USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 543 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 46 CYS SG : rot 142:sc= -0.609 USER MOD Set 1.2: A 52 CYS SG : rot 148:sc= 0.167 USER MOD Set 1.3: A 62 CYS SG : rot -163:sc= 0.487 USER MOD Set 1.4: A 65 CYS SG : rot 143:sc= 0.857 USER MOD Set 2.1: A 10 CYS SG : rot 160:sc= 0.535 USER MOD Set 2.2: A 13 CYS SG : rot -42:sc= 0.529 USER MOD Set 2.3: A 27 CYS SG : rot -129:sc= 1.08 USER MOD Set 2.4: A 30 CYS SG : rot 82:sc= 0.986 USER MOD Set 2.5: A 56 GLN : amide:sc= -2.84! C(o=0.29!,f=0.19!) USER MOD Set 3.1: A 26 THR OG1 : rot -133:sc= 0.0539 USER MOD Set 3.2: A 75 MET CE :methyl -132:sc= -7.89! (180deg=-12!) USER MOD Set 4.1: A 18 SER OG : rot 86:sc= 1.04 USER MOD Set 4.2: A 21 HIS : no HE2:sc= -0.372 K(o=0.67,f=-7.6!) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 1.09 (180deg=0.892) USER MOD Single : A 17 SER OG : rot -130:sc= 0.00848 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -161:sc= 1.13 USER MOD Single : A 24 GLN : amide:sc= -1.42 X(o=-1.4,f=-0.96) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0813) USER MOD Single : A 32 SER OG : rot 180:sc=-0.00399 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 3:sc= -0.187 USER MOD Single : A 41 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.051) USER MOD Single : A 43 THR OG1 : rot -26:sc= 0.394 USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.644 F(o=-2,f=-0.64) USER MOD Single : A 63 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.6) USER MOD Single : A 64 TYR OH : rot 0:sc= -0.816 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.376) USER MOD Single : A 70 CYS SG : rot 53:sc= -0.17 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.676 15.225 2.349 1.00 0.00 N ATOM 67 CA ILE A 8 -6.291 14.180 3.289 1.00 0.00 C ATOM 68 C ILE A 8 -5.051 13.436 2.806 1.00 0.00 C ATOM 69 O ILE A 8 -4.851 13.257 1.605 1.00 0.00 O ATOM 70 CB ILE A 8 -7.432 13.168 3.503 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.773 13.895 3.623 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.168 12.326 4.742 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.967 12.967 3.609 1.00 0.00 C ATOM 0 HA ILE A 8 -6.070 14.673 4.236 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.476 12.505 2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.783 14.472 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.866 14.606 2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.983 11.616 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.231 11.783 4.620 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.101 12.975 5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.883 13.551 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.982 12.408 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.897 12.272 4.446 1.00 0.00 H new ATOM 85 N GLU A 9 -4.222 13.003 3.751 1.00 0.00 N ATOM 86 CA GLU A 9 -3.001 12.277 3.421 1.00 0.00 C ATOM 87 C GLU A 9 -3.160 10.787 3.709 1.00 0.00 C ATOM 88 O GLU A 9 -4.065 10.376 4.436 1.00 0.00 O ATOM 89 CB GLU A 9 -1.818 12.838 4.213 1.00 0.00 C ATOM 90 CG GLU A 9 -1.332 14.186 3.709 1.00 0.00 C ATOM 91 CD GLU A 9 -0.446 14.899 4.711 1.00 0.00 C ATOM 92 OE1 GLU A 9 0.161 14.214 5.561 1.00 0.00 O ATOM 93 OE2 GLU A 9 -0.360 16.144 4.646 1.00 0.00 O ATOM 0 H GLU A 9 -4.374 13.142 4.750 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.809 12.405 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.105 12.933 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.994 12.126 4.172 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.781 14.045 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.192 14.815 3.478 1.00 0.00 H new ATOM 100 N CYS A 10 -2.273 9.981 3.133 1.00 0.00 N ATOM 101 CA CYS A 10 -2.314 8.537 3.326 1.00 0.00 C ATOM 102 C CYS A 10 -1.707 8.150 4.672 1.00 0.00 C ATOM 103 O CYS A 10 -0.576 8.523 4.985 1.00 0.00 O ATOM 104 CB CYS A 10 -1.565 7.830 2.194 1.00 0.00 C ATOM 105 SG CYS A 10 -1.626 6.011 2.285 1.00 0.00 S ATOM 0 H CYS A 10 -1.517 10.304 2.529 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.358 8.223 3.315 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.984 8.150 1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.523 8.149 2.207 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.366 5.509 1.114 1.00 0.00 H new ATOM 110 N VAL A 11 -2.467 7.400 5.463 1.00 0.00 N ATOM 111 CA VAL A 11 -2.005 6.961 6.775 1.00 0.00 C ATOM 112 C VAL A 11 -0.984 5.836 6.649 1.00 0.00 C ATOM 113 O VAL A 11 -0.573 5.242 7.646 1.00 0.00 O ATOM 114 CB VAL A 11 -3.177 6.481 7.651 1.00 0.00 C ATOM 115 CG1 VAL A 11 -4.143 7.624 7.923 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.892 5.313 6.990 1.00 0.00 C ATOM 0 H VAL A 11 -3.405 7.083 5.219 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.536 7.822 7.250 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.778 6.139 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.965 7.266 8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.620 8.427 8.442 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.538 7.999 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.717 4.986 7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.280 5.625 6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.192 4.489 6.853 1.00 0.00 H new ATOM 126 N VAL A 12 -0.578 5.547 5.417 1.00 0.00 N ATOM 127 CA VAL A 12 0.397 4.494 5.160 1.00 0.00 C ATOM 128 C VAL A 12 1.709 5.073 4.643 1.00 0.00 C ATOM 129 O VAL A 12 2.773 4.840 5.218 1.00 0.00 O ATOM 130 CB VAL A 12 -0.138 3.471 4.140 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.901 2.393 3.870 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.439 2.857 4.634 1.00 0.00 C ATOM 0 H VAL A 12 -0.909 6.028 4.581 1.00 0.00 H new ATOM 0 HA VAL A 12 0.576 3.990 6.110 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.340 3.990 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.505 1.679 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.805 2.851 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.138 1.875 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.803 2.137 3.901 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.265 2.352 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.183 3.642 4.771 1.00 0.00 H new ATOM 142 N CYS A 13 1.626 5.830 3.554 1.00 0.00 N ATOM 143 CA CYS A 13 2.807 6.443 2.958 1.00 0.00 C ATOM 144 C CYS A 13 2.741 7.964 3.063 1.00 0.00 C ATOM 145 O CYS A 13 3.739 8.655 2.861 1.00 0.00 O ATOM 146 CB CYS A 13 2.937 6.028 1.491 1.00 0.00 C ATOM 147 SG CYS A 13 1.552 6.568 0.439 1.00 0.00 S ATOM 0 H CYS A 13 0.753 6.034 3.066 1.00 0.00 H new ATOM 0 HA CYS A 13 3.683 6.095 3.506 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.864 6.437 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.018 4.942 1.438 1.00 0.00 H new ATOM 0 HG CYS A 13 0.430 6.379 1.068 1.00 0.00 H new ATOM 152 N GLY A 14 1.557 8.480 3.381 1.00 0.00 N ATOM 153 CA GLY A 14 1.382 9.915 3.507 1.00 0.00 C ATOM 154 C GLY A 14 0.792 10.540 2.259 1.00 0.00 C ATOM 155 O GLY A 14 0.240 11.639 2.308 1.00 0.00 O ATOM 0 H GLY A 14 0.716 7.929 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.732 10.125 4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.346 10.378 3.720 1.00 0.00 H new ATOM 159 N ASP A 15 0.910 9.839 1.136 1.00 0.00 N ATOM 160 CA ASP A 15 0.384 10.332 -0.131 1.00 0.00 C ATOM 161 C ASP A 15 -1.044 10.843 0.034 1.00 0.00 C ATOM 162 O ASP A 15 -1.847 10.252 0.756 1.00 0.00 O ATOM 163 CB ASP A 15 0.424 9.227 -1.189 1.00 0.00 C ATOM 164 CG ASP A 15 -0.037 9.711 -2.549 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.109 10.919 -2.830 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.543 8.882 -3.334 1.00 0.00 O ATOM 0 H ASP A 15 1.365 8.928 1.078 1.00 0.00 H new ATOM 0 HA ASP A 15 1.012 11.161 -0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.440 8.841 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.207 8.398 -0.868 1.00 0.00 H new ATOM 171 N LYS A 16 -1.353 11.947 -0.637 1.00 0.00 N ATOM 172 CA LYS A 16 -2.683 12.539 -0.566 1.00 0.00 C ATOM 173 C LYS A 16 -3.763 11.472 -0.712 1.00 0.00 C ATOM 174 O LYS A 16 -4.062 11.027 -1.820 1.00 0.00 O ATOM 175 CB LYS A 16 -2.850 13.602 -1.655 1.00 0.00 C ATOM 176 CG LYS A 16 -4.110 14.436 -1.502 1.00 0.00 C ATOM 177 CD LYS A 16 -5.308 13.761 -2.148 1.00 0.00 C ATOM 178 CE LYS A 16 -6.569 14.598 -1.995 1.00 0.00 C ATOM 179 NZ LYS A 16 -7.802 13.772 -2.120 1.00 0.00 N ATOM 0 H LYS A 16 -0.699 12.450 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.792 13.009 0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.983 14.263 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.864 13.113 -2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.312 14.601 -0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.956 15.416 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.106 13.595 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.463 12.782 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.561 15.093 -1.024 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.579 15.382 -2.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.615 14.304 -1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.966 13.543 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.687 12.892 -1.578 1.00 0.00 H new ATOM 193 N SER A 17 -4.345 11.067 0.412 1.00 0.00 N ATOM 194 CA SER A 17 -5.390 10.050 0.408 1.00 0.00 C ATOM 195 C SER A 17 -6.528 10.444 -0.528 1.00 0.00 C ATOM 196 O SER A 17 -6.983 11.587 -0.523 1.00 0.00 O ATOM 197 CB SER A 17 -5.929 9.838 1.824 1.00 0.00 C ATOM 198 OG SER A 17 -7.235 9.289 1.796 1.00 0.00 O ATOM 0 H SER A 17 -4.111 11.427 1.337 1.00 0.00 H new ATOM 0 HA SER A 17 -4.954 9.118 0.049 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.263 9.173 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.942 10.788 2.358 1.00 0.00 H new ATOM 0 HG SER A 17 -7.823 9.814 2.378 1.00 0.00 H new ATOM 204 N SER A 18 -6.983 9.487 -1.331 1.00 0.00 N ATOM 205 CA SER A 18 -8.066 9.734 -2.276 1.00 0.00 C ATOM 206 C SER A 18 -9.411 9.790 -1.559 1.00 0.00 C ATOM 207 O SER A 18 -10.372 10.370 -2.062 1.00 0.00 O ATOM 208 CB SER A 18 -8.092 8.644 -3.349 1.00 0.00 C ATOM 209 OG SER A 18 -8.278 7.363 -2.772 1.00 0.00 O ATOM 0 H SER A 18 -6.619 8.534 -1.346 1.00 0.00 H new ATOM 0 HA SER A 18 -7.888 10.698 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.895 8.847 -4.058 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.158 8.661 -3.911 1.00 0.00 H new ATOM 0 HG SER A 18 -9.236 7.191 -2.660 1.00 0.00 H new ATOM 215 N GLY A 19 -9.471 9.181 -0.379 1.00 0.00 N ATOM 216 CA GLY A 19 -10.703 9.172 0.390 1.00 0.00 C ATOM 217 C GLY A 19 -10.702 8.112 1.473 1.00 0.00 C ATOM 218 O GLY A 19 -9.688 7.455 1.711 1.00 0.00 O ATOM 0 H GLY A 19 -8.689 8.694 0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.851 10.152 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.545 9.001 -0.281 1.00 0.00 H new ATOM 222 N LYS A 20 -11.843 7.943 2.134 1.00 0.00 N ATOM 223 CA LYS A 20 -11.972 6.956 3.199 1.00 0.00 C ATOM 224 C LYS A 20 -12.153 5.555 2.623 1.00 0.00 C ATOM 225 O LYS A 20 -13.278 5.093 2.431 1.00 0.00 O ATOM 226 CB LYS A 20 -13.155 7.303 4.104 1.00 0.00 C ATOM 227 CG LYS A 20 -13.298 6.379 5.301 1.00 0.00 C ATOM 228 CD LYS A 20 -14.012 7.065 6.454 1.00 0.00 C ATOM 229 CE LYS A 20 -13.029 7.762 7.382 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.700 8.302 8.596 1.00 0.00 N ATOM 0 H LYS A 20 -12.692 8.478 1.950 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.055 6.972 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.042 8.328 4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.073 7.268 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.851 5.487 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.312 6.050 5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.723 7.793 6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.587 6.329 7.017 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.250 7.060 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.538 8.575 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.996 8.769 9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.426 8.991 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.147 7.523 9.121 1.00 0.00 H new ATOM 244 N HIS A 21 -11.038 4.883 2.351 1.00 0.00 N ATOM 245 CA HIS A 21 -11.074 3.534 1.799 1.00 0.00 C ATOM 246 C HIS A 21 -10.887 2.492 2.898 1.00 0.00 C ATOM 247 O HIS A 21 -9.943 2.568 3.685 1.00 0.00 O ATOM 248 CB HIS A 21 -9.992 3.367 0.733 1.00 0.00 C ATOM 249 CG HIS A 21 -10.218 4.208 -0.486 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.422 4.255 -1.155 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.384 5.038 -1.155 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.320 5.077 -2.184 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.093 5.566 -2.207 1.00 0.00 N ATOM 0 H HIS A 21 -10.099 5.251 2.504 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.051 3.382 1.341 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.025 3.622 1.166 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.943 2.319 0.438 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.261 3.736 -0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.353 5.246 -0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.106 5.310 -2.887 1.00 0.00 H new ATOM 261 N TYR A 22 -11.792 1.521 2.947 1.00 0.00 N ATOM 262 CA TYR A 22 -11.728 0.466 3.952 1.00 0.00 C ATOM 263 C TYR A 22 -11.788 1.050 5.360 1.00 0.00 C ATOM 264 O TYR A 22 -11.069 0.612 6.257 1.00 0.00 O ATOM 265 CB TYR A 22 -10.448 -0.353 3.781 1.00 0.00 C ATOM 266 CG TYR A 22 -10.135 -0.695 2.341 1.00 0.00 C ATOM 267 CD1 TYR A 22 -10.792 -1.735 1.695 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.184 0.024 1.627 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.509 -2.051 0.381 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.896 -0.284 0.312 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.560 -1.323 -0.307 1.00 0.00 C ATOM 272 OH TYR A 22 -9.277 -1.634 -1.617 1.00 0.00 O ATOM 0 H TYR A 22 -12.579 1.442 2.303 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.590 -0.186 3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.611 0.204 4.203 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.538 -1.276 4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.537 -2.306 2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.661 0.837 2.109 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.028 -2.864 -0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.155 0.285 -0.229 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.408 -1.254 -1.863 1.00 0.00 H new ATOM 282 N GLY A 23 -12.651 2.044 5.545 1.00 0.00 N ATOM 283 CA GLY A 23 -12.790 2.673 6.846 1.00 0.00 C ATOM 284 C GLY A 23 -11.536 3.412 7.269 1.00 0.00 C ATOM 285 O GLY A 23 -11.350 3.706 8.450 1.00 0.00 O ATOM 0 H GLY A 23 -13.256 2.425 4.818 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.628 3.370 6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.029 1.913 7.590 1.00 0.00 H new ATOM 289 N GLN A 24 -10.673 3.712 6.304 1.00 0.00 N ATOM 290 CA GLN A 24 -9.430 4.419 6.584 1.00 0.00 C ATOM 291 C GLN A 24 -9.003 5.265 5.389 1.00 0.00 C ATOM 292 O GLN A 24 -9.238 4.896 4.238 1.00 0.00 O ATOM 293 CB GLN A 24 -8.323 3.426 6.942 1.00 0.00 C ATOM 294 CG GLN A 24 -7.308 3.976 7.931 1.00 0.00 C ATOM 295 CD GLN A 24 -7.960 4.668 9.112 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.028 5.897 9.166 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.445 3.882 10.066 1.00 0.00 N ATOM 0 H GLN A 24 -10.812 3.476 5.321 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.602 5.082 7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.775 2.527 7.360 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.805 3.128 6.030 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.681 3.161 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.652 4.680 7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.367 2.869 9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.896 4.292 10.884 1.00 0.00 H new ATOM 306 N PHE A 25 -8.374 6.402 5.669 1.00 0.00 N ATOM 307 CA PHE A 25 -7.916 7.301 4.616 1.00 0.00 C ATOM 308 C PHE A 25 -6.584 6.830 4.040 1.00 0.00 C ATOM 309 O PHE A 25 -5.545 6.914 4.696 1.00 0.00 O ATOM 310 CB PHE A 25 -7.775 8.725 5.159 1.00 0.00 C ATOM 311 CG PHE A 25 -9.088 9.432 5.335 1.00 0.00 C ATOM 312 CD1 PHE A 25 -9.964 9.572 4.271 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.447 9.958 6.566 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.173 10.222 4.430 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.655 10.608 6.732 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.519 10.742 5.662 1.00 0.00 C ATOM 0 H PHE A 25 -8.170 6.722 6.616 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.659 7.295 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.259 8.690 6.118 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.148 9.304 4.481 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.699 9.168 3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.775 9.859 7.405 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.847 10.323 3.592 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.924 11.011 7.697 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.463 11.252 5.789 1.00 0.00 H new ATOM 326 N THR A 26 -6.622 6.333 2.808 1.00 0.00 N ATOM 327 CA THR A 26 -5.420 5.846 2.143 1.00 0.00 C ATOM 328 C THR A 26 -5.412 6.234 0.669 1.00 0.00 C ATOM 329 O THR A 26 -6.451 6.229 0.008 1.00 0.00 O ATOM 330 CB THR A 26 -5.294 4.315 2.259 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.508 3.690 1.829 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.986 3.905 3.691 1.00 0.00 C ATOM 0 H THR A 26 -7.473 6.257 2.250 1.00 0.00 H new ATOM 0 HA THR A 26 -4.571 6.312 2.644 1.00 0.00 H new ATOM 0 HB THR A 26 -4.473 3.990 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.771 3.005 2.478 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.902 2.820 3.749 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.046 4.359 4.005 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.789 4.242 4.347 1.00 0.00 H new ATOM 340 N CYS A 27 -4.232 6.571 0.157 1.00 0.00 N ATOM 341 CA CYS A 27 -4.088 6.963 -1.240 1.00 0.00 C ATOM 342 C CYS A 27 -4.451 5.807 -2.169 1.00 0.00 C ATOM 343 O CYS A 27 -4.454 4.647 -1.760 1.00 0.00 O ATOM 344 CB CYS A 27 -2.655 7.423 -1.517 1.00 0.00 C ATOM 345 SG CYS A 27 -1.418 6.088 -1.447 1.00 0.00 S ATOM 0 H CYS A 27 -3.362 6.580 0.689 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.772 7.790 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.618 7.887 -2.503 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.385 8.192 -0.793 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.444 6.439 -0.661 1.00 0.00 H new ATOM 350 N GLU A 28 -4.756 6.135 -3.420 1.00 0.00 N ATOM 351 CA GLU A 28 -5.121 5.125 -4.407 1.00 0.00 C ATOM 352 C GLU A 28 -4.073 4.017 -4.464 1.00 0.00 C ATOM 353 O GLU A 28 -4.405 2.840 -4.600 1.00 0.00 O ATOM 354 CB GLU A 28 -5.280 5.763 -5.788 1.00 0.00 C ATOM 355 CG GLU A 28 -4.154 6.716 -6.152 1.00 0.00 C ATOM 356 CD GLU A 28 -3.061 6.046 -6.961 1.00 0.00 C ATOM 357 OE1 GLU A 28 -3.370 5.504 -8.043 1.00 0.00 O ATOM 358 OE2 GLU A 28 -1.896 6.064 -6.513 1.00 0.00 O ATOM 0 H GLU A 28 -4.758 7.091 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.073 4.687 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.334 4.975 -6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.227 6.302 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.561 7.552 -6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.724 7.130 -5.240 1.00 0.00 H new ATOM 365 N GLY A 29 -2.805 4.404 -4.360 1.00 0.00 N ATOM 366 CA GLY A 29 -1.728 3.432 -4.402 1.00 0.00 C ATOM 367 C GLY A 29 -1.850 2.382 -3.316 1.00 0.00 C ATOM 368 O GLY A 29 -1.700 1.188 -3.577 1.00 0.00 O ATOM 0 H GLY A 29 -2.505 5.372 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.722 2.943 -5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.773 3.948 -4.298 1.00 0.00 H new ATOM 372 N CYS A 30 -2.123 2.826 -2.094 1.00 0.00 N ATOM 373 CA CYS A 30 -2.263 1.917 -0.963 1.00 0.00 C ATOM 374 C CYS A 30 -3.673 1.335 -0.905 1.00 0.00 C ATOM 375 O CYS A 30 -3.907 0.307 -0.269 1.00 0.00 O ATOM 376 CB CYS A 30 -1.946 2.644 0.345 1.00 0.00 C ATOM 377 SG CYS A 30 -0.251 3.305 0.436 1.00 0.00 S ATOM 0 H CYS A 30 -2.252 3.811 -1.862 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.555 1.099 -1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.652 3.465 0.472 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.102 1.957 1.177 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.195 4.442 -0.191 1.00 0.00 H new ATOM 382 N LYS A 31 -4.609 2.000 -1.574 1.00 0.00 N ATOM 383 CA LYS A 31 -5.996 1.550 -1.601 1.00 0.00 C ATOM 384 C LYS A 31 -6.117 0.202 -2.305 1.00 0.00 C ATOM 385 O LYS A 31 -6.733 -0.728 -1.785 1.00 0.00 O ATOM 386 CB LYS A 31 -6.876 2.586 -2.304 1.00 0.00 C ATOM 387 CG LYS A 31 -8.260 2.068 -2.657 1.00 0.00 C ATOM 388 CD LYS A 31 -8.310 1.536 -4.079 1.00 0.00 C ATOM 389 CE LYS A 31 -8.255 2.663 -5.099 1.00 0.00 C ATOM 390 NZ LYS A 31 -9.531 3.430 -5.146 1.00 0.00 N ATOM 0 H LYS A 31 -4.432 2.853 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.335 1.434 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.977 3.461 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.377 2.916 -3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.542 1.277 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.990 2.869 -2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.475 0.855 -4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.224 0.960 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.435 3.337 -4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.042 2.250 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.526 4.062 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.331 2.769 -5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.629 3.995 -4.278 1.00 0.00 H new ATOM 404 N SER A 32 -5.523 0.104 -3.490 1.00 0.00 N ATOM 405 CA SER A 32 -5.566 -1.130 -4.267 1.00 0.00 C ATOM 406 C SER A 32 -4.506 -2.114 -3.782 1.00 0.00 C ATOM 407 O SER A 32 -4.741 -3.322 -3.732 1.00 0.00 O ATOM 408 CB SER A 32 -5.359 -0.830 -5.753 1.00 0.00 C ATOM 409 OG SER A 32 -4.011 -0.485 -6.020 1.00 0.00 O ATOM 0 H SER A 32 -5.006 0.864 -3.933 1.00 0.00 H new ATOM 0 HA SER A 32 -6.548 -1.583 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.639 -1.701 -6.346 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.014 -0.013 -6.057 1.00 0.00 H new ATOM 0 HG SER A 32 -3.904 -0.300 -6.976 1.00 0.00 H new ATOM 415 N PHE A 33 -3.339 -1.589 -3.426 1.00 0.00 N ATOM 416 CA PHE A 33 -2.241 -2.420 -2.947 1.00 0.00 C ATOM 417 C PHE A 33 -2.658 -3.212 -1.711 1.00 0.00 C ATOM 418 O PHE A 33 -2.170 -4.317 -1.474 1.00 0.00 O ATOM 419 CB PHE A 33 -1.021 -1.554 -2.624 1.00 0.00 C ATOM 420 CG PHE A 33 0.039 -2.279 -1.845 1.00 0.00 C ATOM 421 CD1 PHE A 33 0.930 -3.127 -2.484 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.146 -2.112 -0.474 1.00 0.00 C ATOM 423 CE1 PHE A 33 1.905 -3.795 -1.769 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.120 -2.778 0.246 1.00 0.00 C ATOM 425 CZ PHE A 33 2.002 -3.620 -0.403 1.00 0.00 C ATOM 0 H PHE A 33 -3.129 -0.591 -3.460 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.979 -3.124 -3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.589 -1.187 -3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.345 -0.681 -2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.861 -3.267 -3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.540 -1.454 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.592 -4.454 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.191 -2.640 1.315 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.765 -4.140 0.157 1.00 0.00 H new ATOM 435 N PHE A 34 -3.563 -2.637 -0.925 1.00 0.00 N ATOM 436 CA PHE A 34 -4.045 -3.287 0.288 1.00 0.00 C ATOM 437 C PHE A 34 -5.014 -4.418 -0.049 1.00 0.00 C ATOM 438 O PHE A 34 -4.883 -5.534 0.455 1.00 0.00 O ATOM 439 CB PHE A 34 -4.731 -2.268 1.200 1.00 0.00 C ATOM 440 CG PHE A 34 -5.438 -2.891 2.370 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.718 -3.482 3.396 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.822 -2.885 2.444 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.365 -4.055 4.474 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.474 -3.457 3.520 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.745 -4.043 4.536 1.00 0.00 C ATOM 0 H PHE A 34 -3.977 -1.723 -1.107 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.186 -3.711 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.986 -1.563 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.450 -1.694 0.615 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.639 -3.495 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.397 -2.428 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.792 -4.512 5.268 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.553 -3.446 3.566 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.253 -4.491 5.377 1.00 0.00 H new ATOM 455 N LYS A 35 -5.986 -4.121 -0.904 1.00 0.00 N ATOM 456 CA LYS A 35 -6.977 -5.110 -1.311 1.00 0.00 C ATOM 457 C LYS A 35 -6.333 -6.215 -2.142 1.00 0.00 C ATOM 458 O LYS A 35 -6.333 -7.381 -1.748 1.00 0.00 O ATOM 459 CB LYS A 35 -8.097 -4.441 -2.111 1.00 0.00 C ATOM 460 CG LYS A 35 -8.793 -5.378 -3.083 1.00 0.00 C ATOM 461 CD LYS A 35 -9.691 -4.618 -4.044 1.00 0.00 C ATOM 462 CE LYS A 35 -10.582 -5.561 -4.839 1.00 0.00 C ATOM 463 NZ LYS A 35 -11.171 -4.893 -6.033 1.00 0.00 N ATOM 0 H LYS A 35 -6.109 -3.202 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.399 -5.556 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.835 -4.036 -1.418 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.683 -3.598 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.047 -5.938 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.386 -6.105 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.310 -3.915 -3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.079 -4.031 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.002 -6.427 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.382 -5.931 -4.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.771 -5.568 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.746 -4.081 -5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.408 -4.562 -6.657 1.00 0.00 H new ATOM 477 N ARG A 36 -5.785 -5.840 -3.293 1.00 0.00 N ATOM 478 CA ARG A 36 -5.137 -6.800 -4.180 1.00 0.00 C ATOM 479 C ARG A 36 -4.435 -7.892 -3.378 1.00 0.00 C ATOM 480 O ARG A 36 -4.382 -9.047 -3.799 1.00 0.00 O ATOM 481 CB ARG A 36 -4.131 -6.090 -5.087 1.00 0.00 C ATOM 482 CG ARG A 36 -2.808 -5.780 -4.404 1.00 0.00 C ATOM 483 CD ARG A 36 -1.731 -5.419 -5.414 1.00 0.00 C ATOM 484 NE ARG A 36 -0.407 -5.347 -4.801 1.00 0.00 N ATOM 485 CZ ARG A 36 0.726 -5.465 -5.484 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.697 -5.658 -6.795 1.00 0.00 N ATOM 487 NH2 ARG A 36 1.892 -5.389 -4.855 1.00 0.00 N ATOM 0 H ARG A 36 -5.777 -4.879 -3.634 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.906 -7.264 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.942 -6.712 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.572 -5.160 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.943 -4.955 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.487 -6.643 -3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.721 -6.160 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.971 -4.460 -5.872 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.349 -5.198 -3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.197 -5.716 -7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.569 -5.748 -7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.919 -5.240 -3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.762 -5.480 -5.380 1.00 0.00 H new ATOM 501 N SER A 37 -3.896 -7.517 -2.222 1.00 0.00 N ATOM 502 CA SER A 37 -3.193 -8.463 -1.364 1.00 0.00 C ATOM 503 C SER A 37 -4.173 -9.220 -0.473 1.00 0.00 C ATOM 504 O SER A 37 -4.149 -10.449 -0.409 1.00 0.00 O ATOM 505 CB SER A 37 -2.162 -7.733 -0.502 1.00 0.00 C ATOM 506 OG SER A 37 -2.723 -6.577 0.096 1.00 0.00 O ATOM 0 H SER A 37 -3.933 -6.565 -1.858 1.00 0.00 H new ATOM 0 HA SER A 37 -2.679 -9.182 -2.002 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.791 -8.404 0.273 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.306 -7.450 -1.115 1.00 0.00 H new ATOM 0 HG SER A 37 -3.672 -6.514 -0.140 1.00 0.00 H new ATOM 512 N VAL A 38 -5.035 -8.477 0.214 1.00 0.00 N ATOM 513 CA VAL A 38 -6.024 -9.076 1.101 1.00 0.00 C ATOM 514 C VAL A 38 -7.027 -9.916 0.318 1.00 0.00 C ATOM 515 O VAL A 38 -7.177 -11.113 0.565 1.00 0.00 O ATOM 516 CB VAL A 38 -6.785 -8.002 1.901 1.00 0.00 C ATOM 517 CG1 VAL A 38 -7.956 -8.622 2.648 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.846 -7.290 2.862 1.00 0.00 C ATOM 0 H VAL A 38 -5.068 -7.458 0.173 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.480 -9.717 1.794 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.181 -7.265 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.482 -7.848 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.640 -9.082 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.587 -9.381 3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.400 -6.534 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.420 -8.013 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.044 -6.811 2.300 1.00 0.00 H new ATOM 528 N ARG A 39 -7.711 -9.281 -0.628 1.00 0.00 N ATOM 529 CA ARG A 39 -8.701 -9.970 -1.448 1.00 0.00 C ATOM 530 C ARG A 39 -8.115 -11.243 -2.053 1.00 0.00 C ATOM 531 O ARG A 39 -8.832 -12.214 -2.294 1.00 0.00 O ATOM 532 CB ARG A 39 -9.204 -9.048 -2.560 1.00 0.00 C ATOM 533 CG ARG A 39 -8.161 -8.755 -3.626 1.00 0.00 C ATOM 534 CD ARG A 39 -8.232 -9.760 -4.766 1.00 0.00 C ATOM 535 NE ARG A 39 -9.597 -9.942 -5.251 1.00 0.00 N ATOM 536 CZ ARG A 39 -9.983 -10.976 -5.990 1.00 0.00 C ATOM 537 NH1 ARG A 39 -9.110 -11.916 -6.327 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.243 -11.072 -6.394 1.00 0.00 N ATOM 0 H ARG A 39 -7.598 -8.291 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.539 -10.245 -0.807 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.075 -9.503 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.535 -8.108 -2.119 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.311 -7.749 -4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.167 -8.779 -3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.598 -9.423 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.836 -10.718 -4.430 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.293 -9.236 -5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.140 -11.846 -6.019 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.408 -12.709 -6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.917 -10.351 -6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.537 -11.867 -6.961 1.00 0.00 H new ATOM 552 N ARG A 40 -6.809 -11.229 -2.297 1.00 0.00 N ATOM 553 CA ARG A 40 -6.127 -12.380 -2.875 1.00 0.00 C ATOM 554 C ARG A 40 -5.549 -13.275 -1.783 1.00 0.00 C ATOM 555 O ARG A 40 -5.140 -14.405 -2.045 1.00 0.00 O ATOM 556 CB ARG A 40 -5.012 -11.920 -3.816 1.00 0.00 C ATOM 557 CG ARG A 40 -5.521 -11.337 -5.124 1.00 0.00 C ATOM 558 CD ARG A 40 -4.437 -11.334 -6.191 1.00 0.00 C ATOM 559 NE ARG A 40 -3.982 -12.683 -6.513 1.00 0.00 N ATOM 560 CZ ARG A 40 -3.425 -13.014 -7.674 1.00 0.00 C ATOM 561 NH1 ARG A 40 -3.255 -12.097 -8.616 1.00 0.00 N ATOM 562 NH2 ARG A 40 -3.037 -14.263 -7.892 1.00 0.00 N ATOM 0 H ARG A 40 -6.202 -10.433 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.858 -12.956 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.404 -11.172 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.360 -12.766 -4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.376 -11.916 -5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.872 -10.319 -4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.818 -10.855 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.591 -10.739 -5.847 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.098 -13.412 -5.809 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.552 -11.135 -8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.827 -12.353 -9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.166 -14.971 -7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.610 -14.516 -8.783 1.00 0.00 H new ATOM 576 N ASN A 41 -5.519 -12.761 -0.558 1.00 0.00 N ATOM 577 CA ASN A 41 -4.990 -13.512 0.574 1.00 0.00 C ATOM 578 C ASN A 41 -3.501 -13.792 0.394 1.00 0.00 C ATOM 579 O ASN A 41 -3.020 -14.883 0.704 1.00 0.00 O ATOM 580 CB ASN A 41 -5.751 -14.829 0.739 1.00 0.00 C ATOM 581 CG ASN A 41 -6.944 -14.696 1.665 1.00 0.00 C ATOM 582 OD1 ASN A 41 -8.071 -15.027 1.296 1.00 0.00 O ATOM 583 ND2 ASN A 41 -6.701 -14.208 2.876 1.00 0.00 N ATOM 0 H ASN A 41 -5.855 -11.827 -0.324 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.122 -12.908 1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.090 -15.174 -0.238 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.075 -15.590 1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.464 -14.095 3.543 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.751 -13.947 3.139 1.00 0.00 H new ATOM 590 N LEU A 42 -2.775 -12.799 -0.109 1.00 0.00 N ATOM 591 CA LEU A 42 -1.340 -12.937 -0.331 1.00 0.00 C ATOM 592 C LEU A 42 -0.564 -12.707 0.962 1.00 0.00 C ATOM 593 O LEU A 42 -1.142 -12.359 1.992 1.00 0.00 O ATOM 594 CB LEU A 42 -0.872 -11.950 -1.402 1.00 0.00 C ATOM 595 CG LEU A 42 -1.777 -11.809 -2.626 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.207 -10.787 -3.597 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.960 -13.155 -3.312 1.00 0.00 C ATOM 0 H LEU A 42 -3.157 -11.890 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.147 -13.954 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.763 -10.969 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.118 -12.255 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.754 -11.458 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.865 -10.700 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.129 -9.819 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.218 -11.108 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.607 -13.035 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.990 -13.535 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.414 -13.860 -2.615 1.00 0.00 H new ATOM 609 N THR A 43 0.749 -12.902 0.901 1.00 0.00 N ATOM 610 CA THR A 43 1.604 -12.715 2.067 1.00 0.00 C ATOM 611 C THR A 43 3.066 -12.572 1.658 1.00 0.00 C ATOM 612 O THR A 43 3.680 -13.520 1.168 1.00 0.00 O ATOM 613 CB THR A 43 1.472 -13.889 3.055 1.00 0.00 C ATOM 614 OG1 THR A 43 0.090 -14.146 3.328 1.00 0.00 O ATOM 615 CG2 THR A 43 2.203 -13.588 4.354 1.00 0.00 C ATOM 0 H THR A 43 1.244 -13.189 0.057 1.00 0.00 H new ATOM 0 HA THR A 43 1.274 -11.799 2.557 1.00 0.00 H new ATOM 0 HB THR A 43 1.922 -14.771 2.599 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.428 -13.326 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.096 -14.432 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.260 -13.421 4.147 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.778 -12.695 4.812 1.00 0.00 H new ATOM 623 N TYR A 44 3.619 -11.382 1.864 1.00 0.00 N ATOM 624 CA TYR A 44 5.009 -11.115 1.516 1.00 0.00 C ATOM 625 C TYR A 44 5.929 -11.377 2.704 1.00 0.00 C ATOM 626 O TYR A 44 5.570 -11.117 3.853 1.00 0.00 O ATOM 627 CB TYR A 44 5.169 -9.669 1.042 1.00 0.00 C ATOM 628 CG TYR A 44 4.041 -9.194 0.155 1.00 0.00 C ATOM 629 CD1 TYR A 44 4.016 -9.509 -1.198 1.00 0.00 C ATOM 630 CD2 TYR A 44 3.001 -8.429 0.669 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.988 -9.076 -2.013 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.968 -7.994 -0.138 1.00 0.00 C ATOM 633 CZ TYR A 44 1.966 -8.320 -1.478 1.00 0.00 C ATOM 634 OH TYR A 44 0.939 -7.887 -2.286 1.00 0.00 O ATOM 0 H TYR A 44 3.126 -10.587 2.270 1.00 0.00 H new ATOM 0 HA TYR A 44 5.290 -11.789 0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.236 -9.016 1.912 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.110 -9.575 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.814 -10.102 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.000 -8.170 1.718 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.985 -9.328 -3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.166 -7.402 0.278 1.00 0.00 H new ATOM 0 HH TYR A 44 0.800 -8.530 -3.012 1.00 0.00 H new ATOM 644 N THR A 45 7.120 -11.895 2.419 1.00 0.00 N ATOM 645 CA THR A 45 8.093 -12.194 3.463 1.00 0.00 C ATOM 646 C THR A 45 9.183 -11.131 3.519 1.00 0.00 C ATOM 647 O THR A 45 10.109 -11.132 2.706 1.00 0.00 O ATOM 648 CB THR A 45 8.745 -13.572 3.244 1.00 0.00 C ATOM 649 OG1 THR A 45 7.744 -14.596 3.252 1.00 0.00 O ATOM 650 CG2 THR A 45 9.780 -13.858 4.322 1.00 0.00 C ATOM 0 H THR A 45 7.434 -12.116 1.474 1.00 0.00 H new ATOM 0 HA THR A 45 7.550 -12.203 4.408 1.00 0.00 H new ATOM 0 HB THR A 45 9.245 -13.563 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.167 -15.468 3.110 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.227 -14.837 4.147 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.557 -13.094 4.293 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.299 -13.849 5.300 1.00 0.00 H new ATOM 658 N CYS A 46 9.070 -10.224 4.483 1.00 0.00 N ATOM 659 CA CYS A 46 10.047 -9.154 4.646 1.00 0.00 C ATOM 660 C CYS A 46 11.434 -9.722 4.927 1.00 0.00 C ATOM 661 O CYS A 46 11.691 -10.255 6.007 1.00 0.00 O ATOM 662 CB CYS A 46 9.626 -8.220 5.783 1.00 0.00 C ATOM 663 SG CYS A 46 10.758 -6.818 6.050 1.00 0.00 S ATOM 0 H CYS A 46 8.311 -10.209 5.164 1.00 0.00 H new ATOM 0 HA CYS A 46 10.088 -8.588 3.715 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.629 -7.833 5.571 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.555 -8.797 6.705 1.00 0.00 H new ATOM 0 HG CYS A 46 10.070 -5.755 6.344 1.00 0.00 H new ATOM 668 N ARG A 47 12.325 -9.605 3.948 1.00 0.00 N ATOM 669 CA ARG A 47 13.687 -10.108 4.089 1.00 0.00 C ATOM 670 C ARG A 47 14.472 -9.276 5.099 1.00 0.00 C ATOM 671 O ARG A 47 15.589 -9.629 5.474 1.00 0.00 O ATOM 672 CB ARG A 47 14.401 -10.094 2.736 1.00 0.00 C ATOM 673 CG ARG A 47 15.432 -11.200 2.581 1.00 0.00 C ATOM 674 CD ARG A 47 14.794 -12.491 2.092 1.00 0.00 C ATOM 675 NE ARG A 47 14.380 -13.350 3.199 1.00 0.00 N ATOM 676 CZ ARG A 47 15.186 -14.222 3.794 1.00 0.00 C ATOM 677 NH1 ARG A 47 16.443 -14.350 3.391 1.00 0.00 N ATOM 678 NH2 ARG A 47 14.735 -14.968 4.795 1.00 0.00 N ATOM 0 H ARG A 47 12.129 -9.166 3.048 1.00 0.00 H new ATOM 0 HA ARG A 47 13.633 -11.134 4.453 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.660 -10.186 1.942 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.892 -9.130 2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.203 -10.885 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.925 -11.376 3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.929 -12.256 1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.501 -13.029 1.461 1.00 0.00 H new ATOM 0 HE ARG A 47 13.419 -13.276 3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.793 -13.778 2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.060 -15.020 3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.769 -14.872 5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.355 -15.637 5.251 1.00 0.00 H new ATOM 692 N ALA A 48 13.878 -8.169 5.534 1.00 0.00 N ATOM 693 CA ALA A 48 14.521 -7.288 6.501 1.00 0.00 C ATOM 694 C ALA A 48 13.996 -7.542 7.910 1.00 0.00 C ATOM 695 O ALA A 48 13.252 -8.494 8.142 1.00 0.00 O ATOM 696 CB ALA A 48 14.308 -5.832 6.112 1.00 0.00 C ATOM 0 H ALA A 48 12.953 -7.862 5.232 1.00 0.00 H new ATOM 0 HA ALA A 48 15.590 -7.502 6.495 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.793 -5.185 6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.737 -5.652 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.240 -5.614 6.088 1.00 0.00 H new ATOM 702 N ASN A 49 14.390 -6.686 8.847 1.00 0.00 N ATOM 703 CA ASN A 49 13.959 -6.820 10.234 1.00 0.00 C ATOM 704 C ASN A 49 12.551 -6.264 10.423 1.00 0.00 C ATOM 705 O ASN A 49 12.230 -5.701 11.470 1.00 0.00 O ATOM 706 CB ASN A 49 14.935 -6.096 11.165 1.00 0.00 C ATOM 707 CG ASN A 49 16.383 -6.376 10.814 1.00 0.00 C ATOM 708 OD1 ASN A 49 17.186 -5.454 10.663 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.725 -7.652 10.683 1.00 0.00 N ATOM 0 H ASN A 49 15.007 -5.893 8.671 1.00 0.00 H new ATOM 0 HA ASN A 49 13.947 -7.881 10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.753 -5.023 11.115 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.747 -6.403 12.194 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.686 -7.901 10.448 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.027 -8.383 10.817 1.00 0.00 H new ATOM 716 N ARG A 50 11.715 -6.425 9.402 1.00 0.00 N ATOM 717 CA ARG A 50 10.342 -5.939 9.455 1.00 0.00 C ATOM 718 C ARG A 50 10.286 -4.530 10.039 1.00 0.00 C ATOM 719 O ARG A 50 9.299 -4.144 10.663 1.00 0.00 O ATOM 720 CB ARG A 50 9.476 -6.883 10.291 1.00 0.00 C ATOM 721 CG ARG A 50 9.334 -8.272 9.690 1.00 0.00 C ATOM 722 CD ARG A 50 8.604 -9.215 10.633 1.00 0.00 C ATOM 723 NE ARG A 50 8.945 -10.613 10.382 1.00 0.00 N ATOM 724 CZ ARG A 50 8.365 -11.354 9.445 1.00 0.00 C ATOM 725 NH1 ARG A 50 7.420 -10.833 8.674 1.00 0.00 N ATOM 726 NH2 ARG A 50 8.730 -12.618 9.277 1.00 0.00 N ATOM 0 H ARG A 50 11.965 -6.888 8.528 1.00 0.00 H new ATOM 0 HA ARG A 50 9.955 -5.908 8.437 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.907 -6.970 11.288 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.485 -6.444 10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.792 -8.208 8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.321 -8.674 9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.852 -8.961 11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.528 -9.079 10.521 1.00 0.00 H new ATOM 0 HE ARG A 50 9.668 -11.044 10.958 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.137 -9.861 8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.976 -11.404 7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.457 -13.022 9.868 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.284 -13.186 8.557 1.00 0.00 H new ATOM 740 N ASN A 51 11.354 -3.766 9.831 1.00 0.00 N ATOM 741 CA ASN A 51 11.427 -2.400 10.337 1.00 0.00 C ATOM 742 C ASN A 51 11.647 -1.409 9.198 1.00 0.00 C ATOM 743 O ASN A 51 12.133 -0.298 9.412 1.00 0.00 O ATOM 744 CB ASN A 51 12.556 -2.274 11.363 1.00 0.00 C ATOM 745 CG ASN A 51 13.906 -2.048 10.712 1.00 0.00 C ATOM 746 OD1 ASN A 51 14.371 -3.034 9.954 1.00 0.00 O flip ATOM 747 ND2 ASN A 51 14.524 -0.998 10.888 1.00 0.00 N flip ATOM 0 H ASN A 51 12.180 -4.070 9.316 1.00 0.00 H new ATOM 0 HA ASN A 51 10.478 -2.166 10.820 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.339 -1.447 12.039 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.595 -3.179 11.969 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.129 -0.266 11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 51 15.431 -0.859 10.443 1.00 0.00 H new ATOM 754 N CYS A 52 11.286 -1.819 7.987 1.00 0.00 N ATOM 755 CA CYS A 52 11.443 -0.968 6.813 1.00 0.00 C ATOM 756 C CYS A 52 10.569 0.278 6.923 1.00 0.00 C ATOM 757 O CYS A 52 9.374 0.205 7.211 1.00 0.00 O ATOM 758 CB CYS A 52 11.086 -1.744 5.544 1.00 0.00 C ATOM 759 SG CYS A 52 11.737 -3.445 5.504 1.00 0.00 S ATOM 0 H CYS A 52 10.883 -2.735 7.793 1.00 0.00 H new ATOM 0 HA CYS A 52 12.486 -0.655 6.759 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.001 -1.779 5.446 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.467 -1.200 4.679 1.00 0.00 H new ATOM 0 HG CYS A 52 10.917 -4.208 4.844 1.00 0.00 H new ATOM 764 N PRO A 53 11.177 1.450 6.689 1.00 0.00 N ATOM 765 CA PRO A 53 10.474 2.734 6.755 1.00 0.00 C ATOM 766 C PRO A 53 9.480 2.910 5.613 1.00 0.00 C ATOM 767 O PRO A 53 9.870 3.161 4.472 1.00 0.00 O ATOM 768 CB PRO A 53 11.602 3.763 6.646 1.00 0.00 C ATOM 769 CG PRO A 53 12.693 3.053 5.922 1.00 0.00 C ATOM 770 CD PRO A 53 12.599 1.612 6.341 1.00 0.00 C ATOM 0 HA PRO A 53 9.881 2.827 7.665 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.278 4.650 6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.931 4.096 7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.575 3.154 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.667 3.471 6.177 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.895 0.939 5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.248 1.397 7.190 1.00 0.00 H new ATOM 778 N ILE A 54 8.195 2.777 5.926 1.00 0.00 N ATOM 779 CA ILE A 54 7.146 2.924 4.925 1.00 0.00 C ATOM 780 C ILE A 54 6.736 4.384 4.768 1.00 0.00 C ATOM 781 O ILE A 54 6.174 4.984 5.685 1.00 0.00 O ATOM 782 CB ILE A 54 5.903 2.089 5.286 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.278 0.613 5.432 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.823 2.264 4.229 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.931 0.030 4.198 1.00 0.00 C ATOM 0 H ILE A 54 7.856 2.568 6.865 1.00 0.00 H new ATOM 0 HA ILE A 54 7.556 2.562 3.982 1.00 0.00 H new ATOM 0 HB ILE A 54 5.511 2.441 6.240 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.955 0.501 6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.380 0.040 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.951 1.668 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.540 3.315 4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.203 1.935 3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.169 -1.019 4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.248 0.110 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.847 0.578 3.978 1.00 0.00 H new ATOM 797 N ASP A 55 7.018 4.950 3.599 1.00 0.00 N ATOM 798 CA ASP A 55 6.676 6.339 3.320 1.00 0.00 C ATOM 799 C ASP A 55 6.255 6.513 1.864 1.00 0.00 C ATOM 800 O ASP A 55 6.252 5.556 1.091 1.00 0.00 O ATOM 801 CB ASP A 55 7.863 7.252 3.633 1.00 0.00 C ATOM 802 CG ASP A 55 7.846 7.753 5.064 1.00 0.00 C ATOM 803 OD1 ASP A 55 6.744 8.029 5.582 1.00 0.00 O ATOM 804 OD2 ASP A 55 8.935 7.871 5.664 1.00 0.00 O ATOM 0 H ASP A 55 7.483 4.468 2.830 1.00 0.00 H new ATOM 0 HA ASP A 55 5.837 6.616 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.792 6.711 3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.852 8.104 2.953 1.00 0.00 H new ATOM 809 N GLN A 56 5.899 7.741 1.499 1.00 0.00 N ATOM 810 CA GLN A 56 5.474 8.039 0.137 1.00 0.00 C ATOM 811 C GLN A 56 6.643 8.549 -0.699 1.00 0.00 C ATOM 812 O GLN A 56 7.010 7.944 -1.706 1.00 0.00 O ATOM 813 CB GLN A 56 4.348 9.074 0.146 1.00 0.00 C ATOM 814 CG GLN A 56 4.241 9.868 -1.146 1.00 0.00 C ATOM 815 CD GLN A 56 4.406 9.002 -2.379 1.00 0.00 C ATOM 816 OE1 GLN A 56 5.259 9.266 -3.227 1.00 0.00 O ATOM 817 NE2 GLN A 56 3.590 7.960 -2.485 1.00 0.00 N ATOM 0 H GLN A 56 5.897 8.545 2.127 1.00 0.00 H new ATOM 0 HA GLN A 56 5.106 7.116 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.401 8.567 0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.507 9.764 0.975 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.272 10.365 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.001 10.650 -1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.898 7.779 -1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.656 7.341 -3.293 1.00 0.00 H new ATOM 915 N CYS A 62 9.149 -1.536 1.109 1.00 0.00 N ATOM 916 CA CYS A 62 8.915 -2.929 1.470 1.00 0.00 C ATOM 917 C CYS A 62 7.489 -3.348 1.124 1.00 0.00 C ATOM 918 O CYS A 62 6.588 -2.514 1.046 1.00 0.00 O ATOM 919 CB CYS A 62 9.173 -3.140 2.963 1.00 0.00 C ATOM 920 SG CYS A 62 8.920 -4.854 3.526 1.00 0.00 S ATOM 0 HA CYS A 62 9.606 -3.548 0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.197 -2.842 3.190 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.516 -2.481 3.531 1.00 0.00 H new ATOM 0 HG CYS A 62 8.802 -4.873 4.820 1.00 0.00 H new ATOM 925 N GLN A 63 7.294 -4.647 0.919 1.00 0.00 N ATOM 926 CA GLN A 63 5.978 -5.177 0.582 1.00 0.00 C ATOM 927 C GLN A 63 5.217 -5.586 1.838 1.00 0.00 C ATOM 928 O GLN A 63 4.109 -5.111 2.088 1.00 0.00 O ATOM 929 CB GLN A 63 6.114 -6.375 -0.360 1.00 0.00 C ATOM 930 CG GLN A 63 6.142 -5.993 -1.831 1.00 0.00 C ATOM 931 CD GLN A 63 6.204 -7.200 -2.746 1.00 0.00 C ATOM 932 OE1 GLN A 63 5.197 -7.603 -3.329 1.00 0.00 O ATOM 933 NE2 GLN A 63 7.389 -7.783 -2.878 1.00 0.00 N ATOM 0 H GLN A 63 8.030 -5.351 0.980 1.00 0.00 H new ATOM 0 HA GLN A 63 5.415 -4.390 0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 63 7.028 -6.916 -0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.283 -7.059 -0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.253 -5.408 -2.067 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.004 -5.354 -2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.197 -7.415 -2.376 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.492 -8.599 -3.482 1.00 0.00 H new ATOM 942 N TYR A 64 5.819 -6.470 2.626 1.00 0.00 N ATOM 943 CA TYR A 64 5.197 -6.946 3.856 1.00 0.00 C ATOM 944 C TYR A 64 4.923 -5.788 4.811 1.00 0.00 C ATOM 945 O TYR A 64 3.778 -5.535 5.187 1.00 0.00 O ATOM 946 CB TYR A 64 6.092 -7.983 4.537 1.00 0.00 C ATOM 947 CG TYR A 64 5.933 -8.025 6.040 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.688 -7.197 6.862 1.00 0.00 C ATOM 949 CD2 TYR A 64 5.028 -8.893 6.639 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.547 -7.233 8.236 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.880 -8.935 8.012 1.00 0.00 C ATOM 952 CZ TYR A 64 5.642 -8.103 8.806 1.00 0.00 C ATOM 953 OH TYR A 64 5.497 -8.141 10.174 1.00 0.00 O ATOM 0 H TYR A 64 6.737 -6.871 2.435 1.00 0.00 H new ATOM 0 HA TYR A 64 4.246 -7.412 3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.868 -8.968 4.129 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.133 -7.767 4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.397 -6.514 6.419 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.430 -9.546 6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.142 -6.583 8.860 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.172 -9.615 8.461 1.00 0.00 H new ATOM 0 HH TYR A 64 6.106 -7.492 10.586 1.00 0.00 H new ATOM 963 N CYS A 65 5.983 -5.087 5.200 1.00 0.00 N ATOM 964 CA CYS A 65 5.859 -3.956 6.111 1.00 0.00 C ATOM 965 C CYS A 65 4.739 -3.020 5.667 1.00 0.00 C ATOM 966 O CYS A 65 3.841 -2.697 6.445 1.00 0.00 O ATOM 967 CB CYS A 65 7.181 -3.188 6.185 1.00 0.00 C ATOM 968 SG CYS A 65 8.493 -4.053 7.107 1.00 0.00 S ATOM 0 H CYS A 65 6.937 -5.283 4.898 1.00 0.00 H new ATOM 0 HA CYS A 65 5.614 -4.343 7.100 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.532 -2.992 5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.001 -2.220 6.653 1.00 0.00 H new ATOM 0 HG CYS A 65 9.640 -3.837 6.535 1.00 0.00 H new ATOM 973 N ARG A 66 4.798 -2.588 4.412 1.00 0.00 N ATOM 974 CA ARG A 66 3.790 -1.689 3.865 1.00 0.00 C ATOM 975 C ARG A 66 2.400 -2.311 3.955 1.00 0.00 C ATOM 976 O ARG A 66 1.482 -1.727 4.532 1.00 0.00 O ATOM 977 CB ARG A 66 4.114 -1.349 2.409 1.00 0.00 C ATOM 978 CG ARG A 66 3.106 -0.413 1.762 1.00 0.00 C ATOM 979 CD ARG A 66 3.574 0.049 0.391 1.00 0.00 C ATOM 980 NE ARG A 66 2.580 0.886 -0.274 1.00 0.00 N ATOM 981 CZ ARG A 66 2.694 1.309 -1.528 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.755 0.973 -2.249 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.747 2.068 -2.062 1.00 0.00 N ATOM 0 H ARG A 66 5.534 -2.846 3.755 1.00 0.00 H new ATOM 0 HA ARG A 66 3.799 -0.773 4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.103 -0.892 2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.162 -2.272 1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.146 -0.920 1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.948 0.453 2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.505 0.606 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.790 -0.820 -0.230 1.00 0.00 H new ATOM 0 HE ARG A 66 1.752 1.161 0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.485 0.389 -1.841 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.841 1.299 -3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.930 2.328 -1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.836 2.392 -3.025 1.00 0.00 H new ATOM 997 N LEU A 67 2.251 -3.500 3.380 1.00 0.00 N ATOM 998 CA LEU A 67 0.973 -4.203 3.395 1.00 0.00 C ATOM 999 C LEU A 67 0.407 -4.274 4.810 1.00 0.00 C ATOM 1000 O LEU A 67 -0.775 -4.010 5.032 1.00 0.00 O ATOM 1001 CB LEU A 67 1.138 -5.613 2.827 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.012 -6.584 3.098 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.135 -7.216 4.474 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.352 -5.872 2.977 1.00 0.00 C ATOM 0 H LEU A 67 3.000 -3.997 2.898 1.00 0.00 H new ATOM 0 HA LEU A 67 0.273 -3.647 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.275 -5.535 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.053 -6.042 3.234 1.00 0.00 H new ATOM 0 HG LEU A 67 0.025 -7.377 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.692 -7.904 4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.077 -7.762 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.126 -6.436 5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.158 -6.579 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.398 -5.058 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.460 -5.468 1.970 1.00 0.00 H new ATOM 1016 N LYS A 68 1.259 -4.632 5.764 1.00 0.00 N ATOM 1017 CA LYS A 68 0.847 -4.735 7.159 1.00 0.00 C ATOM 1018 C LYS A 68 0.402 -3.379 7.697 1.00 0.00 C ATOM 1019 O LYS A 68 -0.688 -3.247 8.253 1.00 0.00 O ATOM 1020 CB LYS A 68 1.993 -5.283 8.012 1.00 0.00 C ATOM 1021 CG LYS A 68 2.243 -6.768 7.813 1.00 0.00 C ATOM 1022 CD LYS A 68 1.123 -7.607 8.407 1.00 0.00 C ATOM 1023 CE LYS A 68 1.162 -9.036 7.887 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.192 -9.912 8.601 1.00 0.00 N ATOM 0 H LYS A 68 2.240 -4.856 5.597 1.00 0.00 H new ATOM 0 HA LYS A 68 0.002 -5.422 7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.905 -4.735 7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.773 -5.098 9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.334 -6.983 6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.190 -7.044 8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.207 -7.612 9.494 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.161 -7.156 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.939 -9.041 6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.169 -9.438 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.249 -10.877 8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.420 -9.928 9.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.771 -9.543 8.469 1.00 0.00 H new ATOM 1038 N LYS A 69 1.253 -2.373 7.527 1.00 0.00 N ATOM 1039 CA LYS A 69 0.948 -1.025 7.992 1.00 0.00 C ATOM 1040 C LYS A 69 -0.536 -0.714 7.822 1.00 0.00 C ATOM 1041 O LYS A 69 -1.108 0.064 8.587 1.00 0.00 O ATOM 1042 CB LYS A 69 1.786 0.003 7.229 1.00 0.00 C ATOM 1043 CG LYS A 69 1.359 1.439 7.475 1.00 0.00 C ATOM 1044 CD LYS A 69 2.543 2.390 7.419 1.00 0.00 C ATOM 1045 CE LYS A 69 3.173 2.577 8.791 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.464 3.314 8.713 1.00 0.00 N ATOM 0 H LYS A 69 2.160 -2.466 7.070 1.00 0.00 H new ATOM 0 HA LYS A 69 1.194 -0.969 9.052 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.832 -0.110 7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.722 -0.209 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.620 1.733 6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.876 1.514 8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.289 2.004 6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.217 3.356 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.483 3.121 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.338 1.603 9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.717 3.672 9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.210 2.673 8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.368 4.113 8.054 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.153 -1.326 6.818 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.570 -1.114 6.548 1.00 0.00 C ATOM 1062 C CYS A 70 -3.423 -1.589 7.720 1.00 0.00 C ATOM 1063 O CYS A 70 -4.194 -0.818 8.294 1.00 0.00 O ATOM 1064 CB CYS A 70 -2.983 -1.847 5.271 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.038 -1.367 3.806 1.00 0.00 S ATOM 0 H CYS A 70 -0.694 -1.973 6.177 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.733 -0.045 6.413 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.870 -2.920 5.428 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.041 -1.662 5.085 1.00 0.00 H new ATOM 0 HG CYS A 70 -0.767 -1.469 4.057 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.282 -2.863 8.070 1.00 0.00 N ATOM 1072 CA LEU A 71 -4.041 -3.442 9.173 1.00 0.00 C ATOM 1073 C LEU A 71 -3.729 -2.727 10.484 1.00 0.00 C ATOM 1074 O LEU A 71 -4.480 -2.829 11.454 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.727 -4.933 9.306 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.820 -5.756 8.020 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -2.981 -7.020 8.133 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.269 -6.101 7.712 1.00 0.00 C ATOM 0 H LEU A 71 -2.649 -3.515 7.606 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.102 -3.317 8.956 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.719 -5.037 9.708 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.409 -5.363 10.039 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.428 -5.157 7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.060 -7.593 7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.939 -6.751 8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.343 -7.623 8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.316 -6.687 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.688 -6.681 8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.843 -5.183 7.587 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.616 -2.000 10.505 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.206 -1.264 11.694 1.00 0.00 C ATOM 1092 C LYS A 72 -2.907 0.089 11.766 1.00 0.00 C ATOM 1093 O LYS A 72 -3.624 0.377 12.725 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.688 -1.064 11.697 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.163 -0.413 12.965 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.104 1.099 12.832 1.00 0.00 C ATOM 1097 CE LYS A 72 1.067 1.538 11.966 1.00 0.00 C ATOM 1098 NZ LYS A 72 2.349 1.535 12.724 1.00 0.00 N ATOM 0 H LYS A 72 -1.982 -1.905 9.711 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.492 -1.848 12.569 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.202 -2.031 11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.409 -0.450 10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.804 -0.681 13.805 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.832 -0.799 13.188 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.035 1.464 12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.015 1.549 13.821 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.152 0.874 11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.877 2.539 11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.122 1.840 12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.277 2.188 13.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.544 0.575 13.073 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.697 0.914 10.746 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.312 2.235 10.692 1.00 0.00 C ATOM 1114 C VAL A 73 -4.803 2.161 11.002 1.00 0.00 C ATOM 1115 O VAL A 73 -5.398 3.128 11.474 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.118 2.889 9.311 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.638 3.089 9.018 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.775 2.049 8.227 1.00 0.00 C ATOM 0 H VAL A 73 -2.106 0.691 9.945 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.817 2.845 11.447 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.598 3.868 9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.520 3.552 8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.200 3.735 9.779 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.132 2.124 9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.628 2.526 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.326 1.056 8.214 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.842 1.962 8.431 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.401 1.004 10.732 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.818 0.824 10.989 1.00 0.00 C ATOM 1130 C GLY A 74 -7.506 0.020 9.904 1.00 0.00 C ATOM 1131 O GLY A 74 -8.418 -0.758 10.183 1.00 0.00 O ATOM 0 H GLY A 74 -4.929 0.189 10.340 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.949 0.322 11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.296 1.800 11.072 1.00 0.00 H new ATOM 1135 N MET A 75 -7.069 0.207 8.663 1.00 0.00 N ATOM 1136 CA MET A 75 -7.650 -0.507 7.532 1.00 0.00 C ATOM 1137 C MET A 75 -8.124 -1.895 7.952 1.00 0.00 C ATOM 1138 O MET A 75 -7.451 -2.587 8.716 1.00 0.00 O ATOM 1139 CB MET A 75 -6.631 -0.626 6.398 1.00 0.00 C ATOM 1140 CG MET A 75 -6.213 0.714 5.813 1.00 0.00 C ATOM 1141 SD MET A 75 -7.239 1.212 4.417 1.00 0.00 S ATOM 1142 CE MET A 75 -6.603 0.141 3.130 1.00 0.00 C ATOM 0 H MET A 75 -6.314 0.847 8.415 1.00 0.00 H new ATOM 0 HA MET A 75 -8.511 0.061 7.179 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.746 -1.143 6.769 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.053 -1.244 5.605 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.267 1.478 6.589 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.173 0.658 5.493 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.405 0.728 2.233 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.679 -0.326 3.469 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.338 -0.631 2.903 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.287 -2.296 7.448 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.851 -3.601 7.773 1.00 0.00 C ATOM 1154 C ARG A 76 -9.886 -4.500 6.540 1.00 0.00 C ATOM 1155 O ARG A 76 -10.025 -4.021 5.414 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.262 -3.442 8.342 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.268 -2.909 7.336 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.327 -2.049 8.009 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.421 -2.851 8.550 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.645 -2.379 8.758 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -15.930 -1.117 8.470 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -16.587 -3.171 9.253 1.00 0.00 N ATOM 0 H ARG A 76 -9.857 -1.736 6.813 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.214 -4.068 8.524 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.607 -4.408 8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.226 -2.768 9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.750 -2.323 6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.747 -3.743 6.822 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.869 -1.472 8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.724 -1.333 7.289 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.235 -3.827 8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.209 -0.506 8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.871 -0.757 8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.372 -4.143 9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.527 -2.808 9.412 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.758 -5.804 6.761 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.774 -6.769 5.669 1.00 0.00 C ATOM 1178 C ARG A 77 -11.204 -7.156 5.306 1.00 0.00 C ATOM 1179 O ARG A 77 -11.520 -7.375 4.137 1.00 0.00 O ATOM 1180 CB ARG A 77 -8.978 -8.018 6.053 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.510 -7.742 6.334 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.830 -8.943 6.973 1.00 0.00 C ATOM 1183 NE ARG A 77 -6.983 -8.950 8.425 1.00 0.00 N ATOM 1184 CZ ARG A 77 -7.989 -9.546 9.055 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -8.926 -10.180 8.364 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -8.059 -9.508 10.380 1.00 0.00 N ATOM 0 H ARG A 77 -9.642 -6.216 7.687 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.310 -6.304 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.430 -8.469 6.936 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.054 -8.749 5.248 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.002 -7.487 5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.421 -6.878 6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.250 -9.860 6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.770 -8.936 6.720 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.279 -8.471 8.986 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.876 -10.211 7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.697 -10.637 8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.340 -9.021 10.915 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.832 -9.966 10.863 1.00 0.00 H new ATOM 1200 N GLU A 78 -12.064 -7.239 6.316 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.461 -7.601 6.102 1.00 0.00 C ATOM 1202 C GLU A 78 -14.075 -6.763 4.984 1.00 0.00 C ATOM 1203 O GLU A 78 -14.856 -7.264 4.176 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.262 -7.416 7.392 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.204 -6.003 7.948 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.965 -5.857 9.251 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -16.081 -6.407 9.353 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -14.442 -5.193 10.171 1.00 0.00 O ATOM 0 H GLU A 78 -11.819 -7.061 7.290 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.497 -8.650 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.303 -7.681 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.887 -8.109 8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.163 -5.721 8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.614 -5.310 7.213 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.716 -5.484 4.946 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.230 -4.576 3.928 1.00 0.00 C ATOM 1217 C ALA A 79 -13.731 -4.968 2.541 1.00 0.00 C ATOM 1218 O ALA A 79 -14.515 -5.089 1.600 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.832 -3.143 4.249 1.00 0.00 C ATOM 0 H ALA A 79 -13.071 -5.053 5.609 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.318 -4.648 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.223 -2.476 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.243 -2.860 5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.745 -3.065 4.279 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.422 -5.164 2.422 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.818 -5.542 1.150 1.00 0.00 C ATOM 1227 C VAL A 80 -12.754 -6.433 0.341 1.00 0.00 C ATOM 1228 O VAL A 80 -12.833 -6.318 -0.881 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.481 -6.277 1.360 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -9.937 -6.785 0.033 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.474 -5.365 2.044 1.00 0.00 C ATOM 0 H VAL A 80 -11.759 -5.067 3.191 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.634 -4.619 0.600 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.656 -7.137 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.992 -7.302 0.201 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.653 -7.475 -0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.776 -5.943 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.535 -5.900 2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.301 -4.485 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.864 -5.055 3.014 1.00 0.00 H new