394 1.00 0.00 S ATOM 0 H CYS A 28 -6.584 3.095 -6.075 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.953 2.685 -7.696 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.263 0.739 -6.317 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.566 0.831 -6.745 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.831 1.936 -4.184 1.00 0.00 H new ATOM 347 N GLY A 29 -9.074 4.096 -4.742 1.00 0.00 N ATOM 348 CA GLY A 29 -9.946 4.825 -3.840 1.00 0.00 C ATOM 349 C GLY A 29 -10.572 3.930 -2.789 1.00 0.00 C ATOM 350 O GLY A 29 -11.724 4.128 -2.403 1.00 0.00 O ATOM 0 H GLY A 29 -8.086 4.114 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.377 5.614 -3.349 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.734 5.311 -4.415 1.00 0.00 H new ATOM 354 N GLN A 30 -9.813 2.943 -2.326 1.00 0.00 N ATOM 355 CA GLN A 30 -10.302 2.012 -1.315 1.00 0.00 C ATOM 356 C GLN A 30 -9.861 2.443 0.080 1.00 0.00 C ATOM 357 O GLN A 30 -9.001 3.312 0.229 1.00 0.00 O ATOM 358 CB GLN A 30 -9.800 0.598 -1.608 1.00 0.00 C ATOM 359 CG GLN A 30 -10.664 -0.161 -2.603 1.00 0.00 C ATOM 360 CD GLN A 30 -12.030 -0.507 -2.045 1.00 0.00 C ATOM 361 OE1 GLN A 30 -13.056 -0.223 -2.663 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.050 -1.125 -0.870 1.00 0.00 N ATOM 0 H GLN A 30 -8.857 2.767 -2.634 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.391 2.017 -1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.782 0.655 -1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.756 0.036 -0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.786 0.439 -3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -10.153 -1.078 -2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.175 -1.341 -0.393 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.940 -1.384 -0.445 1.00 0.00 H new ATOM 371 N HIS A 31 -10.454 1.829 1.098 1.00 0.00 N ATOM 372 CA HIS A 31 -10.122 2.149 2.482 1.00 0.00 C ATOM 373 C HIS A 31 -9.728 0.891 3.251 1.00 0.00 C ATOM 374 O HIS A 31 -10.266 -0.190 3.010 1.00 0.00 O ATOM 375 CB HIS A 31 -11.306 2.830 3.169 1.00 0.00 C ATOM 376 CG HIS A 31 -11.787 4.057 2.456 1.00 0.00 C ATOM 377 ND1 HIS A 31 -13.081 4.524 2.551 1.00 0.00 N ATOM 378 CD2 HIS A 31 -11.138 4.916 1.636 1.00 0.00 C ATOM 379 CE1 HIS A 31 -13.207 5.615 1.817 1.00 0.00 C ATOM 380 NE2 HIS A 31 -12.042 5.875 1.252 1.00 0.00 N ATOM 0 H HIS A 31 -11.167 1.107 0.991 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.273 2.832 2.477 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.129 2.119 3.247 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.020 3.099 4.186 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.101 4.858 1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.110 6.196 1.699 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.846 6.660 0.631 1.00 0.00 H new ATOM 389 N TYR A 32 -8.786 1.040 4.175 1.00 0.00 N ATOM 390 CA TYR A 32 -8.317 -0.085 4.976 1.00 0.00 C ATOM 391 C TYR A 32 -7.811 0.389 6.336 1.00 0.00 C ATOM 392 O TYR A 32 -6.893 1.206 6.419 1.00 0.00 O ATOM 393 CB TYR A 32 -7.207 -0.836 4.240 1.00 0.00 C ATOM 394 CG TYR A 32 -7.538 -1.141 2.796 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.492 -0.146 1.827 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.894 -2.424 2.400 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.794 -0.420 0.507 1.00 0.00 C ATOM 398 CE2 TYR A 32 -8.196 -2.708 1.082 1.00 0.00 C ATOM 399 CZ TYR A 32 -8.145 -1.702 0.140 1.00 0.00 C ATOM 400 OH TYR A 32 -8.445 -1.979 -1.174 1.00 0.00 O ATOM 0 H TYR A 32 -8.332 1.928 4.388 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.158 -0.760 5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.292 -0.244 4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.003 -1.771 4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.215 0.859 2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.935 -3.214 3.136 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.755 0.365 -0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.470 -3.711 0.791 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.671 -2.928 -1.265 1.00 0.00 H new ATOM 410 N HIS A 33 -8.415 -0.132 7.399 1.00 0.00 N ATOM 411 CA HIS A 33 -8.025 0.235 8.756 1.00 0.00 C ATOM 412 C HIS A 33 -6.601 -0.223 9.055 1.00 0.00 C ATOM 413 O HIS A 33 -6.055 -1.079 8.361 1.00 0.00 O ATOM 414 CB HIS A 33 -8.993 -0.375 9.770 1.00 0.00 C ATOM 415 CG HIS A 33 -10.433 -0.101 9.463 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.312 -1.077 9.043 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.147 1.048 9.519 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.504 -0.540 8.852 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.431 0.748 9.134 1.00 0.00 N ATOM 0 H HIS A 33 -9.176 -0.809 7.347 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.063 1.321 8.837 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.837 -1.453 9.806 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.761 0.014 10.761 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.776 2.019 9.812 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.388 -1.065 8.521 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.203 1.412 9.075 1.00 0.00 H new ATOM 427 N GLY A 34 -6.004 0.354 10.093 1.00 0.00 N ATOM 428 CA GLY A 34 -4.649 -0.007 10.465 1.00 0.00 C ATOM 429 C GLY A 34 -4.571 -1.374 11.116 1.00 0.00 C ATOM 430 O GLY A 34 -3.577 -2.084 10.967 1.00 0.00 O ATOM 0 H GLY A 34 -6.435 1.066 10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.016 0.006 9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.252 0.742 11.151 1.00 0.00 H new ATOM 434 N MET A 35 -5.622 -1.743 11.841 1.00 0.00 N ATOM 435 CA MET A 35 -5.668 -3.034 12.517 1.00 0.00 C ATOM 436 C MET A 35 -5.992 -4.153 11.532 1.00 0.00 C ATOM 437 O MET A 35 -5.609 -5.305 11.737 1.00 0.00 O ATOM 438 CB MET A 35 -6.708 -3.010 13.639 1.00 0.00 C ATOM 439 CG MET A 35 -8.122 -2.738 13.151 1.00 0.00 C ATOM 440 SD MET A 35 -9.379 -3.416 14.251 1.00 0.00 S ATOM 441 CE MET A 35 -9.082 -5.172 14.063 1.00 0.00 C ATOM 0 H MET A 35 -6.453 -1.167 11.975 1.00 0.00 H new ATOM 0 HA MET A 35 -4.685 -3.226 12.947 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.690 -3.967 14.160 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.430 -2.246 14.365 1.00 0.00 H new ATOM 0 HG2 MET A 35 -8.269 -1.662 13.057 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.247 -3.165 12.156 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.010 -5.670 13.781 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.333 -5.333 13.288 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.722 -5.583 15.006 1.00 0.00 H new ATOM 451 N CYS A 36 -6.699 -3.806 10.462 1.00 0.00 N ATOM 452 CA CYS A 36 -7.075 -4.781 9.445 1.00 0.00 C ATOM 453 C CYS A 36 -5.858 -5.223 8.639 1.00 0.00 C ATOM 454 O CYS A 36 -5.843 -6.312 8.061 1.00 0.00 O ATOM 455 CB CYS A 36 -8.133 -4.191 8.510 1.00 0.00 C ATOM 456 SG CYS A 36 -9.848 -4.474 9.054 1.00 0.00 S ATOM 0 H CYS A 36 -7.023 -2.857 10.277 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.491 -5.653 9.949 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.964 -3.118 8.419 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.003 -4.619 7.516 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.669 -3.952 8.191 1.00 0.00 H new ATOM 461 N LEU A 37 -4.838 -4.373 8.604 1.00 0.00 N ATOM 462 CA LEU A 37 -3.614 -4.676 7.869 1.00 0.00 C ATOM 463 C LEU A 37 -2.399 -4.627 8.790 1.00 0.00 C ATOM 464 O LEU A 37 -1.297 -5.012 8.401 1.00 0.00 O ATOM 465 CB LEU A 37 -3.432 -3.689 6.714 1.00 0.00 C ATOM 466 CG LEU A 37 -4.167 -4.032 5.417 1.00 0.00 C ATOM 467 CD1 LEU A 37 -5.612 -3.562 5.482 1.00 0.00 C ATOM 468 CD2 LEU A 37 -3.456 -3.413 4.222 1.00 0.00 C ATOM 0 H LEU A 37 -4.834 -3.469 9.076 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.702 -5.685 7.467 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.764 -2.705 7.047 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.367 -3.609 6.495 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.164 -5.115 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.119 -3.815 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.117 -4.052 6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.637 -2.482 5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.992 -3.667 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.428 -2.329 4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.438 -3.799 4.164 1.00 0.00 H new ATOM 480 N ASP A 38 -2.610 -4.154 10.013 1.00 0.00 N ATOM 481 CA ASP A 38 -1.533 -4.058 10.992 1.00 0.00 C ATOM 482 C ASP A 38 -0.550 -2.955 10.612 1.00 0.00 C ATOM 483 O ASP A 38 0.664 -3.124 10.731 1.00 0.00 O ATOM 484 CB ASP A 38 -0.799 -5.395 11.107 1.00 0.00 C ATOM 485 CG ASP A 38 0.015 -5.501 12.382 1.00 0.00 C ATOM 486 OD1 ASP A 38 -0.309 -4.786 13.353 1.00 0.00 O ATOM 487 OD2 ASP A 38 0.976 -6.298 12.408 1.00 0.00 O ATOM 0 H ASP A 38 -3.517 -3.831 10.350 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.974 -3.810 11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.524 -6.208 11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.140 -5.520 10.247 1.00 0.00 H new ATOM 492 N ILE A 39 -1.082 -1.828 10.153 1.00 0.00 N ATOM 493 CA ILE A 39 -0.251 -0.698 9.755 1.00 0.00 C ATOM 494 C ILE A 39 -0.249 0.387 10.826 1.00 0.00 C ATOM 495 O ILE A 39 -1.276 0.663 11.446 1.00 0.00 O ATOM 496 CB ILE A 39 -0.730 -0.088 8.424 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.698 -1.141 7.315 1.00 0.00 C ATOM 498 CG2 ILE A 39 0.131 1.109 8.050 1.00 0.00 C ATOM 499 CD1 ILE A 39 -1.172 -0.623 5.975 1.00 0.00 C ATOM 0 H ILE A 39 -2.085 -1.672 10.047 1.00 0.00 H new ATOM 0 HA ILE A 39 0.761 -1.081 9.627 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.758 0.253 8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.320 -1.516 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.320 -1.986 7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.220 1.529 7.107 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.062 1.865 8.832 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.168 0.792 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.122 -1.424 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.201 -0.274 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.535 0.203 5.658 1.00 0.00 H new ATOM 511 N ALA A 40 0.911 1.000 11.038 1.00 0.00 N ATOM 512 CA ALA A 40 1.046 2.057 12.032 1.00 0.00 C ATOM 513 C ALA A 40 0.754 3.424 11.422 1.00 0.00 C ATOM 514 O ALA A 40 1.464 3.880 10.526 1.00 0.00 O ATOM 515 CB ALA A 40 2.441 2.036 12.639 1.00 0.00 C ATOM 0 H ALA A 40 1.771 0.782 10.534 1.00 0.00 H new ATOM 0 HA ALA A 40 0.316 1.876 12.821 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.527 2.831 13.380 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.615 1.073 13.119 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.182 2.189 11.854 1.00 0.00 H new ATOM 521 N VAL A 41 -0.297 4.073 11.913 1.00 0.00 N ATOM 522 CA VAL A 41 -0.684 5.388 11.417 1.00 0.00 C ATOM 523 C VAL A 41 0.456 6.390 11.568 1.00 0.00 C ATOM 524 O VAL A 41 0.588 7.046 12.602 1.00 0.00 O ATOM 525 CB VAL A 41 -1.925 5.924 12.155 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.317 7.292 11.617 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.081 4.943 12.035 1.00 0.00 C ATOM 0 H VAL A 41 -0.896 3.709 12.654 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.922 5.270 10.360 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.679 6.033 13.211 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.196 7.655 12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.492 7.990 11.761 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.545 7.213 10.554 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.949 5.338 12.562 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.329 4.800 10.983 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.794 3.987 12.473 1.00 0.00 H new ATOM 537 N THR A 42 1.278 6.503 10.530 1.00 0.00 N ATOM 538 CA THR A 42 2.408 7.424 10.547 1.00 0.00 C ATOM 539 C THR A 42 2.087 8.703 9.782 1.00 0.00 C ATOM 540 O THR A 42 1.316 8.704 8.823 1.00 0.00 O ATOM 541 CB THR A 42 3.668 6.779 9.940 1.00 0.00 C ATOM 542 OG1 THR A 42 4.611 7.793 9.577 1.00 0.00 O ATOM 543 CG2 THR A 42 3.314 5.947 8.716 1.00 0.00 C ATOM 0 H THR A 42 1.183 5.968 9.667 1.00 0.00 H new ATOM 0 HA THR A 42 2.601 7.668 11.592 1.00 0.00 H new ATOM 0 HB THR A 42 4.111 6.123 10.690 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.410 7.375 9.193 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.220 5.501 8.305 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.619 5.158 9.001 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.850 6.585 7.964 1.00 0.00 H new ATOM 551 N PRO A 43 2.691 9.820 10.215 1.00 0.00 N ATOM 552 CA PRO A 43 2.485 11.126 9.583 1.00 0.00 C ATOM 553 C PRO A 43 3.114 11.206 8.196 1.00 0.00 C ATOM 554 O PRO A 43 3.116 12.263 7.564 1.00 0.00 O ATOM 555 CB PRO A 43 3.179 12.097 10.542 1.00 0.00 C ATOM 556 CG PRO A 43 4.207 11.273 11.236 1.00 0.00 C ATOM 557 CD PRO A 43 3.622 9.892 11.353 1.00 0.00 C ATOM 0 HA PRO A 43 1.428 11.341 9.427 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.635 12.928 10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 43 2.471 12.527 11.251 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.139 11.255 10.671 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.438 11.684 12.219 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.392 9.123 11.292 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.107 9.753 12.303 1.00 0.00 H new ATOM 565 N LEU A 44 3.646 10.082 7.728 1.00 0.00 N ATOM 566 CA LEU A 44 4.279 10.024 6.415 1.00 0.00 C ATOM 567 C LEU A 44 3.361 9.354 5.398 1.00 0.00 C ATOM 568 O LEU A 44 3.044 9.929 4.356 1.00 0.00 O ATOM 569 CB LEU A 44 5.605 9.267 6.499 1.00 0.00 C ATOM 570 CG LEU A 44 6.572 9.477 5.333 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.903 8.797 5.614 1.00 0.00 C ATOM 572 CD2 LEU A 44 5.968 8.953 4.038 1.00 0.00 C ATOM 0 H LEU A 44 3.652 9.199 8.238 1.00 0.00 H new ATOM 0 HA LEU A 44 4.472 11.045 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.109 9.559 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.388 8.202 6.578 1.00 0.00 H new ATOM 0 HG LEU A 44 6.749 10.547 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.578 8.957 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.343 9.218 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.743 7.728 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.670 9.111 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.761 7.888 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.040 9.485 3.828 1.00 0.00 H new ATOM 584 N LYS A 45 2.934 8.134 5.708 1.00 0.00 N ATOM 585 CA LYS A 45 2.049 7.385 4.824 1.00 0.00 C ATOM 586 C LYS A 45 0.776 8.173 4.533 1.00 0.00 C ATOM 587 O LYS A 45 0.414 8.381 3.375 1.00 0.00 O ATOM 588 CB LYS A 45 1.695 6.034 5.449 1.00 0.00 C ATOM 589 CG LYS A 45 2.845 5.042 5.448 1.00 0.00 C ATOM 590 CD LYS A 45 2.514 3.803 6.262 1.00 0.00 C ATOM 591 CE LYS A 45 3.772 3.123 6.780 1.00 0.00 C ATOM 592 NZ LYS A 45 3.622 1.643 6.831 1.00 0.00 N ATOM 0 H LYS A 45 3.187 7.643 6.566 1.00 0.00 H new ATOM 0 HA LYS A 45 2.573 7.217 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.365 6.194 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.854 5.602 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.077 4.753 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.737 5.518 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.876 4.078 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.948 3.103 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.614 3.381 6.138 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.004 3.499 7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.543 1.208 7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.941 1.389 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.278 1.297 5.913 1.00 0.00 H new ATOM 606 N ARG A 46 0.101 8.609 5.592 1.00 0.00 N ATOM 607 CA ARG A 46 -1.131 9.375 5.450 1.00 0.00 C ATOM 608 C ARG A 46 -1.034 10.350 4.281 1.00 0.00 C ATOM 609 O ARG A 46 -1.942 10.437 3.454 1.00 0.00 O ATOM 610 CB ARG A 46 -1.435 10.137 6.740 1.00 0.00 C ATOM 611 CG ARG A 46 -1.750 9.234 7.922 1.00 0.00 C ATOM 612 CD ARG A 46 -2.313 10.025 9.093 1.00 0.00 C ATOM 613 NE ARG A 46 -3.576 10.678 8.756 1.00 0.00 N ATOM 614 CZ ARG A 46 -4.490 11.018 9.657 1.00 0.00 C ATOM 615 NH1 ARG A 46 -4.283 10.769 10.943 1.00 0.00 N ATOM 616 NH2 ARG A 46 -5.614 11.609 9.273 1.00 0.00 N ATOM 0 H ARG A 46 0.387 8.445 6.557 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.943 8.675 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.580 10.765 6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.280 10.803 6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.467 8.472 7.618 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.845 8.713 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.465 9.358 9.941 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.588 10.777 9.405 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.766 10.884 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.420 10.315 11.242 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.987 11.031 11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.777 11.803 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.316 11.870 9.966 1.00 0.00 H new ATOM 630 N ALA A 47 0.073 11.083 4.219 1.00 0.00 N ATOM 631 CA ALA A 47 0.290 12.051 3.151 1.00 0.00 C ATOM 632 C ALA A 47 0.706 11.358 1.858 1.00 0.00 C ATOM 633 O ALA A 47 1.889 11.115 1.625 1.00 0.00 O ATOM 634 CB ALA A 47 1.340 13.070 3.567 1.00 0.00 C ATOM 0 H ALA A 47 0.834 11.025 4.896 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.651 12.570 2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.492 13.786 2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.003 13.596 4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.279 12.559 3.780 1.00 0.00 H new ATOM 640 N GLY A 48 -0.276 11.041 1.019 1.00 0.00 N ATOM 641 CA GLY A 48 0.008 10.378 -0.240 1.00 0.00 C ATOM 642 C GLY A 48 0.173 8.879 -0.082 1.00 0.00 C ATOM 643 O GLY A 48 1.156 8.304 -0.548 1.00 0.00 O ATOM 0 H GLY A 48 -1.263 11.232 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.800 10.579 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.917 10.797 -0.671 1.00 0.00 H new ATOM 647 N TRP A 49 -0.790 8.247 0.579 1.00 0.00 N ATOM 648 CA TRP A 49 -0.746 6.806 0.799 1.00 0.00 C ATOM 649 C TRP A 49 -1.131 6.050 -0.468 1.00 0.00 C ATOM 650 O TRP A 49 -1.663 6.633 -1.412 1.00 0.00 O ATOM 651 CB TRP A 49 -1.681 6.415 1.944 1.00 0.00 C ATOM 652 CG TRP A 49 -1.651 4.951 2.263 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.598 4.243 2.767 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.722 4.016 2.096 1.00 0.00 C ATOM 655 NE1 TRP A 49 -0.950 2.924 2.923 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.248 2.759 2.520 1.00 0.00 C ATOM 657 CE3 TRP A 49 -4.036 4.118 1.632 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.042 1.616 2.491 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.823 2.982 1.604 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.325 1.745 2.032 1.00 0.00 C ATOM 0 H TRP A 49 -1.610 8.709 0.972 1.00 0.00 H new ATOM 0 HA TRP A 49 0.276 6.536 1.065 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.407 6.979 2.836 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.700 6.702 1.685 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.369 4.659 3.008 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.343 2.187 3.281 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.430 5.068 1.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.659 0.661 2.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.840 3.050 1.246 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.966 0.876 1.999 1.00 0.00 H new ATOM 671 N GLN A 50 -0.858 4.749 -0.482 1.00 0.00 N ATOM 672 CA GLN A 50 -1.176 3.914 -1.634 1.00 0.00 C ATOM 673 C GLN A 50 -1.388 2.463 -1.214 1.00 0.00 C ATOM 674 O GLN A 50 -0.452 1.787 -0.786 1.00 0.00 O ATOM 675 CB GLN A 50 -0.059 3.998 -2.676 1.00 0.00 C ATOM 676 CG GLN A 50 -0.202 5.175 -3.628 1.00 0.00 C ATOM 677 CD GLN A 50 0.466 4.927 -4.966 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.430 5.603 -5.326 1.00 0.00 O ATOM 679 NE2 GLN A 50 -0.043 3.953 -5.711 1.00 0.00 N ATOM 0 H GLN A 50 -0.417 4.251 0.291 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.102 4.284 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.900 4.071 -2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.042 3.074 -3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.260 5.382 -3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.231 6.064 -3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.843 3.418 -5.373 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.366 3.740 -6.621 1.00 0.00 H new ATOM 688 N CYS A 51 -2.623 1.991 -1.339 1.00 0.00 N ATOM 689 CA CYS A 51 -2.959 0.620 -0.972 1.00 0.00 C ATOM 690 C CYS A 51 -1.997 -0.369 -1.624 1.00 0.00 C ATOM 691 O CYS A 51 -1.387 -0.091 -2.657 1.00 0.00 O ATOM 692 CB CYS A 51 -4.397 0.297 -1.384 1.00 0.00 C ATOM 693 SG CYS A 51 -4.570 -0.247 -3.114 1.00 0.00 S ATOM 0 H CYS A 51 -3.409 2.538 -1.692 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.869 0.528 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.785 -0.483 -0.729 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.015 1.181 -1.229 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.680 0.218 -3.606 1.00 0.00 H new ATOM 698 N PRO A 52 -1.857 -1.552 -1.008 1.00 0.00 N ATOM 699 CA PRO A 52 -0.972 -2.607 -1.510 1.00 0.00 C ATOM 700 C PRO A 52 -1.489 -3.230 -2.803 1.00 0.00 C ATOM 701 O PRO A 52 -0.818 -4.063 -3.411 1.00 0.00 O ATOM 702 CB PRO A 52 -0.974 -3.640 -0.381 1.00 0.00 C ATOM 703 CG PRO A 52 -2.267 -3.424 0.328 1.00 0.00 C ATOM 704 CD PRO A 52 -2.553 -1.951 0.227 1.00 0.00 C ATOM 0 HA PRO A 52 0.019 -2.225 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.902 -4.655 -0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.126 -3.496 0.289 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.065 -4.009 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.198 -3.738 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.623 -1.753 0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.176 -1.408 1.094 1.00 0.00 H new ATOM 712 N GLU A 53 -2.685 -2.821 -3.215 1.00 0.00 N ATOM 713 CA GLU A 53 -3.290 -3.341 -4.436 1.00 0.00 C ATOM 714 C GLU A 53 -3.017 -2.413 -5.616 1.00 0.00 C ATOM 715 O GLU A 53 -3.159 -2.806 -6.775 1.00 0.00 O ATOM 716 CB GLU A 53 -4.799 -3.515 -4.249 1.00 0.00 C ATOM 717 CG GLU A 53 -5.166 -4.542 -3.191 1.00 0.00 C ATOM 718 CD GLU A 53 -6.587 -5.052 -3.342 1.00 0.00 C ATOM 719 OE1 GLU A 53 -6.919 -5.567 -4.430 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.365 -4.935 -2.373 1.00 0.00 O ATOM 0 H GLU A 53 -3.253 -2.132 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.842 -4.312 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.236 -2.554 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.243 -3.810 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.474 -5.382 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.046 -4.099 -2.202 1.00 0.00 H new ATOM 727 N CYS A 54 -2.623 -1.181 -5.314 1.00 0.00 N ATOM 728 CA CYS A 54 -2.331 -0.196 -6.348 1.00 0.00 C ATOM 729 C CYS A 54 -0.858 0.204 -6.318 1.00 0.00 C ATOM 730 O CYS A 54 -0.304 0.654 -7.321 1.00 0.00 O ATOM 731 CB CYS A 54 -3.210 1.043 -6.166 1.00 0.00 C ATOM 732 SG CYS A 54 -4.970 0.768 -6.549 1.00 0.00 S ATOM 0 H CYS A 54 -2.498 -0.841 -4.361 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.548 -0.648 -7.316 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.123 1.389 -5.136 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.831 1.841 -6.804 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.689 1.027 -5.497 1.00 0.00 H new ATOM 737 N LYS A 55 -0.229 0.035 -5.160 1.00 0.00 N ATOM 738 CA LYS A 55 1.179 0.376 -4.997 1.00 0.00 C ATOM 739 C LYS A 55 2.059 -0.517 -5.866 1.00 0.00 C ATOM 740 O LYS A 55 1.799 -1.712 -6.009 1.00 0.00 O ATOM 741 CB LYS A 55 1.591 0.242 -3.529 1.00 0.00 C ATOM 742 CG LYS A 55 3.095 0.229 -3.317 1.00 0.00 C ATOM 743 CD LYS A 55 3.452 0.343 -1.845 1.00 0.00 C ATOM 744 CE LYS A 55 3.568 -1.026 -1.192 1.00 0.00 C ATOM 745 NZ LYS A 55 2.251 -1.522 -0.705 1.00 0.00 N ATOM 0 H LYS A 55 -0.673 -0.336 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 55 1.316 1.410 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.160 1.068 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.168 -0.677 -3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.513 -0.692 -3.723 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.548 1.054 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.395 0.879 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.692 0.930 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.981 -1.736 -1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.267 -0.972 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.264 -1.580 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.501 -0.867 -1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.067 -2.465 -1.102 1.00 0.00 H new ATOM 759 N VAL A 56 3.103 0.069 -6.443 1.00 0.00 N ATOM 760 CA VAL A 56 4.023 -0.674 -7.295 1.00 0.00 C ATOM 761 C VAL A 56 5.457 -0.193 -7.107 1.00 0.00 C ATOM 762 O VAL A 56 5.711 0.770 -6.382 1.00 0.00 O ATOM 763 CB VAL A 56 3.640 -0.544 -8.782 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.181 -0.919 -8.992 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.913 0.867 -9.280 1.00 0.00 C ATOM 0 H VAL A 56 3.333 1.057 -6.336 1.00 0.00 H new ATOM 0 HA VAL A 56 3.953 -1.721 -6.999 1.00 0.00 H new ATOM 0 HB VAL A 56 4.255 -1.234 -9.360 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.929 -0.821 -10.048 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.021 -1.949 -8.675 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.547 -0.255 -8.404 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.637 0.941 -10.332 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.325 1.578 -8.699 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.973 1.094 -9.166 1.00 0.00 H new ATOM 775 N CYS A 57 6.393 -0.868 -7.765 1.00 0.00 N ATOM 776 CA CYS A 57 7.803 -0.511 -7.671 1.00 0.00 C ATOM 777 C CYS A 57 8.052 0.880 -8.250 1.00 0.00 C ATOM 778 O CYS A 57 7.313 1.341 -9.119 1.00 0.00 O ATOM 779 CB CYS A 57 8.662 -1.541 -8.406 1.00 0.00 C ATOM 780 SG CYS A 57 10.456 -1.268 -8.242 1.00 0.00 S ATOM 0 H CYS A 57 6.200 -1.666 -8.370 1.00 0.00 H new ATOM 0 HA CYS A 57 8.080 -0.502 -6.617 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.421 -2.535 -8.029 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.399 -1.529 -9.464 1.00 0.00 H new ATOM 0 HG CYS A 57 11.096 -2.300 -8.705 1.00 0.00 H new ATOM 785 N GLN A 58 9.096 1.540 -7.760 1.00 0.00 N ATOM 786 CA GLN A 58 9.441 2.878 -8.228 1.00 0.00 C ATOM 787 C GLN A 58 10.698 2.845 -9.091 1.00 0.00 C ATOM 788 O GLN A 58 10.946 3.758 -9.877 1.00 0.00 O ATOM 789 CB GLN A 58 9.647 3.819 -7.040 1.00 0.00 C ATOM 790 CG GLN A 58 8.422 3.956 -6.151 1.00 0.00 C ATOM 791 CD GLN A 58 7.368 4.869 -6.747 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.619 6.050 -6.989 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.181 4.325 -6.987 1.00 0.00 N ATOM 0 H GLN A 58 9.717 1.171 -7.040 1.00 0.00 H new ATOM 0 HA GLN A 58 8.615 3.248 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.482 3.456 -6.440 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.927 4.804 -7.412 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.989 2.970 -5.981 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.725 4.343 -5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.017 3.342 -6.771 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.433 4.890 -7.388 1.00 0.00 H new ATOM 802 N ASN A 59 11.487 1.787 -8.938 1.00 0.00 N ATOM 803 CA ASN A 59 12.720 1.636 -9.703 1.00 0.00 C ATOM 804 C ASN A 59 12.424 1.167 -11.124 1.00 0.00 C ATOM 805 O ASN A 59 12.892 1.761 -12.096 1.00 0.00 O ATOM 806 CB ASN A 59 13.655 0.643 -9.011 1.00 0.00 C ATOM 807 CG ASN A 59 14.060 1.100 -7.623 1.00 0.00 C ATOM 808 OD1 ASN A 59 14.723 2.125 -7.463 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.661 0.339 -6.610 1.00 0.00 N ATOM 0 H ASN A 59 11.295 1.022 -8.292 1.00 0.00 H new ATOM 0 HA ASN A 59 13.208 2.609 -9.755 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.163 -0.327 -8.942 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.548 0.505 -9.620 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.903 0.596 -5.653 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.113 -0.502 -6.789 1.00 0.00 H new ATOM 816 N CYS A 60 11.642 0.098 -11.238 1.00 0.00 N ATOM 817 CA CYS A 60 11.283 -0.451 -12.540 1.00 0.00 C ATOM 818 C CYS A 60 9.862 -0.049 -12.926 1.00 0.00 C ATOM 819 O CYS A 60 9.545 0.096 -14.107 1.00 0.00 O ATOM 820 CB CYS A 60 11.407 -1.976 -12.525 1.00 0.00 C ATOM 821 SG CYS A 60 10.088 -2.821 -11.595 1.00 0.00 S ATOM 0 H CYS A 60 11.245 -0.405 -10.444 1.00 0.00 H new ATOM 0 HA CYS A 60 11.971 -0.044 -13.281 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.403 -2.340 -13.552 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.371 -2.247 -12.095 1.00 0.00 H new ATOM 0 HG CYS A 60 10.103 -2.419 -10.359 1.00 0.00 H new ATOM 826 N LYS A 61 9.010 0.129 -11.922 1.00 0.00 N ATOM 827 CA LYS A 61 7.624 0.516 -12.154 1.00 0.00 C ATOM 828 C LYS A 61 6.857 -0.602 -12.853 1.00 0.00 C ATOM 829 O LYS A 61 6.144 -0.363 -13.827 1.00 0.00 O ATOM 830 CB LYS A 61 7.562 1.793 -12.995 1.00 0.00 C ATOM 831 CG LYS A 61 8.362 2.945 -12.411 1.00 0.00 C ATOM 832 CD LYS A 61 7.505 3.820 -11.512 1.00 0.00 C ATOM 833 CE LYS A 61 7.967 5.269 -11.540 1.00 0.00 C ATOM 834 NZ LYS A 61 7.098 6.144 -10.705 1.00 0.00 N ATOM 0 H LYS A 61 9.256 0.011 -10.939 1.00 0.00 H new ATOM 0 HA LYS A 61 7.159 0.703 -11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.931 1.576 -13.997 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.521 2.100 -13.098 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.205 2.552 -11.842 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.776 3.548 -13.219 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.464 3.763 -11.831 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.546 3.444 -10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.995 5.330 -11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.966 5.631 -12.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.446 7.123 -10.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.122 6.106 -11.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.119 5.814 -9.719 1.00 0.00 H new ATOM 848 N GLN A 62 7.007 -1.822 -12.347 1.00 0.00 N ATOM 849 CA GLN A 62 6.327 -2.977 -12.923 1.00 0.00 C ATOM 850 C GLN A 62 5.765 -3.879 -11.830 1.00 0.00 C ATOM 851 O GLN A 62 6.505 -4.615 -11.177 1.00 0.00 O ATOM 852 CB GLN A 62 7.287 -3.770 -13.811 1.00 0.00 C ATOM 853 CG GLN A 62 7.792 -2.987 -15.013 1.00 0.00 C ATOM 854 CD GLN A 62 8.510 -3.862 -16.020 1.00 0.00 C ATOM 855 OE1 GLN A 62 9.692 -3.663 -16.302 1.00 0.00 O ATOM 856 NE2 GLN A 62 7.798 -4.839 -16.570 1.00 0.00 N ATOM 0 H GLN A 62 7.593 -2.036 -11.540 1.00 0.00 H new ATOM 0 HA GLN A 62 5.498 -2.613 -13.530 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.140 -4.092 -13.213 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.784 -4.672 -14.160 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.951 -2.494 -15.500 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.467 -2.202 -14.673 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.821 -4.968 -16.307 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.228 -5.460 -17.255 1.00 0.00 H new ATOM 865 N SER A 63 4.452 -3.816 -11.635 1.00 0.00 N ATOM 866 CA SER A 63 3.790 -4.625 -10.617 1.00 0.00 C ATOM 867 C SER A 63 3.698 -6.083 -11.057 1.00 0.00 C ATOM 868 O SER A 63 3.473 -6.376 -12.230 1.00 0.00 O ATOM 869 CB SER A 63 2.391 -4.077 -10.330 1.00 0.00 C ATOM 870 OG SER A 63 1.467 -4.495 -11.320 1.00 0.00 O ATOM 0 H SER A 63 3.825 -3.213 -12.168 1.00 0.00 H new ATOM 0 HA SER A 63 4.385 -4.576 -9.705 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.058 -4.418 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.424 -2.988 -10.295 1.00 0.00 H new ATOM 0 HG SER A 63 0.580 -4.133 -11.113 1.00 0.00 H new ATOM 876 N GLY A 64 3.874 -6.994 -10.105 1.00 0.00 N ATOM 877 CA GLY A 64 3.808 -8.411 -10.413 1.00 0.00 C ATOM 878 C GLY A 64 4.481 -9.266 -9.357 1.00 0.00 C ATOM 879 O GLY A 64 3.825 -10.054 -8.677 1.00 0.00 O ATOM 0 H GLY A 64 4.061 -6.776 -9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.764 -8.711 -10.508 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.281 -8.592 -11.378 1.00 0.00 H new ATOM 883 N GLU A 65 5.794 -9.111 -9.222 1.00 0.00 N ATOM 884 CA GLU A 65 6.556 -9.878 -8.243 1.00 0.00 C ATOM 885 C GLU A 65 6.333 -9.336 -6.834 1.00 0.00 C ATOM 886 O GLU A 65 7.283 -8.988 -6.134 1.00 0.00 O ATOM 887 CB GLU A 65 8.047 -9.844 -8.584 1.00 0.00 C ATOM 888 CG GLU A 65 8.460 -10.883 -9.613 1.00 0.00 C ATOM 889 CD GLU A 65 8.345 -12.301 -9.089 1.00 0.00 C ATOM 890 OE1 GLU A 65 8.302 -12.475 -7.853 1.00 0.00 O ATOM 891 OE2 GLU A 65 8.298 -13.236 -9.915 1.00 0.00 O ATOM 0 H GLU A 65 6.352 -8.462 -9.777 1.00 0.00 H new ATOM 0 HA GLU A 65 6.206 -10.910 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.303 -8.853 -8.958 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.623 -9.999 -7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.838 -10.776 -10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.489 -10.696 -9.920 1.00 0.00 H new ATOM 898 N ASP A 66 5.070 -9.267 -6.426 1.00 0.00 N ATOM 899 CA ASP A 66 4.721 -8.768 -5.101 1.00 0.00 C ATOM 900 C ASP A 66 5.526 -9.485 -4.021 1.00 0.00 C ATOM 901 O ASP A 66 6.086 -8.851 -3.128 1.00 0.00 O ATOM 902 CB ASP A 66 3.224 -8.948 -4.844 1.00 0.00 C ATOM 903 CG ASP A 66 2.378 -8.533 -6.031 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.168 -7.315 -6.213 1.00 0.00 O ATOM 905 OD2 ASP A 66 1.927 -9.425 -6.779 1.00 0.00 O ATOM 0 H ASP A 66 4.271 -9.550 -6.994 1.00 0.00 H new ATOM 0 HA ASP A 66 4.963 -7.706 -5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.022 -9.992 -4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.935 -8.361 -3.973 1.00 0.00 H new ATOM 910 N SER A 67 5.576 -10.810 -4.110 1.00 0.00 N ATOM 911 CA SER A 67 6.308 -11.613 -3.137 1.00 0.00 C ATOM 912 C SER A 67 7.710 -11.053 -2.914 1.00 0.00 C ATOM 913 O SER A 67 8.128 -10.830 -1.778 1.00 0.00 O ATOM 914 CB SER A 67 6.397 -13.066 -3.608 1.00 0.00 C ATOM 915 OG SER A 67 5.117 -13.674 -3.630 1.00 0.00 O ATOM 0 H SER A 67 5.119 -11.350 -4.845 1.00 0.00 H new ATOM 0 HA SER A 67 5.766 -11.576 -2.192 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.838 -13.102 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.058 -13.626 -2.947 1.00 0.00 H new ATOM 0 HG SER A 67 5.201 -14.601 -3.936 1.00 0.00 H new ATOM 921 N LYS A 68 8.431 -10.827 -4.007 1.00 0.00 N ATOM 922 CA LYS A 68 9.785 -10.292 -3.934 1.00 0.00 C ATOM 923 C LYS A 68 9.765 -8.768 -3.871 1.00 0.00 C ATOM 924 O LYS A 68 10.610 -8.102 -4.467 1.00 0.00 O ATOM 925 CB LYS A 68 10.603 -10.752 -5.142 1.00 0.00 C ATOM 926 CG LYS A 68 10.546 -12.251 -5.381 1.00 0.00 C ATOM 927 CD LYS A 68 11.060 -12.616 -6.763 1.00 0.00 C ATOM 928 CE LYS A 68 11.014 -14.118 -6.997 1.00 0.00 C ATOM 929 NZ LYS A 68 9.623 -14.646 -6.933 1.00 0.00 N ATOM 0 H LYS A 68 8.100 -11.006 -4.955 1.00 0.00 H new ATOM 0 HA LYS A 68 10.250 -10.670 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.242 -10.237 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.642 -10.454 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.140 -12.764 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.519 -12.599 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.461 -12.110 -7.520 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.084 -12.260 -6.877 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.445 -14.347 -7.971 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.628 -14.621 -6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.484 -15.351 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.463 -15.092 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.949 -13.865 -7.062 1.00 0.00 H new ATOM 943 N MET A 69 8.795 -8.223 -3.143 1.00 0.00 N ATOM 944 CA MET A 69 8.668 -6.778 -3.000 1.00 0.00 C ATOM 945 C MET A 69 8.717 -6.370 -1.531 1.00 0.00 C ATOM 946 O MET A 69 7.763 -6.589 -0.783 1.00 0.00 O ATOM 947 CB MET A 69 7.361 -6.295 -3.631 1.00 0.00 C ATOM 948 CG MET A 69 7.220 -4.781 -3.654 1.00 0.00 C ATOM 949 SD MET A 69 5.668 -4.239 -4.396 1.00 0.00 S ATOM 950 CE MET A 69 6.274 -3.255 -5.764 1.00 0.00 C ATOM 0 H MET A 69 8.086 -8.760 -2.644 1.00 0.00 H new ATOM 0 HA MET A 69 9.507 -6.312 -3.516 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.298 -6.673 -4.651 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.522 -6.722 -3.081 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.284 -4.398 -2.635 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.053 -4.351 -4.209 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.584 -3.336 -6.604 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.350 -2.212 -5.456 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.257 -3.617 -6.065 1.00 0.00 H new ATOM 960 N LEU A 70 9.834 -5.777 -1.123 1.00 0.00 N ATOM 961 CA LEU A 70 10.008 -5.339 0.258 1.00 0.00 C ATOM 962 C LEU A 70 9.213 -4.066 0.529 1.00 0.00 C ATOM 963 O LEU A 70 9.626 -2.971 0.148 1.00 0.00 O ATOM 964 CB LEU A 70 11.489 -5.103 0.556 1.00 0.00 C ATOM 965 CG LEU A 70 12.325 -6.352 0.839 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.805 -6.057 0.654 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.053 -6.867 2.245 1.00 0.00 C ATOM 0 H LEU A 70 10.633 -5.588 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 70 9.633 -6.125 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.931 -4.579 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.564 -4.437 1.416 1.00 0.00 H new ATOM 0 HG LEU A 70 12.039 -7.127 0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.384 -6.957 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.986 -5.735 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.107 -5.267 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.656 -7.756 2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.311 -6.096 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.997 -7.118 2.342 1.00 0.00 H new ATOM 979 N VAL A 71 8.071 -4.217 1.192 1.00 0.00 N ATOM 980 CA VAL A 71 7.219 -3.079 1.517 1.00 0.00 C ATOM 981 C VAL A 71 7.689 -2.389 2.792 1.00 0.00 C ATOM 982 O VAL A 71 7.519 -2.911 3.894 1.00 0.00 O ATOM 983 CB VAL A 71 5.750 -3.509 1.691 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.908 -2.343 2.186 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.198 -4.059 0.385 1.00 0.00 C ATOM 0 H VAL A 71 7.714 -5.116 1.515 1.00 0.00 H new ATOM 0 HA VAL A 71 7.289 -2.382 0.682 1.00 0.00 H new ATOM 0 HB VAL A 71 5.707 -4.301 2.439 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.873 -2.665 2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.292 -1.999 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.955 -1.528 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.159 -4.358 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.253 -3.290 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.786 -4.924 0.077 1.00 0.00 H new ATOM 995 N CYS A 72 8.282 -1.209 2.636 1.00 0.00 N ATOM 996 CA CYS A 72 8.777 -0.445 3.774 1.00 0.00 C ATOM 997 C CYS A 72 7.713 -0.337 4.862 1.00 0.00 C ATOM 998 O CYS A 72 6.529 -0.563 4.611 1.00 0.00 O ATOM 999 CB CYS A 72 9.209 0.953 3.327 1.00 0.00 C ATOM 1000 SG CYS A 72 10.389 1.763 4.454 1.00 0.00 S ATOM 0 H CYS A 72 8.431 -0.762 1.731 1.00 0.00 H new ATOM 0 HA CYS A 72 9.639 -0.971 4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.659 0.883 2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 72 8.324 1.582 3.232 1.00 0.00 H new ATOM 0 HG CYS A 72 11.212 2.497 3.766 1.00 0.00 H new ATOM 1005 N ASP A 73 8.142 0.010 6.070 1.00 0.00 N ATOM 1006 CA ASP A 73 7.227 0.150 7.196 1.00 0.00 C ATOM 1007 C ASP A 73 6.990 1.621 7.525 1.00 0.00 C ATOM 1008 O ASP A 73 5.896 2.008 7.937 1.00 0.00 O ATOM 1009 CB ASP A 73 7.779 -0.578 8.423 1.00 0.00 C ATOM 1010 CG ASP A 73 7.304 -2.015 8.506 1.00 0.00 C ATOM 1011 OD1 ASP A 73 6.094 -2.228 8.728 1.00 0.00 O ATOM 1012 OD2 ASP A 73 8.143 -2.926 8.349 1.00 0.00 O ATOM 0 H ASP A 73 9.119 0.200 6.295 1.00 0.00 H new ATOM 0 HA ASP A 73 6.274 -0.298 6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.868 -0.560 8.393 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.476 -0.046 9.325 1.00 0.00 H new ATOM 1017 N THR A 74 8.024 2.437 7.342 1.00 0.00 N ATOM 1018 CA THR A 74 7.930 3.864 7.621 1.00 0.00 C ATOM 1019 C THR A 74 7.186 4.594 6.509 1.00 0.00 C ATOM 1020 O THR A 74 6.043 5.017 6.686 1.00 0.00 O ATOM 1021 CB THR A 74 9.324 4.496 7.791 1.00 0.00 C ATOM 1022 OG1 THR A 74 9.973 3.947 8.944 1.00 0.00 O ATOM 1023 CG2 THR A 74 9.219 6.007 7.934 1.00 0.00 C ATOM 0 H THR A 74 8.936 2.133 7.002 1.00 0.00 H new ATOM 0 HA THR A 74 7.376 3.968 8.554 1.00 0.00 H new ATOM 0 HB THR A 74 9.912 4.271 6.901 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.860 4.352 9.044 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.216 6.431 8.053 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.750 6.425 7.043 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.615 6.249 8.809 1.00 0.00 H new ATOM 1031 N CYS A 75 7.840 4.738 5.361 1.00 0.00 N ATOM 1032 CA CYS A 75 7.240 5.417 4.219 1.00 0.00 C ATOM 1033 C CYS A 75 6.298 4.483 3.465 1.00 0.00 C ATOM 1034 O CYS A 75 5.360 4.932 2.805 1.00 0.00 O ATOM 1035 CB CYS A 75 8.330 5.930 3.275 1.00 0.00 C ATOM 1036 SG CYS A 75 9.087 4.637 2.240 1.00 0.00 S ATOM 0 H CYS A 75 8.786 4.393 5.197 1.00 0.00 H new ATOM 0 HA CYS A 75 6.663 6.263 4.592 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.903 6.696 2.627 1.00 0.00 H new ATOM 0 HB3 CYS A 75 9.110 6.411 3.865 1.00 0.00 H new ATOM 0 HG CYS A 75 9.542 3.685 2.999 1.00 0.00 H new ATOM 1041 N ASP A 76 6.554 3.184 3.568 1.00 0.00 N ATOM 1042 CA ASP A 76 5.728 2.186 2.897 1.00 0.00 C ATOM 1043 C ASP A 76 5.876 2.288 1.382 1.00 0.00 C ATOM 1044 O ASP A 76 4.889 2.425 0.659 1.00 0.00 O ATOM 1045 CB ASP A 76 4.260 2.360 3.291 1.00 0.00 C ATOM 1046 CG ASP A 76 3.447 1.101 3.063 1.00 0.00 C ATOM 1047 OD1 ASP A 76 3.380 0.262 3.985 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.877 0.954 1.961 1.00 0.00 O ATOM 0 H ASP A 76 7.327 2.797 4.110 1.00 0.00 H new ATOM 0 HA ASP A 76 6.066 1.199 3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.200 2.643 4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.827 3.178 2.716 1.00 0.00 H new ATOM 1053 N LYS A 77 7.115 2.221 0.908 1.00 0.00 N ATOM 1054 CA LYS A 77 7.394 2.305 -0.521 1.00 0.00 C ATOM 1055 C LYS A 77 7.783 0.941 -1.080 1.00 0.00 C ATOM 1056 O LYS A 77 8.776 0.347 -0.662 1.00 0.00 O ATOM 1057 CB LYS A 77 8.514 3.314 -0.784 1.00 0.00 C ATOM 1058 CG LYS A 77 8.028 4.749 -0.888 1.00 0.00 C ATOM 1059 CD LYS A 77 9.140 5.684 -1.335 1.00 0.00 C ATOM 1060 CE LYS A 77 8.878 7.114 -0.891 1.00 0.00 C ATOM 1061 NZ LYS A 77 7.746 7.729 -1.638 1.00 0.00 N ATOM 0 H LYS A 77 7.943 2.109 1.493 1.00 0.00 H new ATOM 0 HA LYS A 77 6.487 2.639 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.249 3.245 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.025 3.044 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.200 4.803 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.644 5.075 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.090 5.343 -0.925 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.231 5.650 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.659 7.128 0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.778 7.711 -1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.600 8.704 -1.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.966 7.739 -2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.881 7.174 -1.476 1.00 0.00 H new ATOM 1075 N GLY A 78 6.993 0.449 -2.031 1.00 0.00 N ATOM 1076 CA GLY A 78 7.272 -0.842 -2.633 1.00 0.00 C ATOM 1077 C GLY A 78 8.596 -0.862 -3.371 1.00 0.00 C ATOM 1078 O GLY A 78 8.865 0.006 -4.201 1.00 0.00 O ATOM 0 H GLY A 78 6.165 0.922 -2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.280 -1.607 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.470 -1.098 -3.325 1.00 0.00 H new ATOM 1082 N TYR A 79 9.424 -1.856 -3.069 1.00 0.00 N ATOM 1083 CA TYR A 79 10.729 -1.984 -3.707 1.00 0.00 C ATOM 1084 C TYR A 79 11.116 -3.451 -3.867 1.00 0.00 C ATOM 1085 O TYR A 79 11.326 -4.160 -2.882 1.00 0.00 O ATOM 1086 CB TYR A 79 11.794 -1.250 -2.891 1.00 0.00 C ATOM 1087 CG TYR A 79 11.656 0.256 -2.929 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.814 0.957 -4.118 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.367 0.976 -1.777 1.00 0.00 C ATOM 1090 CE1 TYR A 79 11.689 2.333 -4.158 1.00 0.00 C ATOM 1091 CE2 TYR A 79 11.239 2.351 -1.807 1.00 0.00 C ATOM 1092 CZ TYR A 79 11.401 3.025 -3.000 1.00 0.00 C ATOM 1093 OH TYR A 79 11.275 4.395 -3.035 1.00 0.00 O ATOM 0 H TYR A 79 9.215 -2.585 -2.387 1.00 0.00 H new ATOM 0 HA TYR A 79 10.666 -1.534 -4.698 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.741 -1.585 -1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.780 -1.526 -3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.038 0.418 -5.026 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.240 0.452 -0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.816 2.863 -5.090 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.013 2.895 -0.902 1.00 0.00 H new ATOM 0 HH TYR A 79 10.945 4.671 -3.916 1.00 0.00 H new ATOM 1103 N HIS A 80 11.209 -3.899 -5.115 1.00 0.00 N ATOM 1104 CA HIS A 80 11.572 -5.282 -5.405 1.00 0.00 C ATOM 1105 C HIS A 80 12.975 -5.595 -4.892 1.00 0.00 C ATOM 1106 O HIS A 80 13.894 -4.787 -5.032 1.00 0.00 O ATOM 1107 CB HIS A 80 11.497 -5.546 -6.909 1.00 0.00 C ATOM 1108 CG HIS A 80 10.123 -5.368 -7.480 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.878 -4.682 -8.650 1.00 0.00 N ATOM 1110 CD2 HIS A 80 8.918 -5.794 -7.035 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.581 -4.692 -8.900 1.00 0.00 C ATOM 1112 NE2 HIS A 80 7.976 -5.360 -7.935 1.00 0.00 N ATOM 0 H HIS A 80 11.038 -3.325 -5.941 1.00 0.00 H new ATOM 0 HA HIS A 80 10.863 -5.933 -4.893 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.185 -4.874 -7.422 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.836 -6.563 -7.109 1.00 0.00 H new ATOM 0 HD1 HIS A 80 10.587 -4.236 -9.232 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.732 -6.368 -6.139 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.098 -4.232 -9.749 1.00 0.00 H new ATOM 1120 N THR A 81 13.133 -6.772 -4.295 1.00 0.00 N ATOM 1121 CA THR A 81 14.421 -7.191 -3.759 1.00 0.00 C ATOM 1122 C THR A 81 15.528 -7.024 -4.794 1.00 0.00 C ATOM 1123 O THR A 81 16.654 -6.655 -4.460 1.00 0.00 O ATOM 1124 CB THR A 81 14.387 -8.659 -3.294 1.00 0.00 C ATOM 1125 OG1 THR A 81 13.755 -9.473 -4.288 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.641 -8.791 -1.975 1.00 0.00 C ATOM 0 H THR A 81 12.383 -7.453 -4.171 1.00 0.00 H new ATOM 0 HA THR A 81 14.628 -6.551 -2.901 1.00 0.00 H new ATOM 0 HB THR A 81 15.414 -8.995 -3.148 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.739 -10.405 -3.986 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.630 -9.836 -1.666 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.141 -8.193 -1.213 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.617 -8.438 -2.099 1.00 0.00 H new ATOM 1134 N PHE A 82 15.200 -7.297 -6.053 1.00 0.00 N ATOM 1135 CA PHE A 82 16.167 -7.176 -7.138 1.00 0.00 C ATOM 1136 C PHE A 82 16.356 -5.716 -7.539 1.00 0.00 C ATOM 1137 O PHE A 82 17.418 -5.327 -8.026 1.00 0.00 O ATOM 1138 CB PHE A 82 15.712 -7.994 -8.348 1.00 0.00 C ATOM 1139 CG PHE A 82 14.237 -7.897 -8.617 1.00 0.00 C ATOM 1140 CD1 PHE A 82 13.351 -8.779 -8.021 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.738 -6.923 -9.467 1.00 0.00 C ATOM 1142 CE1 PHE A 82 11.993 -8.692 -8.266 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.381 -6.830 -9.715 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.508 -7.717 -9.115 1.00 0.00 C ATOM 0 H PHE A 82 14.272 -7.603 -6.347 1.00 0.00 H new ATOM 0 HA PHE A 82 17.122 -7.563 -6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.257 -7.657 -9.230 1.00 0.00 H new ATOM 0 HB3 PHE A 82 15.976 -9.040 -8.190 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.725 -9.544 -7.357 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.416 -6.229 -9.941 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.313 -9.385 -7.794 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.004 -6.065 -10.377 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.448 -7.648 -9.310 1.00 0.00 H new ATOM 1154 N CYS A 83 15.319 -4.913 -7.331 1.00 0.00 N ATOM 1155 CA CYS A 83 15.368 -3.496 -7.671 1.00 0.00 C ATOM 1156 C CYS A 83 15.998 -2.687 -6.540 1.00 0.00 C ATOM 1157 O CYS A 83 15.822 -1.470 -6.460 1.00 0.00 O ATOM 1158 CB CYS A 83 13.961 -2.972 -7.966 1.00 0.00 C ATOM 1159 SG CYS A 83 13.238 -3.611 -9.510 1.00 0.00 S ATOM 0 H CYS A 83 14.433 -5.219 -6.928 1.00 0.00 H new ATOM 0 HA CYS A 83 15.985 -3.382 -8.563 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.306 -3.234 -7.135 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.993 -1.884 -8.016 1.00 0.00 H new ATOM 0 HG CYS A 83 13.226 -4.911 -9.478 1.00 0.00 H new ATOM 1164 N LEU A 84 16.731 -3.371 -5.669 1.00 0.00 N ATOM 1165 CA LEU A 84 17.388 -2.717 -4.543 1.00 0.00 C ATOM 1166 C LEU A 84 18.872 -2.506 -4.825 1.00 0.00 C ATOM 1167 O LEU A 84 19.491 -3.282 -5.553 1.00 0.00 O ATOM 1168 CB LEU A 84 17.213 -3.549 -3.271 1.00 0.00 C ATOM 1169 CG LEU A 84 15.837 -3.480 -2.608 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.774 -4.414 -1.410 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.517 -2.051 -2.191 1.00 0.00 C ATOM 0 H LEU A 84 16.885 -4.378 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 84 16.922 -1.742 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.427 -4.591 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.960 -3.228 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 84 15.089 -3.802 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.787 -4.351 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.958 -5.438 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.532 -4.124 -0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.534 -2.021 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.269 -1.702 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.519 -1.406 -3.070 1.00 0.00 H new ATOM 1183 N GLN A 85 19.437 -1.452 -4.243 1.00 0.00 N ATOM 1184 CA GLN A 85 20.849 -1.141 -4.432 1.00 0.00 C ATOM 1185 C GLN A 85 21.544 -0.933 -3.091 1.00 0.00 C ATOM 1186 O GLN A 85 21.427 0.117 -2.459 1.00 0.00 O ATOM 1187 CB GLN A 85 21.006 0.108 -5.300 1.00 0.00 C ATOM 1188 CG GLN A 85 22.425 0.651 -5.334 1.00 0.00 C ATOM 1189 CD GLN A 85 23.448 -0.411 -5.685 1.00 0.00 C ATOM 1190 OE1 GLN A 85 23.101 -1.482 -6.184 1.00 0.00 O ATOM 1191 NE2 GLN A 85 24.717 -0.119 -5.427 1.00 0.00 N ATOM 0 H GLN A 85 18.939 -0.800 -3.637 1.00 0.00 H new ATOM 0 HA GLN A 85 21.317 -1.986 -4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 85 20.690 -0.125 -6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.337 0.885 -4.929 1.00 0.00 H new ATOM 0 HG2 GLN A 85 22.483 1.460 -6.062 1.00 0.00 H new ATOM 0 HG3 GLN A 85 22.670 1.079 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 85 24.959 0.781 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 85 25.450 -0.795 -5.643 1.00 0.00 H new ATOM 1200 N PRO A 86 22.285 -1.958 -2.643 1.00 0.00 N ATOM 1201 CA PRO A 86 22.431 -3.213 -3.386 1.00 0.00 C ATOM 1202 C PRO A 86 21.142 -4.028 -3.407 1.00 0.00 C ATOM 1203 O PRO A 86 20.130 -3.622 -2.834 1.00 0.00 O ATOM 1204 CB PRO A 86 23.522 -3.958 -2.612 1.00 0.00 C ATOM 1205 CG PRO A 86 23.448 -3.408 -1.229 1.00 0.00 C ATOM 1206 CD PRO A 86 23.038 -1.970 -1.377 1.00 0.00 C ATOM 0 HA PRO A 86 22.675 -3.040 -4.434 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.348 -5.034 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.505 -3.790 -3.053 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.726 -3.960 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.411 -3.489 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.422 -1.640 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.903 -1.308 -1.418 1.00 0.00 H new ATOM 1214 N VAL A 87 21.185 -5.179 -4.069 1.00 0.00 N ATOM 1215 CA VAL A 87 20.021 -6.051 -4.163 1.00 0.00 C ATOM 1216 C VAL A 87 19.930 -6.978 -2.956 1.00 0.00 C ATOM 1217 O VAL A 87 20.947 -7.402 -2.408 1.00 0.00 O ATOM 1218 CB VAL A 87 20.058 -6.901 -5.448 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.245 -8.174 -5.269 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.550 -6.095 -6.634 1.00 0.00 C ATOM 0 H VAL A 87 22.014 -5.530 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 87 19.143 -5.405 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 87 21.092 -7.184 -5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.282 -8.762 -6.186 1.00 0.00 H new ATOM 0 HG12 VAL A 87 19.659 -8.758 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.210 -7.916 -5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.583 -6.710 -7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.523 -5.780 -6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.179 -5.216 -6.773 1.00 0.00 H new ATOM 1230 N MET A 88 18.704 -7.289 -2.547 1.00 0.00 N ATOM 1231 CA MET A 88 18.480 -8.168 -1.405 1.00 0.00 C ATOM 1232 C MET A 88 18.310 -9.615 -1.858 1.00 0.00 C ATOM 1233 O MET A 88 17.539 -9.903 -2.774 1.00 0.00 O ATOM 1234 CB MET A 88 17.245 -7.718 -0.623 1.00 0.00 C ATOM 1235 CG MET A 88 17.480 -6.474 0.220 1.00 0.00 C ATOM 1236 SD MET A 88 18.453 -6.811 1.700 1.00 0.00 S ATOM 1237 CE MET A 88 17.204 -6.640 2.972 1.00 0.00 C ATOM 0 H MET A 88 17.851 -6.946 -2.989 1.00 0.00 H new ATOM 0 HA MET A 88 19.354 -8.109 -0.756 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.432 -7.525 -1.323 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.920 -8.531 0.026 1.00 0.00 H new ATOM 0 HG2 MET A 88 17.991 -5.723 -0.382 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.519 -6.050 0.511 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.398 -5.739 3.554 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.220 -6.568 2.508 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.233 -7.509 3.629 1.00 0.00 H new ATOM 1247 N LYS A 89 19.034 -10.521 -1.211 1.00 0.00 N ATOM 1248 CA LYS A 89 18.963 -11.939 -1.545 1.00 0.00 C ATOM 1249 C LYS A 89 17.694 -12.568 -0.979 1.00 0.00 C ATOM 1250 O LYS A 89 17.045 -13.380 -1.639 1.00 0.00 O ATOM 1251 CB LYS A 89 20.193 -12.673 -1.007 1.00 0.00 C ATOM 1252 CG LYS A 89 21.509 -12.093 -1.495 1.00 0.00 C ATOM 1253 CD LYS A 89 21.946 -12.725 -2.806 1.00 0.00 C ATOM 1254 CE LYS A 89 21.478 -11.909 -4.001 1.00 0.00 C ATOM 1255 NZ LYS A 89 21.740 -12.611 -5.288 1.00 0.00 N ATOM 0 H LYS A 89 19.678 -10.299 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 89 18.940 -12.030 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.175 -12.645 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.137 -13.721 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.406 -11.016 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 89 22.279 -12.250 -0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 89 23.032 -12.811 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 89 21.545 -13.736 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.411 -11.707 -3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 89 21.986 -10.944 -4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 21.407 -12.023 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 22.761 -12.781 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.235 -13.520 -5.297 1.00 0.00 H new ATOM 1269 N SER A 90 17.346 -12.188 0.246 1.00 0.00 N ATOM 1270 CA SER A 90 16.155 -12.718 0.901 1.00 0.00 C ATOM 1271 C SER A 90 15.409 -11.615 1.645 1.00 0.00 C ATOM 1272 O SER A 90 15.910 -10.500 1.792 1.00 0.00 O ATOM 1273 CB SER A 90 16.537 -13.836 1.873 1.00 0.00 C ATOM 1274 OG SER A 90 17.508 -13.393 2.805 1.00 0.00 O ATOM 0 H SER A 90 17.871 -11.516 0.805 1.00 0.00 H new ATOM 0 HA SER A 90 15.497 -13.124 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.649 -14.179 2.404 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.925 -14.689 1.316 1.00 0.00 H new ATOM 0 HG SER A 90 17.733 -14.126 3.416 1.00 0.00 H new ATOM 1280 N VAL A 91 14.206 -11.934 2.113 1.00 0.00 N ATOM 1281 CA VAL A 91 13.389 -10.972 2.843 1.00 0.00 C ATOM 1282 C VAL A 91 13.552 -11.144 4.349 1.00 0.00 C ATOM 1283 O VAL A 91 13.179 -12.165 4.926 1.00 0.00 O ATOM 1284 CB VAL A 91 11.899 -11.112 2.480 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.054 -10.168 3.322 1.00 0.00 C ATOM 1286 CG2 VAL A 91 11.686 -10.851 0.996 1.00 0.00 C ATOM 0 H VAL A 91 13.776 -12.852 1.999 1.00 0.00 H new ATOM 0 HA VAL A 91 13.734 -9.979 2.554 1.00 0.00 H new ATOM 0 HB VAL A 91 11.584 -12.133 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.004 -10.281 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.185 -10.406 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.367 -9.140 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 91 10.628 -10.954 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.016 -9.841 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.261 -11.571 0.414 1.00 0.00 H new ATOM 1296 N PRO A 92 14.123 -10.121 5.002 1.00 0.00 N ATOM 1297 CA PRO A 92 14.348 -10.135 6.451 1.00 0.00 C ATOM 1298 C PRO A 92 13.047 -10.041 7.240 1.00 0.00 C ATOM 1299 O PRO A 92 12.063 -9.470 6.770 1.00 0.00 O ATOM 1300 CB PRO A 92 15.209 -8.891 6.688 1.00 0.00 C ATOM 1301 CG PRO A 92 14.880 -7.982 5.554 1.00 0.00 C ATOM 1302 CD PRO A 92 14.593 -8.873 4.378 1.00 0.00 C ATOM 0 HA PRO A 92 14.815 -11.063 6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.979 -8.427 7.647 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.270 -9.140 6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.018 -7.359 5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.710 -7.309 5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.836 -8.442 3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.484 -9.038 3.772 1.00 0.00 H new ATOM 1310 N THR A 93 13.049 -10.604 8.445 1.00 0.00 N ATOM 1311 CA THR A 93 11.869 -10.584 9.299 1.00 0.00 C ATOM 1312 C THR A 93 12.163 -9.894 10.627 1.00 0.00 C ATOM 1313 O THR A 93 11.695 -10.328 11.679 1.00 0.00 O ATOM 1314 CB THR A 93 11.352 -12.008 9.577 1.00 0.00 C ATOM 1315 OG1 THR A 93 12.346 -12.761 10.280 1.00 0.00 O ATOM 1316 CG2 THR A 93 10.995 -12.717 8.279 1.00 0.00 C ATOM 0 H THR A 93 13.855 -11.079 8.851 1.00 0.00 H new ATOM 0 HA THR A 93 11.101 -10.025 8.764 1.00 0.00 H new ATOM 0 HB THR A 93 10.454 -11.932 10.190 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.009 -13.665 10.455 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.632 -13.721 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.217 -12.156 7.760 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.879 -12.782 7.645 1.00 0.00 H new ATOM 1324 N ASN A 94 12.940 -8.818 10.570 1.00 0.00 N ATOM 1325 CA ASN A 94 13.296 -8.068 11.769 1.00 0.00 C ATOM 1326 C ASN A 94 13.129 -6.568 11.542 1.00 0.00 C ATOM 1327 O ASN A 94 13.855 -5.758 12.117 1.00 0.00 O ATOM 1328 CB ASN A 94 14.737 -8.376 12.179 1.00 0.00 C ATOM 1329 CG ASN A 94 14.946 -8.275 13.678 1.00 0.00 C ATOM 1330 OD1 ASN A 94 14.063 -8.620 14.463 1.00 0.00 O ATOM 1331 ND2 ASN A 94 16.119 -7.800 14.081 1.00 0.00 N ATOM 0 H ASN A 94 13.335 -8.446 9.707 1.00 0.00 H new ATOM 0 HA ASN A 94 12.624 -8.373 12.571 1.00 0.00 H new ATOM 0 HB2 ASN A 94 15.000 -9.380 11.845 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.411 -7.685 11.674 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.317 -7.709 15.077 1.00 0.00 H new ATOM 0 HD22 ASN A 94 16.822 -7.526 13.394 1.00 0.00 H new ATOM 1338 N GLY A 95 12.166 -6.206 10.700 1.00 0.00 N ATOM 1339 CA GLY A 95 11.921 -4.805 10.412 1.00 0.00 C ATOM 1340 C GLY A 95 12.802 -4.279 9.296 1.00 0.00 C ATOM 1341 O GLY A 95 14.014 -4.149 9.463 1.00 0.00 O ATOM 0 H GLY A 95 11.551 -6.858 10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.874 -4.671 10.138 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.092 -4.217 11.314 1.00 0.00 H new ATOM 1345 N TRP A 96 12.192 -3.978 8.155 1.00 0.00 N ATOM 1346 CA TRP A 96 12.930 -3.465 7.006 1.00 0.00 C ATOM 1347 C TRP A 96 12.844 -1.945 6.939 1.00 0.00 C ATOM 1348 O TRP A 96 11.899 -1.343 7.450 1.00 0.00 O ATOM 1349 CB TRP A 96 12.390 -4.077 5.713 1.00 0.00 C ATOM 1350 CG TRP A 96 13.318 -3.917 4.547 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.489 -4.587 4.333 1.00 0.00 C ATOM 1352 CD2 TRP A 96 13.153 -3.028 3.436 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.062 -4.168 3.157 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.262 -3.213 2.587 1.00 0.00 C ATOM 1355 CE3 TRP A 96 12.177 -2.096 3.076 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 14.418 -2.499 1.402 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 12.334 -1.388 1.900 1.00 0.00 C ATOM 1358 CH2 TRP A 96 13.447 -1.593 1.074 1.00 0.00 C ATOM 0 H TRP A 96 11.189 -4.080 8.001 1.00 0.00 H new ATOM 0 HA TRP A 96 13.977 -3.746 7.123 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.200 -5.138 5.874 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.433 -3.614 5.473 1.00 0.00 H new ATOM 0 HD1 TRP A 96 14.903 -5.336 4.992 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.941 -4.512 2.771 1.00 0.00 H new ATOM 0 HE3 TRP A 96 11.315 -1.932 3.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.275 -2.655 0.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 11.586 -0.664 1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 96 13.540 -1.025 0.160 1.00 0.00 H new ATOM 1369 N LYS A 97 13.835 -1.328 6.305 1.00 0.00 N ATOM 1370 CA LYS A 97 13.871 0.124 6.168 1.00 0.00 C ATOM 1371 C LYS A 97 14.544 0.531 4.861 1.00 0.00 C ATOM 1372 O LYS A 97 15.723 0.252 4.645 1.00 0.00 O ATOM 1373 CB LYS A 97 14.612 0.749 7.352 1.00 0.00 C ATOM 1374 CG LYS A 97 14.119 2.141 7.711 1.00 0.00 C ATOM 1375 CD LYS A 97 15.174 2.927 8.470 1.00 0.00 C ATOM 1376 CE LYS A 97 15.165 2.587 9.952 1.00 0.00 C ATOM 1377 NZ LYS A 97 16.008 1.398 10.254 1.00 0.00 N ATOM 0 H LYS A 97 14.625 -1.811 5.877 1.00 0.00 H new ATOM 0 HA LYS A 97 12.844 0.489 6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.505 0.099 8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.676 0.798 7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.848 2.678 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.216 2.063 8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 97 16.158 2.714 8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.997 3.995 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.526 3.442 10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.141 2.398 10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.430 0.673 10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.393 1.012 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.791 1.677 10.879 1.00 0.00 H new ATOM 1391 N CYS A 98 13.787 1.193 3.993 1.00 0.00 N ATOM 1392 CA CYS A 98 14.309 1.640 2.707 1.00 0.00 C ATOM 1393 C CYS A 98 15.325 2.764 2.894 1.00 0.00 C ATOM 1394 O CYS A 98 15.471 3.309 3.989 1.00 0.00 O ATOM 1395 CB CYS A 98 13.168 2.115 1.806 1.00 0.00 C ATOM 1396 SG CYS A 98 12.645 3.833 2.112 1.00 0.00 S ATOM 0 H CYS A 98 12.809 1.432 4.157 1.00 0.00 H new ATOM 0 HA CYS A 98 14.809 0.795 2.233 1.00 0.00 H new ATOM 0 HB2 CYS A 98 13.478 2.021 0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 98 12.311 1.456 1.945 1.00 0.00 H new ATOM 0 HG CYS A 98 11.347 3.897 2.116 1.00 0.00 H new ATOM 1401 N LYS A 99 16.026 3.105 1.818 1.00 0.00 N ATOM 1402 CA LYS A 99 17.027 4.164 1.861 1.00 0.00 C ATOM 1403 C LYS A 99 16.393 5.498 2.240 1.00 0.00 C ATOM 1404 O LYS A 99 16.684 6.056 3.297 1.00 0.00 O ATOM 1405 CB LYS A 99 17.727 4.287 0.506 1.00 0.00 C ATOM 1406 CG LYS A 99 18.753 5.406 0.450 1.00 0.00 C ATOM 1407 CD LYS A 99 18.122 6.721 0.024 1.00 0.00 C ATOM 1408 CE LYS A 99 19.135 7.632 -0.653 1.00 0.00 C ATOM 1409 NZ LYS A 99 18.519 8.913 -1.095 1.00 0.00 N ATOM 0 H LYS A 99 15.919 2.663 0.905 1.00 0.00 H new ATOM 0 HA LYS A 99 17.763 3.903 2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.219 3.343 0.274 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.977 4.454 -0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.217 5.525 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 99 19.546 5.139 -0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.295 6.525 -0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.704 7.224 0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.953 7.841 0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.566 7.120 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.241 9.506 -1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.755 8.715 -1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.130 9.414 -0.271 1.00 0.00 H new ATOM 1423 N ASN A 100 15.524 6.003 1.371 1.00 0.00 N ATOM 1424 CA ASN A 100 14.847 7.272 1.616 1.00 0.00 C ATOM 1425 C ASN A 100 14.473 7.413 3.088 1.00 0.00 C ATOM 1426 O ASN A 100 14.337 8.524 3.602 1.00 0.00 O ATOM 1427 CB ASN A 100 13.593 7.381 0.746 1.00 0.00 C ATOM 1428 CG ASN A 100 12.548 8.299 1.351 1.00 0.00 C ATOM 1429 OD1 ASN A 100 12.866 9.387 1.832 1.00 0.00 O ATOM 1430 ND2 ASN A 100 11.294 7.863 1.329 1.00 0.00 N ATOM 0 H ASN A 100 15.272 5.553 0.491 1.00 0.00 H new ATOM 0 HA ASN A 100 15.533 8.078 1.355 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.870 7.751 -0.241 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.164 6.389 0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.548 8.437 1.721 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.077 6.954 0.920 1.00 0.00 H new ATOM 1437 N CYS A 101 14.307 6.280 3.762 1.00 0.00 N ATOM 1438 CA CYS A 101 13.949 6.276 5.175 1.00 0.00 C ATOM 1439 C CYS A 101 15.192 6.159 6.052 1.00 0.00 C ATOM 1440 O CYS A 101 15.289 6.800 7.098 1.00 0.00 O ATOM 1441 CB CYS A 101 12.989 5.123 5.476 1.00 0.00 C ATOM 1442 SG CYS A 101 11.252 5.472 5.054 1.00 0.00 S ATOM 0 H CYS A 101 14.415 5.352 3.352 1.00 0.00 H new ATOM 0 HA CYS A 101 13.455 7.221 5.401 1.00 0.00 H new ATOM 0 HB2 CYS A 101 13.315 4.240 4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 101 13.052 4.879 6.537 1.00 0.00 H new ATOM 0 HG CYS A 101 10.980 4.969 3.887 1.00 0.00 H new ATOM 1447 N ARG A 102 16.141 5.336 5.616 1.00 0.00 N ATOM 1448 CA ARG A 102 17.378 5.134 6.361 1.00 0.00 C ATOM 1449 C ARG A 102 17.953 6.467 6.832 1.00 0.00 C ATOM 1450 O ARG A 102 18.490 6.567 7.935 1.00 0.00 O ATOM 1451 CB ARG A 102 18.405 4.400 5.497 1.00 0.00 C ATOM 1452 CG ARG A 102 19.303 5.330 4.696 1.00 0.00 C ATOM 1453 CD ARG A 102 20.555 4.615 4.213 1.00 0.00 C ATOM 1454 NE ARG A 102 21.608 5.553 3.834 1.00 0.00 N ATOM 1455 CZ ARG A 102 22.432 6.124 4.706 1.00 0.00 C ATOM 1456 NH1 ARG A 102 22.325 5.854 6.000 1.00 0.00 N ATOM 1457 NH2 ARG A 102 23.366 6.967 4.284 1.00 0.00 N ATOM 0 H ARG A 102 16.077 4.799 4.751 1.00 0.00 H new ATOM 0 HA ARG A 102 17.150 4.527 7.237 1.00 0.00 H new ATOM 0 HB2 ARG A 102 19.025 3.773 6.138 1.00 0.00 H new ATOM 0 HB3 ARG A 102 17.881 3.735 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 102 18.753 5.721 3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 102 19.585 6.185 5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.922 3.956 4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 102 20.306 3.985 3.359 1.00 0.00 H new ATOM 0 HE ARG A 102 21.717 5.782 2.846 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.609 5.206 6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.959 6.294 6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 102 23.452 7.177 3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 102 23.998 7.405 4.954 1.00 0.00 H new ATOM 1471 N ILE A 103 17.837 7.487 5.988 1.00 0.00 N ATOM 1472 CA ILE A 103 18.345 8.812 6.318 1.00 0.00 C ATOM 1473 C ILE A 103 18.178 9.110 7.804 1.00 0.00 C ATOM 1474 O ILE A 103 17.061 9.130 8.322 1.00 0.00 O ATOM 1475 CB ILE A 103 17.631 9.907 5.503 1.00 0.00 C ATOM 1476 CG1 ILE A 103 18.120 9.895 4.053 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.862 11.272 6.134 1.00 0.00 C ATOM 1478 CD1 ILE A 103 17.293 9.014 3.144 1.00 0.00 C ATOM 0 H ILE A 103 17.396 7.421 5.071 1.00 0.00 H new ATOM 0 HA ILE A 103 19.405 8.816 6.066 1.00 0.00 H new ATOM 0 HB ILE A 103 16.560 9.703 5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 103 18.109 10.914 3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 103 19.156 9.556 4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 103 17.351 12.035 5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 103 17.470 11.274 7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.931 11.486 6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 103 17.697 9.054 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 103 17.324 7.987 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 103 16.261 9.365 3.137 1.00 0.00 H new