USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=24 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 136:sc= -0.0847 USER MOD Set 1.2: A 52 CYS SG : rot 150:sc= -0.352 USER MOD Set 1.3: A 62 CYS SG : rot -164:sc= 0.308 USER MOD Set 1.4: A 65 CYS SG : rot 141:sc= 0.484 USER MOD Set 2.1: A 10 CYS SG : rot 159:sc= 0.736 USER MOD Set 2.2: A 13 CYS SG : rot -42:sc= 1.09 USER MOD Set 2.3: A 27 CYS SG : rot -132:sc= 1.51 USER MOD Set 2.4: A 30 CYS SG : rot 80:sc= 0.604 USER MOD Set 3.1: A 26 THR OG1 : rot -134:sc= 0.114 USER MOD Set 3.2: A 70 CYS SG : rot 150:sc= -0.0377 USER MOD Set 3.3: A 75 MET CE :methyl -135:sc= -2.43! (180deg=-5.08!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -120:sc= 0.0506 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -0.852 X(o=-0.85,f=-1.3) USER MOD Single : A 22 TYR OH : rot -145:sc= 0.00554 USER MOD Single : A 24 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.73) USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= -0.184 (180deg=-0.397) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 15:sc= -0.491 USER MOD Single : A 41 ASN : amide:sc= -0.658 K(o=-0.66,f=-2.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 44 TYR OH : rot 15:sc= -0.0216 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.031) USER MOD Single : A 51 ASN : amide:sc= -1.07 K(o=-1.1,f=-5.1!) USER MOD Single : A 56 GLN : amide:sc= -3.87! C(o=-3.9!,f=-6!) USER MOD Single : A 63 GLN : amide:sc= -2.23! K(o=-2.2!,f=-1.3) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.415) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= -0.0455 (180deg=-0.118) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.296 15.425 2.787 1.00 0.00 N ATOM 67 CA ILE A 8 -6.039 14.216 3.561 1.00 0.00 C ATOM 68 C ILE A 8 -4.812 13.478 3.036 1.00 0.00 C ATOM 69 O ILE A 8 -4.579 13.422 1.829 1.00 0.00 O ATOM 70 CB ILE A 8 -7.248 13.263 3.534 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.543 14.040 3.781 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.078 12.163 4.571 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.789 13.191 3.657 1.00 0.00 C ATOM 0 HA ILE A 8 -5.858 14.531 4.589 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.306 12.801 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.510 14.479 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.603 14.865 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.941 11.497 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.173 11.595 4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.998 12.607 5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.669 13.806 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.846 12.773 2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.751 12.381 4.385 1.00 0.00 H new ATOM 85 N GLU A 9 -4.031 12.913 3.952 1.00 0.00 N ATOM 86 CA GLU A 9 -2.828 12.177 3.580 1.00 0.00 C ATOM 87 C GLU A 9 -3.008 10.682 3.824 1.00 0.00 C ATOM 88 O GLU A 9 -3.925 10.262 4.531 1.00 0.00 O ATOM 89 CB GLU A 9 -1.624 12.693 4.371 1.00 0.00 C ATOM 90 CG GLU A 9 -1.184 14.090 3.968 1.00 0.00 C ATOM 91 CD GLU A 9 -0.649 14.148 2.550 1.00 0.00 C ATOM 92 OE1 GLU A 9 0.555 13.877 2.360 1.00 0.00 O ATOM 93 OE2 GLU A 9 -1.434 14.464 1.632 1.00 0.00 O ATOM 0 H GLU A 9 -4.210 12.951 4.956 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.650 12.335 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.870 12.691 5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.789 12.005 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.028 14.774 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.414 14.437 4.657 1.00 0.00 H new ATOM 100 N CYS A 10 -2.128 9.882 3.232 1.00 0.00 N ATOM 101 CA CYS A 10 -2.188 8.433 3.382 1.00 0.00 C ATOM 102 C CYS A 10 -1.560 7.996 4.703 1.00 0.00 C ATOM 103 O CYS A 10 -0.416 8.339 5.002 1.00 0.00 O ATOM 104 CB CYS A 10 -1.475 7.748 2.215 1.00 0.00 C ATOM 105 SG CYS A 10 -1.543 5.928 2.267 1.00 0.00 S ATOM 0 H CYS A 10 -1.364 10.213 2.643 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.237 8.136 3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.919 8.091 1.280 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.431 8.062 2.206 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.326 5.451 1.077 1.00 0.00 H new ATOM 110 N VAL A 11 -2.317 7.237 5.489 1.00 0.00 N ATOM 111 CA VAL A 11 -1.835 6.752 6.777 1.00 0.00 C ATOM 112 C VAL A 11 -0.833 5.617 6.597 1.00 0.00 C ATOM 113 O VAL A 11 -0.428 4.973 7.564 1.00 0.00 O ATOM 114 CB VAL A 11 -2.996 6.263 7.663 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.873 7.430 8.087 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.814 5.208 6.933 1.00 0.00 C ATOM 0 H VAL A 11 -3.266 6.945 5.257 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.343 7.592 7.268 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.578 5.809 8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.688 7.065 8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.277 8.147 8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.285 7.916 7.202 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.630 4.873 7.573 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.223 5.634 6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.176 4.360 6.685 1.00 0.00 H new ATOM 126 N VAL A 12 -0.438 5.376 5.351 1.00 0.00 N ATOM 127 CA VAL A 12 0.518 4.319 5.043 1.00 0.00 C ATOM 128 C VAL A 12 1.819 4.896 4.497 1.00 0.00 C ATOM 129 O VAL A 12 2.900 4.621 5.018 1.00 0.00 O ATOM 130 CB VAL A 12 -0.058 3.323 4.019 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.937 2.206 3.743 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.382 2.759 4.512 1.00 0.00 C ATOM 0 H VAL A 12 -0.765 5.898 4.538 1.00 0.00 H new ATOM 0 HA VAL A 12 0.721 3.794 5.976 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.241 3.854 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.513 1.512 3.017 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.858 2.630 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.154 1.675 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.775 2.057 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.227 2.243 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.094 3.572 4.654 1.00 0.00 H new ATOM 142 N CYS A 13 1.708 5.700 3.444 1.00 0.00 N ATOM 143 CA CYS A 13 2.875 6.317 2.827 1.00 0.00 C ATOM 144 C CYS A 13 2.816 7.837 2.951 1.00 0.00 C ATOM 145 O CYS A 13 3.804 8.529 2.709 1.00 0.00 O ATOM 146 CB CYS A 13 2.969 5.918 1.353 1.00 0.00 C ATOM 147 SG CYS A 13 1.556 6.468 0.342 1.00 0.00 S ATOM 0 H CYS A 13 0.821 5.939 3.001 1.00 0.00 H new ATOM 0 HA CYS A 13 3.763 5.961 3.350 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.886 6.332 0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.050 4.833 1.286 1.00 0.00 H new ATOM 0 HG CYS A 13 0.452 6.284 1.003 1.00 0.00 H new ATOM 152 N GLY A 14 1.649 8.350 3.330 1.00 0.00 N ATOM 153 CA GLY A 14 1.482 9.783 3.480 1.00 0.00 C ATOM 154 C GLY A 14 0.842 10.423 2.264 1.00 0.00 C ATOM 155 O GLY A 14 0.254 11.500 2.358 1.00 0.00 O ATOM 0 H GLY A 14 0.816 7.798 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.868 9.984 4.358 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.454 10.242 3.659 1.00 0.00 H new ATOM 159 N ASP A 15 0.958 9.760 1.119 1.00 0.00 N ATOM 160 CA ASP A 15 0.387 10.271 -0.122 1.00 0.00 C ATOM 161 C ASP A 15 -1.022 10.808 0.110 1.00 0.00 C ATOM 162 O ASP A 15 -1.815 10.209 0.836 1.00 0.00 O ATOM 163 CB ASP A 15 0.359 9.172 -1.186 1.00 0.00 C ATOM 164 CG ASP A 15 -0.067 9.693 -2.544 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.811 10.149 -3.307 1.00 0.00 O ATOM 166 OD2 ASP A 15 -1.278 9.642 -2.846 1.00 0.00 O ATOM 0 H ASP A 15 1.442 8.867 1.024 1.00 0.00 H new ATOM 0 HA ASP A 15 1.015 11.089 -0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.349 8.723 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.324 8.383 -0.872 1.00 0.00 H new ATOM 171 N LYS A 16 -1.327 11.942 -0.512 1.00 0.00 N ATOM 172 CA LYS A 16 -2.640 12.561 -0.375 1.00 0.00 C ATOM 173 C LYS A 16 -3.749 11.531 -0.559 1.00 0.00 C ATOM 174 O LYS A 16 -4.021 11.090 -1.675 1.00 0.00 O ATOM 175 CB LYS A 16 -2.803 13.690 -1.395 1.00 0.00 C ATOM 176 CG LYS A 16 -3.797 14.756 -0.969 1.00 0.00 C ATOM 177 CD LYS A 16 -3.119 15.872 -0.193 1.00 0.00 C ATOM 178 CE LYS A 16 -3.827 17.203 -0.398 1.00 0.00 C ATOM 179 NZ LYS A 16 -3.338 17.910 -1.614 1.00 0.00 N ATOM 0 H LYS A 16 -0.682 12.451 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.716 12.974 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.833 14.157 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.124 13.265 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.288 15.170 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.575 14.304 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.108 15.624 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.080 15.959 -0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.900 17.034 -0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.672 17.835 0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.845 18.812 -1.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.319 18.094 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.509 17.318 -2.452 1.00 0.00 H new ATOM 193 N SER A 17 -4.388 11.152 0.544 1.00 0.00 N ATOM 194 CA SER A 17 -5.466 10.172 0.504 1.00 0.00 C ATOM 195 C SER A 17 -6.642 10.691 -0.318 1.00 0.00 C ATOM 196 O SER A 17 -7.058 11.839 -0.170 1.00 0.00 O ATOM 197 CB SER A 17 -5.930 9.835 1.923 1.00 0.00 C ATOM 198 OG SER A 17 -7.189 9.184 1.906 1.00 0.00 O ATOM 0 H SER A 17 -4.177 11.509 1.476 1.00 0.00 H new ATOM 0 HA SER A 17 -5.085 9.268 0.029 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.193 9.195 2.408 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.997 10.749 2.514 1.00 0.00 H new ATOM 0 HG SER A 17 -7.839 9.715 2.413 1.00 0.00 H new ATOM 204 N SER A 18 -7.172 9.835 -1.186 1.00 0.00 N ATOM 205 CA SER A 18 -8.298 10.207 -2.035 1.00 0.00 C ATOM 206 C SER A 18 -9.607 10.161 -1.254 1.00 0.00 C ATOM 207 O SER A 18 -10.616 10.723 -1.677 1.00 0.00 O ATOM 208 CB SER A 18 -8.380 9.274 -3.246 1.00 0.00 C ATOM 209 OG SER A 18 -7.606 9.769 -4.324 1.00 0.00 O ATOM 0 H SER A 18 -6.840 8.880 -1.320 1.00 0.00 H new ATOM 0 HA SER A 18 -8.138 11.228 -2.381 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.029 8.280 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.419 9.169 -3.558 1.00 0.00 H new ATOM 0 HG SER A 18 -7.674 9.155 -5.084 1.00 0.00 H new ATOM 215 N GLY A 19 -9.582 9.485 -0.109 1.00 0.00 N ATOM 216 CA GLY A 19 -10.772 9.378 0.715 1.00 0.00 C ATOM 217 C GLY A 19 -10.667 8.269 1.743 1.00 0.00 C ATOM 218 O GLY A 19 -9.583 7.737 1.986 1.00 0.00 O ATOM 0 H GLY A 19 -8.759 9.010 0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.944 10.326 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.637 9.197 0.077 1.00 0.00 H new ATOM 222 N LYS A 20 -11.795 7.919 2.352 1.00 0.00 N ATOM 223 CA LYS A 20 -11.827 6.867 3.360 1.00 0.00 C ATOM 224 C LYS A 20 -11.990 5.496 2.712 1.00 0.00 C ATOM 225 O LYS A 20 -13.099 4.968 2.622 1.00 0.00 O ATOM 226 CB LYS A 20 -12.969 7.114 4.349 1.00 0.00 C ATOM 227 CG LYS A 20 -13.070 6.059 5.437 1.00 0.00 C ATOM 228 CD LYS A 20 -13.732 6.610 6.689 1.00 0.00 C ATOM 229 CE LYS A 20 -12.758 7.432 7.518 1.00 0.00 C ATOM 230 NZ LYS A 20 -13.344 7.834 8.827 1.00 0.00 N ATOM 0 H LYS A 20 -12.700 8.350 2.164 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.879 6.885 3.897 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.832 8.091 4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.911 7.151 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.641 5.207 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.073 5.692 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.585 7.228 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.118 5.787 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.850 6.854 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.469 8.323 6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.649 8.393 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.197 8.407 8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.596 6.984 9.370 1.00 0.00 H new ATOM 244 N HIS A 21 -10.878 4.924 2.262 1.00 0.00 N ATOM 245 CA HIS A 21 -10.897 3.612 1.623 1.00 0.00 C ATOM 246 C HIS A 21 -10.713 2.503 2.654 1.00 0.00 C ATOM 247 O HIS A 21 -9.693 2.444 3.342 1.00 0.00 O ATOM 248 CB HIS A 21 -9.802 3.523 0.560 1.00 0.00 C ATOM 249 CG HIS A 21 -9.872 4.613 -0.465 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.059 5.174 -0.887 1.00 0.00 N ATOM 251 CD2 HIS A 21 -8.893 5.247 -1.152 1.00 0.00 C ATOM 252 CE1 HIS A 21 -10.807 6.104 -1.791 1.00 0.00 C ATOM 253 NE2 HIS A 21 -9.500 6.169 -1.969 1.00 0.00 N ATOM 0 H HIS A 21 -9.952 5.348 2.328 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.868 3.482 1.145 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.829 3.558 1.049 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.872 2.558 0.058 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -11.987 4.912 -0.553 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -7.832 5.062 -1.072 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -11.545 6.708 -2.298 1.00 0.00 H new ATOM 261 N TYR A 22 -11.706 1.626 2.756 1.00 0.00 N ATOM 262 CA TYR A 22 -11.654 0.521 3.706 1.00 0.00 C ATOM 263 C TYR A 22 -11.756 1.030 5.140 1.00 0.00 C ATOM 264 O TYR A 22 -11.098 0.513 6.043 1.00 0.00 O ATOM 265 CB TYR A 22 -10.360 -0.274 3.525 1.00 0.00 C ATOM 266 CG TYR A 22 -10.088 -0.671 2.092 1.00 0.00 C ATOM 267 CD1 TYR A 22 -10.696 -1.787 1.531 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.223 0.072 1.297 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.449 -2.153 0.222 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.972 -0.285 -0.013 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.587 -1.399 -0.546 1.00 0.00 C ATOM 272 OH TYR A 22 -9.340 -1.759 -1.851 1.00 0.00 O ATOM 0 H TYR A 22 -12.556 1.659 2.193 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.504 -0.133 3.511 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.524 0.320 3.893 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.407 -1.173 4.139 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.374 -2.379 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.739 0.944 1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.928 -3.025 -0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.298 0.304 -0.617 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.408 -1.554 -2.076 1.00 0.00 H new ATOM 282 N GLY A 23 -12.586 2.048 5.343 1.00 0.00 N ATOM 283 CA GLY A 23 -12.761 2.611 6.669 1.00 0.00 C ATOM 284 C GLY A 23 -11.536 3.368 7.143 1.00 0.00 C ATOM 285 O GLY A 23 -11.390 3.641 8.334 1.00 0.00 O ATOM 0 H GLY A 23 -13.141 2.493 4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.620 3.282 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.985 1.810 7.374 1.00 0.00 H new ATOM 289 N GLN A 24 -10.654 3.708 6.208 1.00 0.00 N ATOM 290 CA GLN A 24 -9.435 4.437 6.538 1.00 0.00 C ATOM 291 C GLN A 24 -9.011 5.339 5.384 1.00 0.00 C ATOM 292 O GLN A 24 -9.304 5.057 4.222 1.00 0.00 O ATOM 293 CB GLN A 24 -8.308 3.460 6.878 1.00 0.00 C ATOM 294 CG GLN A 24 -7.308 4.010 7.882 1.00 0.00 C ATOM 295 CD GLN A 24 -7.975 4.579 9.119 1.00 0.00 C ATOM 296 OE1 GLN A 24 -8.046 5.795 9.296 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.470 3.699 9.983 1.00 0.00 N ATOM 0 H GLN A 24 -10.761 3.491 5.217 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.639 5.062 7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.742 2.542 7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.781 3.193 5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.621 3.217 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.711 4.788 7.406 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.389 2.700 9.796 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.931 4.023 10.833 1.00 0.00 H new ATOM 306 N PHE A 25 -8.319 6.425 5.712 1.00 0.00 N ATOM 307 CA PHE A 25 -7.855 7.370 4.703 1.00 0.00 C ATOM 308 C PHE A 25 -6.524 6.920 4.108 1.00 0.00 C ATOM 309 O PHE A 25 -5.469 7.083 4.721 1.00 0.00 O ATOM 310 CB PHE A 25 -7.709 8.767 5.310 1.00 0.00 C ATOM 311 CG PHE A 25 -9.018 9.387 5.708 1.00 0.00 C ATOM 312 CD1 PHE A 25 -10.028 9.562 4.776 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.238 9.796 7.013 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.234 10.133 5.138 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.442 10.367 7.382 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.440 10.536 6.443 1.00 0.00 C ATOM 0 H PHE A 25 -8.067 6.673 6.669 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.597 7.404 3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.063 8.708 6.186 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.212 9.417 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.871 9.249 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.460 9.667 7.751 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.013 10.264 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.602 10.680 8.403 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.381 10.983 6.729 1.00 0.00 H new ATOM 326 N THR A 26 -6.581 6.352 2.907 1.00 0.00 N ATOM 327 CA THR A 26 -5.382 5.877 2.228 1.00 0.00 C ATOM 328 C THR A 26 -5.393 6.268 0.755 1.00 0.00 C ATOM 329 O THR A 26 -6.445 6.287 0.115 1.00 0.00 O ATOM 330 CB THR A 26 -5.242 4.347 2.341 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.445 3.711 1.895 1.00 0.00 O ATOM 332 CG2 THR A 26 -4.946 3.935 3.775 1.00 0.00 C ATOM 0 H THR A 26 -7.445 6.210 2.385 1.00 0.00 H new ATOM 0 HA THR A 26 -4.532 6.350 2.720 1.00 0.00 H new ATOM 0 HB THR A 26 -4.410 4.033 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.706 3.019 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.851 2.850 3.830 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.015 4.397 4.102 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.760 4.261 4.423 1.00 0.00 H new ATOM 340 N CYS A 27 -4.217 6.579 0.221 1.00 0.00 N ATOM 341 CA CYS A 27 -4.090 6.969 -1.178 1.00 0.00 C ATOM 342 C CYS A 27 -4.527 5.835 -2.101 1.00 0.00 C ATOM 343 O CYS A 27 -4.812 4.728 -1.646 1.00 0.00 O ATOM 344 CB CYS A 27 -2.646 7.367 -1.489 1.00 0.00 C ATOM 345 SG CYS A 27 -1.469 5.977 -1.463 1.00 0.00 S ATOM 0 H CYS A 27 -3.337 6.568 0.737 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.741 7.826 -1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.614 7.838 -2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.323 8.116 -0.766 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.430 6.301 -0.752 1.00 0.00 H new ATOM 350 N GLU A 28 -4.576 6.121 -3.398 1.00 0.00 N ATOM 351 CA GLU A 28 -4.979 5.125 -4.384 1.00 0.00 C ATOM 352 C GLU A 28 -3.919 4.035 -4.520 1.00 0.00 C ATOM 353 O GLU A 28 -4.235 2.878 -4.795 1.00 0.00 O ATOM 354 CB GLU A 28 -5.222 5.788 -5.741 1.00 0.00 C ATOM 355 CG GLU A 28 -6.235 6.919 -5.694 1.00 0.00 C ATOM 356 CD GLU A 28 -6.572 7.459 -7.070 1.00 0.00 C ATOM 357 OE1 GLU A 28 -7.239 6.741 -7.843 1.00 0.00 O ATOM 358 OE2 GLU A 28 -6.167 8.601 -7.374 1.00 0.00 O ATOM 0 H GLU A 28 -4.342 7.033 -3.790 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.906 4.666 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.276 6.174 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.566 5.033 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.147 6.565 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.843 7.727 -5.077 1.00 0.00 H new ATOM 365 N GLY A 29 -2.660 4.414 -4.326 1.00 0.00 N ATOM 366 CA GLY A 29 -1.573 3.459 -4.432 1.00 0.00 C ATOM 367 C GLY A 29 -1.661 2.362 -3.390 1.00 0.00 C ATOM 368 O GLY A 29 -1.393 1.196 -3.680 1.00 0.00 O ATOM 0 H GLY A 29 -2.373 5.366 -4.097 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.581 3.013 -5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.623 3.982 -4.325 1.00 0.00 H new ATOM 372 N CYS A 30 -2.037 2.735 -2.171 1.00 0.00 N ATOM 373 CA CYS A 30 -2.158 1.776 -1.080 1.00 0.00 C ATOM 374 C CYS A 30 -3.544 1.138 -1.068 1.00 0.00 C ATOM 375 O CYS A 30 -3.696 -0.040 -0.746 1.00 0.00 O ATOM 376 CB CYS A 30 -1.887 2.460 0.261 1.00 0.00 C ATOM 377 SG CYS A 30 -0.227 3.199 0.397 1.00 0.00 S ATOM 0 H CYS A 30 -2.263 3.696 -1.914 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.418 0.991 -1.235 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.634 3.239 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.015 1.731 1.061 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.213 4.349 -0.208 1.00 0.00 H new ATOM 382 N LYS A 31 -4.554 1.926 -1.421 1.00 0.00 N ATOM 383 CA LYS A 31 -5.929 1.441 -1.453 1.00 0.00 C ATOM 384 C LYS A 31 -6.016 0.102 -2.178 1.00 0.00 C ATOM 385 O LYS A 31 -6.492 -0.887 -1.620 1.00 0.00 O ATOM 386 CB LYS A 31 -6.837 2.464 -2.138 1.00 0.00 C ATOM 387 CG LYS A 31 -8.222 1.929 -2.460 1.00 0.00 C ATOM 388 CD LYS A 31 -8.826 2.633 -3.663 1.00 0.00 C ATOM 389 CE LYS A 31 -8.159 2.197 -4.958 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.388 0.753 -5.241 1.00 0.00 N ATOM 0 H LYS A 31 -4.446 2.904 -1.689 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.262 1.300 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.935 3.338 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.362 2.798 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.163 0.858 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.873 2.060 -1.596 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.894 2.419 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.722 3.712 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.544 2.795 -5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.088 2.390 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.083 0.537 -6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.842 0.177 -4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.400 0.536 -5.140 1.00 0.00 H new ATOM 404 N SER A 32 -5.553 0.077 -3.423 1.00 0.00 N ATOM 405 CA SER A 32 -5.581 -1.141 -4.225 1.00 0.00 C ATOM 406 C SER A 32 -4.554 -2.149 -3.719 1.00 0.00 C ATOM 407 O SER A 32 -4.849 -3.335 -3.576 1.00 0.00 O ATOM 408 CB SER A 32 -5.311 -0.815 -5.695 1.00 0.00 C ATOM 409 OG SER A 32 -5.840 -1.818 -6.546 1.00 0.00 O ATOM 0 H SER A 32 -5.154 0.886 -3.899 1.00 0.00 H new ATOM 0 HA SER A 32 -6.573 -1.583 -4.134 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.755 0.149 -5.944 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.237 -0.724 -5.859 1.00 0.00 H new ATOM 0 HG SER A 32 -5.656 -1.585 -7.480 1.00 0.00 H new ATOM 415 N PHE A 33 -3.345 -1.667 -3.449 1.00 0.00 N ATOM 416 CA PHE A 33 -2.272 -2.524 -2.960 1.00 0.00 C ATOM 417 C PHE A 33 -2.737 -3.349 -1.764 1.00 0.00 C ATOM 418 O PHE A 33 -2.337 -4.502 -1.596 1.00 0.00 O ATOM 419 CB PHE A 33 -1.055 -1.683 -2.571 1.00 0.00 C ATOM 420 CG PHE A 33 0.054 -2.483 -1.950 1.00 0.00 C ATOM 421 CD1 PHE A 33 0.991 -3.125 -2.743 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.160 -2.593 -0.573 1.00 0.00 C ATOM 423 CE1 PHE A 33 2.012 -3.863 -2.174 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.179 -3.329 0.002 1.00 0.00 C ATOM 425 CZ PHE A 33 2.106 -3.964 -0.800 1.00 0.00 C ATOM 0 H PHE A 33 -3.084 -0.687 -3.561 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.992 -3.206 -3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.674 -1.177 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.368 -0.907 -1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.923 -3.048 -3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.562 -2.098 0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.735 -4.360 -2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.250 -3.407 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.904 -4.539 -0.353 1.00 0.00 H new ATOM 435 N PHE A 34 -3.585 -2.750 -0.934 1.00 0.00 N ATOM 436 CA PHE A 34 -4.104 -3.428 0.249 1.00 0.00 C ATOM 437 C PHE A 34 -5.066 -4.545 -0.144 1.00 0.00 C ATOM 438 O PHE A 34 -4.975 -5.665 0.361 1.00 0.00 O ATOM 439 CB PHE A 34 -4.813 -2.428 1.165 1.00 0.00 C ATOM 440 CG PHE A 34 -5.553 -3.076 2.300 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.867 -3.759 3.291 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.934 -3.002 2.376 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.545 -4.356 4.338 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.618 -3.596 3.420 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.923 -4.276 4.401 1.00 0.00 C ATOM 0 H PHE A 34 -3.927 -1.797 -1.058 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.263 -3.868 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.077 -1.734 1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.514 -1.839 0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.790 -3.826 3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.483 -2.474 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.998 -4.884 5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.695 -3.528 3.469 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.456 -4.744 5.216 1.00 0.00 H new ATOM 455 N LYS A 35 -5.989 -4.234 -1.048 1.00 0.00 N ATOM 456 CA LYS A 35 -6.968 -5.210 -1.510 1.00 0.00 C ATOM 457 C LYS A 35 -6.287 -6.352 -2.257 1.00 0.00 C ATOM 458 O LYS A 35 -6.394 -7.514 -1.864 1.00 0.00 O ATOM 459 CB LYS A 35 -8.000 -4.536 -2.418 1.00 0.00 C ATOM 460 CG LYS A 35 -8.670 -5.491 -3.390 1.00 0.00 C ATOM 461 CD LYS A 35 -9.741 -4.792 -4.210 1.00 0.00 C ATOM 462 CE LYS A 35 -10.155 -5.626 -5.414 1.00 0.00 C ATOM 463 NZ LYS A 35 -11.504 -5.245 -5.915 1.00 0.00 N ATOM 0 H LYS A 35 -6.079 -3.312 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.474 -5.622 -0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.764 -4.065 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.512 -3.741 -2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.921 -5.918 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.115 -6.319 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.612 -4.598 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.369 -3.824 -4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.423 -5.501 -6.212 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.153 -6.682 -5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.749 -5.836 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.207 -5.388 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.499 -4.244 -6.198 1.00 0.00 H new ATOM 477 N ARG A 36 -5.588 -6.014 -3.335 1.00 0.00 N ATOM 478 CA ARG A 36 -4.889 -7.012 -4.136 1.00 0.00 C ATOM 479 C ARG A 36 -4.163 -8.014 -3.244 1.00 0.00 C ATOM 480 O ARG A 36 -4.020 -9.185 -3.597 1.00 0.00 O ATOM 481 CB ARG A 36 -3.892 -6.334 -5.078 1.00 0.00 C ATOM 482 CG ARG A 36 -2.582 -5.954 -4.406 1.00 0.00 C ATOM 483 CD ARG A 36 -1.483 -5.706 -5.428 1.00 0.00 C ATOM 484 NE ARG A 36 -0.926 -6.953 -5.945 1.00 0.00 N ATOM 485 CZ ARG A 36 -0.125 -7.017 -7.003 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.210 -5.910 -7.653 1.00 0.00 N ATOM 487 NH2 ARG A 36 0.342 -8.189 -7.414 1.00 0.00 N ATOM 0 H ARG A 36 -5.490 -5.057 -3.674 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.629 -7.550 -4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.682 -7.002 -5.913 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.351 -5.437 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.728 -5.058 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.276 -6.750 -3.727 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.882 -5.117 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.689 -5.116 -4.971 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.165 -7.822 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.148 -5.007 -7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.825 -5.962 -8.465 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.086 -9.042 -6.918 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.957 -8.236 -8.226 1.00 0.00 H new ATOM 501 N SER A 37 -3.705 -7.546 -2.087 1.00 0.00 N ATOM 502 CA SER A 37 -2.990 -8.400 -1.147 1.00 0.00 C ATOM 503 C SER A 37 -3.964 -9.131 -0.228 1.00 0.00 C ATOM 504 O SER A 37 -3.692 -10.243 0.226 1.00 0.00 O ATOM 505 CB SER A 37 -2.011 -7.569 -0.314 1.00 0.00 C ATOM 506 OG SER A 37 -2.655 -6.442 0.255 1.00 0.00 O ATOM 0 H SER A 37 -3.817 -6.580 -1.779 1.00 0.00 H new ATOM 0 HA SER A 37 -2.432 -9.141 -1.719 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.586 -8.187 0.477 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.183 -7.240 -0.941 1.00 0.00 H new ATOM 0 HG SER A 37 -3.627 -6.553 0.190 1.00 0.00 H new ATOM 512 N VAL A 38 -5.101 -8.499 0.043 1.00 0.00 N ATOM 513 CA VAL A 38 -6.117 -9.088 0.906 1.00 0.00 C ATOM 514 C VAL A 38 -7.066 -9.977 0.110 1.00 0.00 C ATOM 515 O VAL A 38 -7.162 -11.179 0.358 1.00 0.00 O ATOM 516 CB VAL A 38 -6.934 -8.003 1.632 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.025 -8.636 2.483 1.00 0.00 C ATOM 518 CG2 VAL A 38 -6.024 -7.130 2.482 1.00 0.00 C ATOM 0 H VAL A 38 -5.342 -7.578 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.593 -9.693 1.646 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.411 -7.370 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.592 -7.854 2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.694 -9.215 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.572 -9.293 3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.618 -6.369 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.517 -7.747 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.283 -6.648 1.844 1.00 0.00 H new ATOM 528 N ARG A 39 -7.767 -9.377 -0.847 1.00 0.00 N ATOM 529 CA ARG A 39 -8.710 -10.114 -1.679 1.00 0.00 C ATOM 530 C ARG A 39 -8.094 -11.421 -2.172 1.00 0.00 C ATOM 531 O ARG A 39 -8.784 -12.432 -2.303 1.00 0.00 O ATOM 532 CB ARG A 39 -9.144 -9.261 -2.873 1.00 0.00 C ATOM 533 CG ARG A 39 -8.012 -8.939 -3.835 1.00 0.00 C ATOM 534 CD ARG A 39 -8.161 -9.697 -5.145 1.00 0.00 C ATOM 535 NE ARG A 39 -8.758 -11.016 -4.949 1.00 0.00 N ATOM 536 CZ ARG A 39 -8.905 -11.907 -5.922 1.00 0.00 C ATOM 537 NH1 ARG A 39 -8.501 -11.624 -7.153 1.00 0.00 N ATOM 538 NH2 ARG A 39 -9.457 -13.087 -5.665 1.00 0.00 N ATOM 0 H ARG A 39 -7.699 -8.383 -1.065 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.584 -10.350 -1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.932 -9.784 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.574 -8.329 -2.506 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.996 -7.867 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.058 -9.192 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.779 -9.118 -5.831 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.183 -9.808 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.079 -11.266 -4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.076 -10.719 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.616 -12.311 -7.898 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.768 -13.309 -4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.570 -13.771 -6.413 1.00 0.00 H new ATOM 552 N ARG A 40 -6.794 -11.391 -2.443 1.00 0.00 N ATOM 553 CA ARG A 40 -6.086 -12.572 -2.922 1.00 0.00 C ATOM 554 C ARG A 40 -5.506 -13.369 -1.757 1.00 0.00 C ATOM 555 O ARG A 40 -5.176 -14.545 -1.900 1.00 0.00 O ATOM 556 CB ARG A 40 -4.967 -12.168 -3.884 1.00 0.00 C ATOM 557 CG ARG A 40 -5.456 -11.388 -5.093 1.00 0.00 C ATOM 558 CD ARG A 40 -4.635 -11.708 -6.332 1.00 0.00 C ATOM 559 NE ARG A 40 -4.857 -13.074 -6.798 1.00 0.00 N ATOM 560 CZ ARG A 40 -4.570 -13.487 -8.028 1.00 0.00 C ATOM 561 NH1 ARG A 40 -4.051 -12.644 -8.910 1.00 0.00 N ATOM 562 NH2 ARG A 40 -4.801 -14.746 -8.377 1.00 0.00 N ATOM 0 H ARG A 40 -6.209 -10.562 -2.339 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.801 -13.202 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.236 -11.566 -3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.451 -13.065 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.504 -11.623 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.401 -10.320 -4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.891 -11.008 -7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.577 -11.568 -6.112 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.254 -13.748 -6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.871 -11.676 -8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.832 -12.964 -9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.199 -15.398 -7.701 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.580 -15.062 -9.321 1.00 0.00 H new ATOM 576 N ASN A 41 -5.386 -12.719 -0.604 1.00 0.00 N ATOM 577 CA ASN A 41 -4.845 -13.366 0.586 1.00 0.00 C ATOM 578 C ASN A 41 -3.344 -13.599 0.444 1.00 0.00 C ATOM 579 O ASN A 41 -2.826 -14.640 0.848 1.00 0.00 O ATOM 580 CB ASN A 41 -5.558 -14.697 0.836 1.00 0.00 C ATOM 581 CG ASN A 41 -5.310 -15.231 2.234 1.00 0.00 C ATOM 582 OD1 ASN A 41 -4.384 -14.799 2.920 1.00 0.00 O ATOM 583 ND2 ASN A 41 -6.139 -16.177 2.661 1.00 0.00 N ATOM 0 H ASN A 41 -5.656 -11.745 -0.468 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.013 -12.706 1.437 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.629 -14.566 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.220 -15.431 0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.021 -16.576 3.592 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.893 -16.505 2.057 1.00 0.00 H new ATOM 590 N LEU A 42 -2.652 -12.623 -0.133 1.00 0.00 N ATOM 591 CA LEU A 42 -1.209 -12.720 -0.328 1.00 0.00 C ATOM 592 C LEU A 42 -0.467 -12.534 0.992 1.00 0.00 C ATOM 593 O LEU A 42 -1.065 -12.178 2.008 1.00 0.00 O ATOM 594 CB LEU A 42 -0.741 -11.675 -1.342 1.00 0.00 C ATOM 595 CG LEU A 42 -1.657 -11.448 -2.545 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.145 -10.298 -3.397 1.00 0.00 C ATOM 597 CD2 LEU A 42 -1.773 -12.719 -3.374 1.00 0.00 C ATOM 0 H LEU A 42 -3.066 -11.756 -0.474 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.985 -13.715 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.615 -10.725 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.242 -11.970 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.649 -11.186 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.810 -10.152 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.115 -9.387 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.142 -10.529 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.429 -12.539 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.786 -13.012 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.188 -13.518 -2.759 1.00 0.00 H new ATOM 609 N THR A 43 0.840 -12.775 0.969 1.00 0.00 N ATOM 610 CA THR A 43 1.664 -12.633 2.162 1.00 0.00 C ATOM 611 C THR A 43 3.123 -12.384 1.796 1.00 0.00 C ATOM 612 O THR A 43 3.822 -13.290 1.340 1.00 0.00 O ATOM 613 CB THR A 43 1.577 -13.883 3.057 1.00 0.00 C ATOM 614 OG1 THR A 43 0.206 -14.213 3.306 1.00 0.00 O ATOM 615 CG2 THR A 43 2.296 -13.654 4.378 1.00 0.00 C ATOM 0 H THR A 43 1.350 -13.070 0.137 1.00 0.00 H new ATOM 0 HA THR A 43 1.279 -11.774 2.712 1.00 0.00 H new ATOM 0 HB THR A 43 2.061 -14.710 2.536 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.159 -15.010 3.875 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.221 -14.551 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.346 -13.432 4.187 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.837 -12.815 4.901 1.00 0.00 H new ATOM 623 N TYR A 44 3.578 -11.153 2.000 1.00 0.00 N ATOM 624 CA TYR A 44 4.954 -10.785 1.689 1.00 0.00 C ATOM 625 C TYR A 44 5.876 -11.078 2.870 1.00 0.00 C ATOM 626 O TYR A 44 5.512 -10.862 4.026 1.00 0.00 O ATOM 627 CB TYR A 44 5.037 -9.304 1.318 1.00 0.00 C ATOM 628 CG TYR A 44 3.948 -8.855 0.371 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.709 -9.535 -0.817 1.00 0.00 C ATOM 630 CD2 TYR A 44 3.158 -7.750 0.663 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.715 -9.128 -1.686 1.00 0.00 C ATOM 632 CE2 TYR A 44 2.161 -7.337 -0.199 1.00 0.00 C ATOM 633 CZ TYR A 44 1.944 -8.029 -1.372 1.00 0.00 C ATOM 634 OH TYR A 44 0.952 -7.620 -2.235 1.00 0.00 O ATOM 0 H TYR A 44 3.014 -10.393 2.380 1.00 0.00 H new ATOM 0 HA TYR A 44 5.280 -11.384 0.839 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.984 -8.707 2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.007 -9.106 0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.311 -10.397 -1.065 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.326 -7.205 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.543 -9.667 -2.606 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.555 -6.477 0.044 1.00 0.00 H new ATOM 0 HH TYR A 44 0.768 -8.332 -2.883 1.00 0.00 H new ATOM 644 N THR A 45 7.073 -11.571 2.569 1.00 0.00 N ATOM 645 CA THR A 45 8.048 -11.895 3.603 1.00 0.00 C ATOM 646 C THR A 45 9.138 -10.832 3.683 1.00 0.00 C ATOM 647 O THR A 45 10.179 -10.947 3.036 1.00 0.00 O ATOM 648 CB THR A 45 8.702 -13.266 3.350 1.00 0.00 C ATOM 649 OG1 THR A 45 7.691 -14.261 3.148 1.00 0.00 O ATOM 650 CG2 THR A 45 9.589 -13.667 4.519 1.00 0.00 C ATOM 0 H THR A 45 7.391 -11.755 1.617 1.00 0.00 H new ATOM 0 HA THR A 45 7.506 -11.929 4.548 1.00 0.00 H new ATOM 0 HB THR A 45 9.320 -13.189 2.456 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.115 -15.130 2.986 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.040 -14.639 4.317 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.375 -12.923 4.652 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.989 -13.727 5.427 1.00 0.00 H new ATOM 658 N CYS A 46 8.892 -9.798 4.481 1.00 0.00 N ATOM 659 CA CYS A 46 9.853 -8.714 4.646 1.00 0.00 C ATOM 660 C CYS A 46 11.265 -9.262 4.831 1.00 0.00 C ATOM 661 O CYS A 46 11.563 -9.911 5.834 1.00 0.00 O ATOM 662 CB CYS A 46 9.470 -7.844 5.845 1.00 0.00 C ATOM 663 SG CYS A 46 10.569 -6.415 6.108 1.00 0.00 S ATOM 0 H CYS A 46 8.035 -9.688 5.023 1.00 0.00 H new ATOM 0 HA CYS A 46 9.835 -8.105 3.742 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.450 -7.484 5.708 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.473 -8.461 6.744 1.00 0.00 H new ATOM 0 HG CYS A 46 9.854 -5.358 6.355 1.00 0.00 H new ATOM 668 N ARG A 47 12.130 -8.996 3.858 1.00 0.00 N ATOM 669 CA ARG A 47 13.510 -9.463 3.913 1.00 0.00 C ATOM 670 C ARG A 47 14.352 -8.565 4.814 1.00 0.00 C ATOM 671 O ARG A 47 15.580 -8.639 4.807 1.00 0.00 O ATOM 672 CB ARG A 47 14.113 -9.503 2.508 1.00 0.00 C ATOM 673 CG ARG A 47 15.387 -10.328 2.415 1.00 0.00 C ATOM 674 CD ARG A 47 15.123 -11.796 2.712 1.00 0.00 C ATOM 675 NE ARG A 47 16.329 -12.607 2.576 1.00 0.00 N ATOM 676 CZ ARG A 47 16.472 -13.810 3.122 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.487 -14.337 3.837 1.00 0.00 N ATOM 678 NH2 ARG A 47 17.600 -14.487 2.953 1.00 0.00 N ATOM 0 H ARG A 47 11.900 -8.459 3.022 1.00 0.00 H new ATOM 0 HA ARG A 47 13.510 -10.470 4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 47 13.375 -9.910 1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 47 14.325 -8.484 2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.814 -10.229 1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.125 -9.940 3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.731 -11.896 3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.356 -12.171 2.034 1.00 0.00 H new ATOM 0 HE ARG A 47 17.105 -12.229 2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.618 -13.819 3.968 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.598 -15.261 4.255 1.00 0.00 H new ATOM 0 HH21 ARG A 47 18.359 -14.084 2.403 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.708 -15.410 3.373 1.00 0.00 H new ATOM 692 N ALA A 48 13.682 -7.718 5.589 1.00 0.00 N ATOM 693 CA ALA A 48 14.368 -6.807 6.497 1.00 0.00 C ATOM 694 C ALA A 48 13.827 -6.936 7.917 1.00 0.00 C ATOM 695 O ALA A 48 13.042 -7.836 8.212 1.00 0.00 O ATOM 696 CB ALA A 48 14.234 -5.373 6.007 1.00 0.00 C ATOM 0 H ALA A 48 12.665 -7.644 5.606 1.00 0.00 H new ATOM 0 HA ALA A 48 15.424 -7.076 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.751 -4.704 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.675 -5.285 5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.179 -5.101 5.960 1.00 0.00 H new ATOM 702 N ASN A 49 14.253 -6.031 8.792 1.00 0.00 N ATOM 703 CA ASN A 49 13.811 -6.045 10.182 1.00 0.00 C ATOM 704 C ASN A 49 12.412 -5.451 10.314 1.00 0.00 C ATOM 705 O ASN A 49 12.131 -4.702 11.249 1.00 0.00 O ATOM 706 CB ASN A 49 14.793 -5.265 11.058 1.00 0.00 C ATOM 707 CG ASN A 49 16.240 -5.568 10.717 1.00 0.00 C ATOM 708 OD1 ASN A 49 17.025 -4.663 10.436 1.00 0.00 O ATOM 709 ND2 ASN A 49 16.597 -6.847 10.739 1.00 0.00 N ATOM 0 H ASN A 49 14.903 -5.279 8.564 1.00 0.00 H new ATOM 0 HA ASN A 49 13.779 -7.082 10.517 1.00 0.00 H new ATOM 0 HB2 ASN A 49 14.611 -4.197 10.940 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.611 -5.506 12.105 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.557 -7.113 10.517 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.912 -7.564 10.978 1.00 0.00 H new ATOM 716 N ARG A 50 11.539 -5.792 9.372 1.00 0.00 N ATOM 717 CA ARG A 50 10.170 -5.292 9.382 1.00 0.00 C ATOM 718 C ARG A 50 10.122 -3.846 9.867 1.00 0.00 C ATOM 719 O ARG A 50 9.136 -3.413 10.462 1.00 0.00 O ATOM 720 CB ARG A 50 9.291 -6.170 10.276 1.00 0.00 C ATOM 721 CG ARG A 50 9.098 -7.580 9.743 1.00 0.00 C ATOM 722 CD ARG A 50 8.557 -8.512 10.816 1.00 0.00 C ATOM 723 NE ARG A 50 8.246 -9.837 10.285 1.00 0.00 N ATOM 724 CZ ARG A 50 9.167 -10.760 10.029 1.00 0.00 C ATOM 725 NH1 ARG A 50 10.448 -10.504 10.254 1.00 0.00 N ATOM 726 NH2 ARG A 50 8.806 -11.942 9.547 1.00 0.00 N ATOM 0 H ARG A 50 11.756 -6.413 8.592 1.00 0.00 H new ATOM 0 HA ARG A 50 9.790 -5.327 8.361 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.737 -6.224 11.269 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.316 -5.697 10.390 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.411 -7.559 8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.049 -7.963 9.372 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.290 -8.606 11.618 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.659 -8.077 11.254 1.00 0.00 H new ATOM 0 HE ARG A 50 7.269 -10.066 10.101 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.729 -9.596 10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.152 -11.215 10.056 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.821 -12.143 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.513 -12.650 9.351 1.00 0.00 H new ATOM 740 N ASN A 51 11.194 -3.105 9.608 1.00 0.00 N ATOM 741 CA ASN A 51 11.276 -1.708 10.019 1.00 0.00 C ATOM 742 C ASN A 51 11.462 -0.795 8.811 1.00 0.00 C ATOM 743 O ASN A 51 11.839 0.369 8.951 1.00 0.00 O ATOM 744 CB ASN A 51 12.430 -1.511 11.005 1.00 0.00 C ATOM 745 CG ASN A 51 13.784 -1.732 10.360 1.00 0.00 C ATOM 746 OD1 ASN A 51 13.874 -2.084 9.184 1.00 0.00 O ATOM 747 ND2 ASN A 51 14.846 -1.527 11.130 1.00 0.00 N ATOM 0 H ASN A 51 12.018 -3.449 9.115 1.00 0.00 H new ATOM 0 HA ASN A 51 10.339 -1.444 10.510 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.386 -0.502 11.415 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.312 -2.200 11.841 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.784 -1.661 10.752 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.724 -1.236 12.100 1.00 0.00 H new ATOM 754 N CYS A 52 11.196 -1.332 7.625 1.00 0.00 N ATOM 755 CA CYS A 52 11.333 -0.567 6.391 1.00 0.00 C ATOM 756 C CYS A 52 10.467 0.688 6.430 1.00 0.00 C ATOM 757 O CYS A 52 9.291 0.650 6.792 1.00 0.00 O ATOM 758 CB CYS A 52 10.949 -1.429 5.187 1.00 0.00 C ATOM 759 SG CYS A 52 11.611 -3.125 5.245 1.00 0.00 S ATOM 0 H CYS A 52 10.884 -2.294 7.492 1.00 0.00 H new ATOM 0 HA CYS A 52 12.376 -0.264 6.294 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.862 -1.477 5.120 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.303 -0.943 4.278 1.00 0.00 H new ATOM 0 HG CYS A 52 10.801 -3.929 4.622 1.00 0.00 H new ATOM 764 N PRO A 53 11.060 1.829 6.047 1.00 0.00 N ATOM 765 CA PRO A 53 10.361 3.117 6.028 1.00 0.00 C ATOM 766 C PRO A 53 9.302 3.186 4.933 1.00 0.00 C ATOM 767 O PRO A 53 9.609 3.482 3.777 1.00 0.00 O ATOM 768 CB PRO A 53 11.480 4.124 5.753 1.00 0.00 C ATOM 769 CG PRO A 53 12.528 3.341 5.039 1.00 0.00 C ATOM 770 CD PRO A 53 12.459 1.948 5.603 1.00 0.00 C ATOM 0 HA PRO A 53 9.822 3.301 6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.124 4.955 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.866 4.549 6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.347 3.336 3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.515 3.777 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.708 1.198 4.852 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.156 1.814 6.430 1.00 0.00 H new ATOM 778 N ILE A 54 8.056 2.911 5.303 1.00 0.00 N ATOM 779 CA ILE A 54 6.952 2.944 4.352 1.00 0.00 C ATOM 780 C ILE A 54 6.407 4.359 4.190 1.00 0.00 C ATOM 781 O ILE A 54 5.490 4.768 4.902 1.00 0.00 O ATOM 782 CB ILE A 54 5.806 2.012 4.788 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.297 0.565 4.866 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.634 2.127 3.824 1.00 0.00 C ATOM 785 CD1 ILE A 54 6.828 0.035 3.552 1.00 0.00 C ATOM 0 H ILE A 54 7.786 2.663 6.255 1.00 0.00 H new ATOM 0 HA ILE A 54 7.348 2.598 3.397 1.00 0.00 H new ATOM 0 HB ILE A 54 5.468 2.315 5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.081 0.496 5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.477 -0.071 5.200 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.832 1.462 4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.271 3.155 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.958 1.846 2.822 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.158 -0.996 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.040 0.071 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.669 0.647 3.226 1.00 0.00 H new ATOM 797 N ASP A 55 6.978 5.102 3.247 1.00 0.00 N ATOM 798 CA ASP A 55 6.548 6.471 2.989 1.00 0.00 C ATOM 799 C ASP A 55 6.304 6.692 1.499 1.00 0.00 C ATOM 800 O ASP A 55 6.670 5.858 0.671 1.00 0.00 O ATOM 801 CB ASP A 55 7.595 7.462 3.500 1.00 0.00 C ATOM 802 CG ASP A 55 7.374 7.841 4.951 1.00 0.00 C ATOM 803 OD1 ASP A 55 6.208 8.074 5.331 1.00 0.00 O ATOM 804 OD2 ASP A 55 8.367 7.906 5.705 1.00 0.00 O ATOM 0 H ASP A 55 7.739 4.779 2.650 1.00 0.00 H new ATOM 0 HA ASP A 55 5.611 6.638 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.588 7.027 3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.570 8.361 2.885 1.00 0.00 H new ATOM 809 N GLN A 56 5.685 7.820 1.167 1.00 0.00 N ATOM 810 CA GLN A 56 5.391 8.148 -0.223 1.00 0.00 C ATOM 811 C GLN A 56 6.633 8.681 -0.931 1.00 0.00 C ATOM 812 O GLN A 56 7.098 8.100 -1.912 1.00 0.00 O ATOM 813 CB GLN A 56 4.265 9.181 -0.298 1.00 0.00 C ATOM 814 CG GLN A 56 3.990 9.680 -1.707 1.00 0.00 C ATOM 815 CD GLN A 56 3.960 8.560 -2.728 1.00 0.00 C ATOM 816 OE1 GLN A 56 4.979 7.925 -3.001 1.00 0.00 O ATOM 817 NE2 GLN A 56 2.787 8.309 -3.298 1.00 0.00 N ATOM 0 H GLN A 56 5.378 8.522 1.841 1.00 0.00 H new ATOM 0 HA GLN A 56 5.072 7.235 -0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.353 8.742 0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.520 10.030 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.035 10.206 -1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.756 10.402 -1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.967 8.860 -3.042 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.706 7.565 -3.991 1.00 0.00 H new ATOM 915 N CYS A 62 8.859 -1.294 0.950 1.00 0.00 N ATOM 916 CA CYS A 62 8.673 -2.697 1.302 1.00 0.00 C ATOM 917 C CYS A 62 7.269 -3.168 0.935 1.00 0.00 C ATOM 918 O CYS A 62 6.363 -2.358 0.741 1.00 0.00 O ATOM 919 CB CYS A 62 8.919 -2.906 2.797 1.00 0.00 C ATOM 920 SG CYS A 62 8.820 -4.645 3.331 1.00 0.00 S ATOM 0 HA CYS A 62 9.394 -3.287 0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.904 -2.515 3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.190 -2.322 3.359 1.00 0.00 H new ATOM 0 HG CYS A 62 8.699 -4.696 4.624 1.00 0.00 H new ATOM 925 N GLN A 63 7.097 -4.483 0.843 1.00 0.00 N ATOM 926 CA GLN A 63 5.804 -5.061 0.499 1.00 0.00 C ATOM 927 C GLN A 63 5.042 -5.475 1.753 1.00 0.00 C ATOM 928 O GLN A 63 3.881 -5.106 1.937 1.00 0.00 O ATOM 929 CB GLN A 63 5.990 -6.269 -0.421 1.00 0.00 C ATOM 930 CG GLN A 63 6.203 -5.897 -1.879 1.00 0.00 C ATOM 931 CD GLN A 63 6.807 -4.517 -2.046 1.00 0.00 C ATOM 932 OE1 GLN A 63 8.019 -4.373 -2.213 1.00 0.00 O ATOM 933 NE2 GLN A 63 5.964 -3.492 -2.003 1.00 0.00 N ATOM 0 H GLN A 63 7.837 -5.167 1.002 1.00 0.00 H new ATOM 0 HA GLN A 63 5.222 -4.301 -0.023 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.844 -6.851 -0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.114 -6.913 -0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 63 6.856 -6.634 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.249 -5.938 -2.404 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.967 -3.657 -1.863 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.313 -2.540 -2.110 1.00 0.00 H new ATOM 942 N TYR A 64 5.701 -6.243 2.614 1.00 0.00 N ATOM 943 CA TYR A 64 5.084 -6.710 3.850 1.00 0.00 C ATOM 944 C TYR A 64 4.774 -5.540 4.779 1.00 0.00 C ATOM 945 O TYR A 64 3.626 -5.334 5.175 1.00 0.00 O ATOM 946 CB TYR A 64 6.003 -7.707 4.557 1.00 0.00 C ATOM 947 CG TYR A 64 5.800 -7.760 6.055 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.429 -6.849 6.894 1.00 0.00 C ATOM 949 CD2 TYR A 64 4.978 -8.722 6.630 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.247 -6.895 8.263 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.789 -8.774 7.998 1.00 0.00 C ATOM 952 CZ TYR A 64 5.426 -7.858 8.810 1.00 0.00 C ATOM 953 OH TYR A 64 5.241 -7.906 10.172 1.00 0.00 O ATOM 0 H TYR A 64 6.663 -6.555 2.479 1.00 0.00 H new ATOM 0 HA TYR A 64 4.148 -7.206 3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.836 -8.700 4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.040 -7.444 4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.071 -6.092 6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.479 -9.441 5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.745 -6.180 8.901 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.146 -9.527 8.429 1.00 0.00 H new ATOM 0 HH TYR A 64 4.633 -8.642 10.394 1.00 0.00 H new ATOM 963 N CYS A 65 5.805 -4.776 5.122 1.00 0.00 N ATOM 964 CA CYS A 65 5.645 -3.626 6.004 1.00 0.00 C ATOM 965 C CYS A 65 4.500 -2.734 5.533 1.00 0.00 C ATOM 966 O CYS A 65 3.650 -2.327 6.325 1.00 0.00 O ATOM 967 CB CYS A 65 6.944 -2.818 6.064 1.00 0.00 C ATOM 968 SG CYS A 65 8.318 -3.682 6.892 1.00 0.00 S ATOM 0 H CYS A 65 6.761 -4.932 4.803 1.00 0.00 H new ATOM 0 HA CYS A 65 5.408 -3.995 7.002 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.248 -2.563 5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 65 6.752 -1.880 6.585 1.00 0.00 H new ATOM 0 HG CYS A 65 9.427 -3.440 6.259 1.00 0.00 H new ATOM 973 N ARG A 66 4.485 -2.434 4.238 1.00 0.00 N ATOM 974 CA ARG A 66 3.446 -1.590 3.661 1.00 0.00 C ATOM 975 C ARG A 66 2.074 -2.244 3.802 1.00 0.00 C ATOM 976 O ARG A 66 1.170 -1.686 4.426 1.00 0.00 O ATOM 977 CB ARG A 66 3.743 -1.316 2.186 1.00 0.00 C ATOM 978 CG ARG A 66 2.700 -0.443 1.507 1.00 0.00 C ATOM 979 CD ARG A 66 3.264 0.239 0.270 1.00 0.00 C ATOM 980 NE ARG A 66 2.234 0.957 -0.476 1.00 0.00 N ATOM 981 CZ ARG A 66 2.403 1.408 -1.715 1.00 0.00 C ATOM 982 NH1 ARG A 66 3.555 1.214 -2.342 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.419 2.053 -2.327 1.00 0.00 N ATOM 0 H ARG A 66 5.181 -2.763 3.569 1.00 0.00 H new ATOM 0 HA ARG A 66 3.437 -0.645 4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.717 -0.834 2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.811 -2.266 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.840 -1.052 1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.343 0.311 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.049 0.935 0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.726 -0.507 -0.376 1.00 0.00 H new ATOM 0 HE ARG A 66 1.336 1.121 -0.021 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.313 0.718 -1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.683 1.561 -3.293 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.532 2.203 -1.847 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.550 2.399 -3.278 1.00 0.00 H new ATOM 997 N LEU A 67 1.926 -3.428 3.218 1.00 0.00 N ATOM 998 CA LEU A 67 0.665 -4.158 3.278 1.00 0.00 C ATOM 999 C LEU A 67 0.151 -4.240 4.712 1.00 0.00 C ATOM 1000 O LEU A 67 -1.014 -3.946 4.983 1.00 0.00 O ATOM 1001 CB LEU A 67 0.840 -5.565 2.705 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.240 -6.581 3.079 1.00 0.00 C ATOM 1003 CD1 LEU A 67 0.045 -7.186 4.445 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.615 -5.930 3.059 1.00 0.00 C ATOM 0 H LEU A 67 2.664 -3.903 2.698 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.068 -3.618 2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.880 -5.491 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.804 -5.952 3.034 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.228 -7.382 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.734 -7.906 4.694 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.012 -7.689 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.062 -6.396 5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.371 -6.668 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.639 -5.109 3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.821 -5.546 2.060 1.00 0.00 H new ATOM 1016 N LYS A 68 1.027 -4.640 5.627 1.00 0.00 N ATOM 1017 CA LYS A 68 0.664 -4.758 7.034 1.00 0.00 C ATOM 1018 C LYS A 68 0.303 -3.396 7.619 1.00 0.00 C ATOM 1019 O LYS A 68 -0.715 -3.250 8.297 1.00 0.00 O ATOM 1020 CB LYS A 68 1.816 -5.377 7.829 1.00 0.00 C ATOM 1021 CG LYS A 68 2.153 -6.796 7.407 1.00 0.00 C ATOM 1022 CD LYS A 68 1.052 -7.769 7.793 1.00 0.00 C ATOM 1023 CE LYS A 68 1.303 -8.380 9.163 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.639 -7.603 10.247 1.00 0.00 N ATOM 0 H LYS A 68 1.994 -4.888 5.419 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.209 -5.407 7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.702 -4.753 7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.559 -5.373 8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.307 -6.829 6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.090 -7.102 7.872 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.092 -7.252 7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.987 -8.561 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.937 -9.407 9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.376 -8.422 9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.347 -7.317 10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.192 -6.756 9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.086 -8.193 10.703 1.00 0.00 H new ATOM 1038 N LYS A 69 1.142 -2.401 7.351 1.00 0.00 N ATOM 1039 CA LYS A 69 0.910 -1.050 7.848 1.00 0.00 C ATOM 1040 C LYS A 69 -0.571 -0.690 7.775 1.00 0.00 C ATOM 1041 O LYS A 69 -1.056 0.141 8.543 1.00 0.00 O ATOM 1042 CB LYS A 69 1.731 -0.041 7.043 1.00 0.00 C ATOM 1043 CG LYS A 69 1.430 1.406 7.394 1.00 0.00 C ATOM 1044 CD LYS A 69 2.667 2.280 7.267 1.00 0.00 C ATOM 1045 CE LYS A 69 3.437 2.349 8.577 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.890 2.588 8.354 1.00 0.00 N ATOM 0 H LYS A 69 1.989 -2.505 6.792 1.00 0.00 H new ATOM 0 HA LYS A 69 1.223 -1.015 8.891 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.791 -0.233 7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.541 -0.196 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.647 1.785 6.738 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.047 1.462 8.413 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.314 1.885 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.374 3.285 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.029 3.147 9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.302 1.418 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.363 2.730 9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.307 1.766 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.016 3.435 7.764 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.283 -1.321 6.848 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.709 -1.067 6.675 1.00 0.00 C ATOM 1062 C CYS A 70 -3.503 -1.596 7.865 1.00 0.00 C ATOM 1063 O CYS A 70 -4.282 -0.865 8.480 1.00 0.00 O ATOM 1064 CB CYS A 70 -3.211 -1.714 5.384 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.438 -1.063 3.884 1.00 0.00 S ATOM 0 H CYS A 70 -0.897 -2.012 6.205 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.856 0.011 6.613 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -3.033 -2.788 5.435 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -4.290 -1.573 5.315 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.395 -1.995 2.978 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.303 -2.870 8.184 1.00 0.00 N ATOM 1072 CA LEU A 71 -4.002 -3.498 9.300 1.00 0.00 C ATOM 1073 C LEU A 71 -3.642 -2.822 10.618 1.00 0.00 C ATOM 1074 O LEU A 71 -4.340 -2.978 11.620 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.660 -4.988 9.368 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.818 -5.772 8.065 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -2.986 -7.045 8.104 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.283 -6.098 7.812 1.00 0.00 C ATOM 0 H LEU A 71 -2.663 -3.488 7.686 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.073 -3.384 9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.629 -5.089 9.707 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.291 -5.451 10.126 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.458 -5.151 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.111 -7.590 7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.935 -6.789 8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.315 -7.670 8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.376 -6.656 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.669 -6.699 8.635 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.854 -5.173 7.739 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.548 -2.067 10.611 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.096 -1.362 11.804 1.00 0.00 C ATOM 1092 C LYS A 72 -2.793 -0.012 11.936 1.00 0.00 C ATOM 1093 O LYS A 72 -3.489 0.245 12.919 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.579 -1.163 11.760 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.055 -0.239 12.845 1.00 0.00 C ATOM 1096 CD LYS A 72 1.183 0.513 12.387 1.00 0.00 C ATOM 1097 CE LYS A 72 1.776 1.348 13.512 1.00 0.00 C ATOM 1098 NZ LYS A 72 3.231 1.595 13.312 1.00 0.00 N ATOM 0 H LYS A 72 -1.958 -1.928 9.791 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.352 -1.969 12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.091 -2.133 11.854 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.302 -0.760 10.786 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.832 0.473 13.124 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.180 -0.820 13.737 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.928 -0.196 12.027 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.927 1.160 11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.251 2.301 13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.622 0.838 14.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.597 2.167 14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.736 0.686 13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.377 2.104 12.417 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.603 0.847 10.940 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.216 2.170 10.943 1.00 0.00 C ATOM 1114 C VAL A 73 -4.703 2.086 11.266 1.00 0.00 C ATOM 1115 O VAL A 73 -5.243 2.930 11.980 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.035 2.876 9.586 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.560 3.111 9.299 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.681 2.064 8.474 1.00 0.00 C ATOM 0 H VAL A 73 -2.029 0.650 10.120 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.712 2.750 11.716 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.530 3.846 9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.452 3.611 8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.132 3.736 10.083 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.038 2.155 9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.544 2.577 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.216 1.079 8.426 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.746 1.953 8.676 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.361 1.060 10.735 1.00 0.00 N ATOM 1129 CA GLY A 74 -6.781 0.884 10.978 1.00 0.00 C ATOM 1130 C GLY A 74 -7.458 0.069 9.893 1.00 0.00 C ATOM 1131 O GLY A 74 -8.392 -0.685 10.166 1.00 0.00 O ATOM 0 H GLY A 74 -4.936 0.348 10.141 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.924 0.392 11.940 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.259 1.861 11.046 1.00 0.00 H new ATOM 1135 N MET A 75 -6.988 0.222 8.660 1.00 0.00 N ATOM 1136 CA MET A 75 -7.555 -0.505 7.530 1.00 0.00 C ATOM 1137 C MET A 75 -8.037 -1.887 7.960 1.00 0.00 C ATOM 1138 O MET A 75 -7.368 -2.575 8.732 1.00 0.00 O ATOM 1139 CB MET A 75 -6.521 -0.638 6.411 1.00 0.00 C ATOM 1140 CG MET A 75 -6.035 0.697 5.871 1.00 0.00 C ATOM 1141 SD MET A 75 -6.995 1.265 4.455 1.00 0.00 S ATOM 1142 CE MET A 75 -6.439 0.126 3.189 1.00 0.00 C ATOM 0 H MET A 75 -6.216 0.843 8.417 1.00 0.00 H new ATOM 0 HA MET A 75 -8.410 0.060 7.159 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.666 -1.203 6.783 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.954 -1.215 5.594 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.085 1.445 6.663 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.988 0.608 5.583 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.229 0.676 2.272 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.533 -0.378 3.525 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.216 -0.614 2.999 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.200 -2.287 7.457 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.772 -3.586 7.791 1.00 0.00 C ATOM 1154 C ARG A 76 -9.902 -4.458 6.546 1.00 0.00 C ATOM 1155 O ARG A 76 -10.203 -3.965 5.459 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.141 -3.410 8.450 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.215 -2.907 7.499 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.243 -2.053 8.223 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.475 -1.909 7.452 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.310 -0.883 7.584 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -15.045 0.083 8.452 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -16.411 -0.823 6.846 1.00 0.00 N ATOM 0 H ARG A 76 -9.765 -1.730 6.816 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.101 -4.082 8.492 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.458 -4.365 8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.047 -2.711 9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.753 -2.325 6.702 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.712 -3.755 7.028 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.471 -2.502 9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.821 -1.067 8.420 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.708 -2.636 6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.199 0.040 9.020 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.687 0.869 8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.617 -1.565 6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.051 -0.035 6.948 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.673 -5.757 6.713 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.764 -6.697 5.603 1.00 0.00 C ATOM 1178 C ARG A 77 -11.220 -7.019 5.280 1.00 0.00 C ATOM 1179 O ARG A 77 -11.599 -7.123 4.114 1.00 0.00 O ATOM 1180 CB ARG A 77 -9.007 -7.985 5.935 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.504 -7.794 6.058 1.00 0.00 C ATOM 1182 CD ARG A 77 -6.782 -9.125 6.188 1.00 0.00 C ATOM 1183 NE ARG A 77 -5.350 -8.999 5.932 1.00 0.00 N ATOM 1184 CZ ARG A 77 -4.522 -10.035 5.854 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -4.983 -11.268 6.012 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -3.232 -9.839 5.618 1.00 0.00 N ATOM 0 H ARG A 77 -9.423 -6.182 7.606 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.311 -6.232 4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.391 -8.391 6.871 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.208 -8.725 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.131 -7.261 5.184 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.285 -7.174 6.927 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.937 -9.525 7.190 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.213 -9.841 5.489 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.964 -8.063 5.806 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.975 -11.422 6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.346 -12.062 5.952 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -2.874 -8.892 5.496 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.598 -10.636 5.558 1.00 0.00 H new ATOM 1200 N GLU A 78 -12.031 -7.177 6.322 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.444 -7.489 6.149 1.00 0.00 C ATOM 1202 C GLU A 78 -14.077 -6.580 5.099 1.00 0.00 C ATOM 1203 O GLU A 78 -15.049 -6.954 4.444 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.188 -7.345 7.478 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.094 -5.953 8.081 1.00 0.00 C ATOM 1206 CD GLU A 78 -15.203 -5.673 9.076 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -15.027 -6.003 10.268 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -16.246 -5.123 8.664 1.00 0.00 O ATOM 0 H GLU A 78 -11.733 -7.094 7.294 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.522 -8.521 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.238 -7.596 7.326 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.787 -8.068 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.130 -5.840 8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.131 -5.212 7.283 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.518 -5.384 4.945 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.025 -4.422 3.975 1.00 0.00 C ATOM 1217 C ALA A 79 -13.650 -4.827 2.553 1.00 0.00 C ATOM 1218 O ALA A 79 -14.483 -4.793 1.647 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.497 -3.030 4.286 1.00 0.00 C ATOM 0 H ALA A 79 -12.713 -5.058 5.480 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.113 -4.410 4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.884 -2.322 3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.820 -2.733 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.408 -3.036 4.244 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.391 -5.209 2.364 1.00 0.00 N ATOM 1226 CA VAL A 80 -11.906 -5.620 1.052 1.00 0.00 C ATOM 1227 C VAL A 80 -12.938 -6.478 0.329 1.00 0.00 C ATOM 1228 O VAL A 80 -13.169 -6.310 -0.868 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.587 -6.408 1.163 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.145 -6.905 -0.204 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.506 -5.549 1.802 1.00 0.00 C ATOM 0 H VAL A 80 -11.689 -5.242 3.103 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.730 -4.709 0.480 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.755 -7.275 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.212 -7.459 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.913 -7.558 -0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.993 -6.055 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.581 -6.121 1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.338 -4.662 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.823 -5.248 2.800 1.00 0.00 H new