USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 493 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 34 HIS : no HD1:sc= -2.75! C(o=-6.3!,f=-15!) USER MOD Set 1.2: A 49 CYS SG : rot 134:sc= -2.41 USER MOD Set 1.3: A 50 CYS SG : rot -55:sc= 0.904 USER MOD Set 1.4: A 66 CYS SG : rot -130:sc= -0.559 USER MOD Set 1.5: A 67 THR OG1 : rot -100:sc= -1.45 USER MOD Set 2.1: A 12 CYS SG : rot -3:sc= 0.237 USER MOD Set 2.2: A 14 ASN : amide:sc= -9.75! C(o=-27!,f=-30!) USER MOD Set 2.3: A 17 CYS SG : rot -163:sc= 0.372 USER MOD Set 2.4: A 31 CYS SG : rot 50:sc= -1.79 USER MOD Set 2.5: A 71 HIS : no HD1:sc= -3.93! K(o=-27!,f=-28) USER MOD Set 2.6: A 72 ASN : amide:sc= -12! C(o=-27!,f=-48!) USER MOD Single : A 8 MET CE :methyl 152:sc= -0.619 (180deg=-2.09!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0479 F(o=-0.96,f=-0.048) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.772 USER MOD Single : A 26 ASN : amide:sc= -6.79! C(o=-6.8!,f=-22!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0616 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -11.4! C(o=-11!,f=-21!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -150:sc= -0.429 (180deg=-1.67!) USER MOD Single : A 54 THR OG1 : rot 120:sc= -1.03 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -136:sc= 0.756 (180deg=0.0624) USER MOD Single : A 73 SER OG : rot 26:sc= 1.03 USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -0.938 (180deg=-1.4) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -0.925 13.851 -1.585 1.00 0.00 N ATOM 67 CA MET A 8 0.526 13.873 -1.732 1.00 0.00 C ATOM 68 C MET A 8 1.116 12.484 -1.508 1.00 0.00 C ATOM 69 O MET A 8 2.335 12.316 -1.472 1.00 0.00 O ATOM 70 CB MET A 8 1.145 14.868 -0.748 1.00 0.00 C ATOM 71 CG MET A 8 0.628 14.718 0.673 1.00 0.00 C ATOM 72 SD MET A 8 0.974 16.164 1.694 1.00 0.00 S ATOM 73 CE MET A 8 0.338 17.474 0.652 1.00 0.00 C ATOM 0 HA MET A 8 0.759 14.187 -2.749 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.228 14.740 -0.747 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.944 15.882 -1.094 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.448 14.545 0.648 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.082 13.838 1.130 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.015 18.309 1.274 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.120 17.809 -0.029 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.509 17.102 0.076 1.00 0.00 H new ATOM 83 N ALA A 9 0.245 11.493 -1.357 1.00 0.00 N ATOM 84 CA ALA A 9 0.680 10.119 -1.138 1.00 0.00 C ATOM 85 C ALA A 9 1.110 9.464 -2.447 1.00 0.00 C ATOM 86 O ALA A 9 0.273 9.048 -3.249 1.00 0.00 O ATOM 87 CB ALA A 9 -0.429 9.312 -0.482 1.00 0.00 C ATOM 0 H ALA A 9 -0.767 11.616 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 9 1.542 10.139 -0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.090 8.288 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.687 9.760 0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.307 9.308 -1.128 1.00 0.00 H new ATOM 93 N LEU A 10 2.419 9.377 -2.657 1.00 0.00 N ATOM 94 CA LEU A 10 2.962 8.774 -3.869 1.00 0.00 C ATOM 95 C LEU A 10 3.004 7.254 -3.748 1.00 0.00 C ATOM 96 O LEU A 10 3.410 6.713 -2.718 1.00 0.00 O ATOM 97 CB LEU A 10 4.365 9.314 -4.149 1.00 0.00 C ATOM 98 CG LEU A 10 4.537 10.828 -4.024 1.00 0.00 C ATOM 99 CD1 LEU A 10 5.875 11.262 -4.603 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.393 11.555 -4.718 1.00 0.00 C ATOM 0 H LEU A 10 3.124 9.717 -2.003 1.00 0.00 H new ATOM 0 HA LEU A 10 2.307 9.037 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.062 8.831 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.652 9.018 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 10 4.519 11.090 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.980 12.343 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.683 10.768 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.922 10.986 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.532 12.631 -4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.379 11.287 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.447 11.268 -4.258 1.00 0.00 H new ATOM 112 N LEU A 11 2.587 6.569 -4.807 1.00 0.00 N ATOM 113 CA LEU A 11 2.578 5.110 -4.821 1.00 0.00 C ATOM 114 C LEU A 11 3.974 4.561 -5.106 1.00 0.00 C ATOM 115 O LEU A 11 4.625 4.965 -6.069 1.00 0.00 O ATOM 116 CB LEU A 11 1.592 4.596 -5.870 1.00 0.00 C ATOM 117 CG LEU A 11 1.503 3.077 -6.021 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.654 2.397 -4.669 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.189 2.681 -6.675 1.00 0.00 C ATOM 0 H LEU A 11 2.250 7.001 -5.668 1.00 0.00 H new ATOM 0 HA LEU A 11 2.264 4.763 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.600 4.975 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.865 5.022 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 11 2.319 2.747 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.588 1.316 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.622 2.653 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.860 2.733 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.144 1.596 -6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.642 3.024 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.121 3.138 -7.662 1.00 0.00 H new ATOM 131 N CYS A 12 4.424 3.638 -4.263 1.00 0.00 N ATOM 132 CA CYS A 12 5.740 3.031 -4.425 1.00 0.00 C ATOM 133 C CYS A 12 5.677 1.845 -5.383 1.00 0.00 C ATOM 134 O CYS A 12 4.748 1.039 -5.331 1.00 0.00 O ATOM 135 CB CYS A 12 6.285 2.577 -3.069 1.00 0.00 C ATOM 136 SG CYS A 12 8.061 2.172 -3.080 1.00 0.00 S ATOM 0 H CYS A 12 3.897 3.294 -3.461 1.00 0.00 H new ATOM 0 HA CYS A 12 6.410 3.781 -4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.107 3.364 -2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.726 1.702 -2.739 1.00 0.00 H new ATOM 0 HG CYS A 12 8.526 2.293 -4.288 1.00 0.00 H new ATOM 141 N TYR A 13 6.674 1.746 -6.257 1.00 0.00 N ATOM 142 CA TYR A 13 6.731 0.661 -7.229 1.00 0.00 C ATOM 143 C TYR A 13 7.917 -0.258 -6.949 1.00 0.00 C ATOM 144 O TYR A 13 8.267 -1.106 -7.768 1.00 0.00 O ATOM 145 CB TYR A 13 6.832 1.223 -8.648 1.00 0.00 C ATOM 146 CG TYR A 13 5.587 1.950 -9.101 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.498 1.251 -9.611 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.497 3.334 -9.020 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.358 1.911 -10.027 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.359 4.001 -9.432 1.00 0.00 C ATOM 151 CZ TYR A 13 3.293 3.285 -9.935 1.00 0.00 C ATOM 152 OH TYR A 13 2.160 3.947 -10.348 1.00 0.00 O ATOM 0 H TYR A 13 7.452 2.403 -6.312 1.00 0.00 H new ATOM 0 HA TYR A 13 5.813 0.079 -7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.680 1.906 -8.700 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.037 0.406 -9.340 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.544 0.174 -9.683 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.331 3.898 -8.628 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.522 1.353 -10.422 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.305 5.077 -9.360 1.00 0.00 H new ATOM 0 HH TYR A 13 2.277 4.911 -10.215 1.00 0.00 H new ATOM 162 N ASN A 14 8.531 -0.082 -5.783 1.00 0.00 N ATOM 163 CA ASN A 14 9.677 -0.894 -5.393 1.00 0.00 C ATOM 164 C ASN A 14 9.231 -2.278 -4.931 1.00 0.00 C ATOM 165 O ASN A 14 8.396 -2.406 -4.035 1.00 0.00 O ATOM 166 CB ASN A 14 10.465 -0.202 -4.279 1.00 0.00 C ATOM 167 CG ASN A 14 11.229 1.010 -4.777 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.751 1.012 -5.891 1.00 0.00 O ATOM 169 ND2 ASN A 14 11.295 2.048 -3.952 1.00 0.00 N ATOM 0 H ASN A 14 8.254 0.616 -5.092 1.00 0.00 H new ATOM 0 HA ASN A 14 10.321 -1.011 -6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.779 0.104 -3.489 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.164 -0.912 -3.837 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.794 2.892 -4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.847 2.002 -3.037 1.00 0.00 H new ATOM 176 N ARG A 15 9.795 -3.312 -5.548 1.00 0.00 N ATOM 177 CA ARG A 15 9.455 -4.687 -5.201 1.00 0.00 C ATOM 178 C ARG A 15 9.433 -4.876 -3.687 1.00 0.00 C ATOM 179 O ARG A 15 10.386 -4.524 -2.993 1.00 0.00 O ATOM 180 CB ARG A 15 10.455 -5.657 -5.832 1.00 0.00 C ATOM 181 CG ARG A 15 10.970 -5.203 -7.189 1.00 0.00 C ATOM 182 CD ARG A 15 11.400 -6.385 -8.045 1.00 0.00 C ATOM 183 NE ARG A 15 11.629 -5.999 -9.434 1.00 0.00 N ATOM 184 CZ ARG A 15 11.552 -6.846 -10.455 1.00 0.00 C ATOM 185 NH1 ARG A 15 11.252 -8.120 -10.242 1.00 0.00 N ATOM 186 NH2 ARG A 15 11.774 -6.419 -11.691 1.00 0.00 N ATOM 0 H ARG A 15 10.489 -3.223 -6.290 1.00 0.00 H new ATOM 0 HA ARG A 15 8.459 -4.898 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.300 -5.785 -5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.983 -6.633 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.191 -4.642 -7.706 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.813 -4.526 -7.052 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.312 -6.818 -7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.634 -7.159 -8.005 1.00 0.00 H new ATOM 0 HE ARG A 15 11.861 -5.026 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.080 -8.452 -9.293 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.193 -8.768 -11.027 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.004 -5.440 -11.859 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.715 -7.070 -12.474 1.00 0.00 H new ATOM 200 N GLY A 16 8.337 -5.434 -3.181 1.00 0.00 N ATOM 201 CA GLY A 16 8.212 -5.659 -1.753 1.00 0.00 C ATOM 202 C GLY A 16 7.398 -4.580 -1.066 1.00 0.00 C ATOM 203 O GLY A 16 6.853 -4.798 0.017 1.00 0.00 O ATOM 0 H GLY A 16 7.534 -5.734 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.744 -6.628 -1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.205 -5.700 -1.306 1.00 0.00 H new ATOM 207 N CYS A 17 7.316 -3.413 -1.694 1.00 0.00 N ATOM 208 CA CYS A 17 6.566 -2.294 -1.136 1.00 0.00 C ATOM 209 C CYS A 17 5.194 -2.175 -1.797 1.00 0.00 C ATOM 210 O CYS A 17 4.169 -2.462 -1.181 1.00 0.00 O ATOM 211 CB CYS A 17 7.344 -0.990 -1.314 1.00 0.00 C ATOM 212 SG CYS A 17 7.063 0.230 0.009 1.00 0.00 S ATOM 0 H CYS A 17 7.760 -3.217 -2.591 1.00 0.00 H new ATOM 0 HA CYS A 17 6.423 -2.481 -0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.409 -1.218 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.070 -0.543 -2.270 1.00 0.00 H new ATOM 0 HG CYS A 17 7.454 1.403 -0.392 1.00 0.00 H new ATOM 217 N GLY A 18 5.186 -1.749 -3.057 1.00 0.00 N ATOM 218 CA GLY A 18 3.938 -1.599 -3.781 1.00 0.00 C ATOM 219 C GLY A 18 2.885 -0.864 -2.976 1.00 0.00 C ATOM 220 O GLY A 18 1.694 -0.955 -3.271 1.00 0.00 O ATOM 0 H GLY A 18 6.022 -1.505 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.123 -1.059 -4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.560 -2.584 -4.055 1.00 0.00 H new ATOM 224 N GLN A 19 3.325 -0.134 -1.956 1.00 0.00 N ATOM 225 CA GLN A 19 2.411 0.617 -1.104 1.00 0.00 C ATOM 226 C GLN A 19 2.615 2.119 -1.279 1.00 0.00 C ATOM 227 O GLN A 19 3.562 2.554 -1.933 1.00 0.00 O ATOM 228 CB GLN A 19 2.613 0.231 0.362 1.00 0.00 C ATOM 229 CG GLN A 19 2.158 -1.183 0.686 1.00 0.00 C ATOM 230 CD GLN A 19 1.612 -1.313 2.094 1.00 0.00 C ATOM 231 OE1 GLN A 19 2.028 -0.411 2.976 1.00 0.00 O flip ATOM 232 NE2 GLN A 19 0.825 -2.214 2.387 1.00 0.00 N flip ATOM 0 H GLN A 19 4.308 -0.047 -1.700 1.00 0.00 H new ATOM 0 HA GLN A 19 1.392 0.369 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.669 0.331 0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.067 0.933 0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.391 -1.486 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.997 -1.868 0.561 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.532 -2.886 1.678 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.466 -2.288 3.339 1.00 0.00 H new ATOM 241 N ARG A 20 1.720 2.905 -0.689 1.00 0.00 N ATOM 242 CA ARG A 20 1.801 4.358 -0.781 1.00 0.00 C ATOM 243 C ARG A 20 2.819 4.909 0.213 1.00 0.00 C ATOM 244 O ARG A 20 3.356 4.173 1.041 1.00 0.00 O ATOM 245 CB ARG A 20 0.429 4.984 -0.523 1.00 0.00 C ATOM 246 CG ARG A 20 -0.588 4.692 -1.614 1.00 0.00 C ATOM 247 CD ARG A 20 -0.442 5.652 -2.784 1.00 0.00 C ATOM 248 NE ARG A 20 -1.693 5.813 -3.520 1.00 0.00 N ATOM 249 CZ ARG A 20 -2.255 4.845 -4.235 1.00 0.00 C ATOM 250 NH1 ARG A 20 -1.679 3.652 -4.310 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.394 5.068 -4.877 1.00 0.00 N ATOM 0 H ARG A 20 0.931 2.560 -0.142 1.00 0.00 H new ATOM 0 HA ARG A 20 2.126 4.616 -1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.044 4.617 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.544 6.063 -0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.463 3.668 -1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.595 4.767 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.110 6.623 -2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.331 5.285 -3.459 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.161 6.719 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.803 3.477 -3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.112 2.910 -4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.840 5.984 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.824 4.324 -5.426 1.00 0.00 H new ATOM 265 N PHE A 21 3.080 6.209 0.124 1.00 0.00 N ATOM 266 CA PHE A 21 4.035 6.860 1.014 1.00 0.00 C ATOM 267 C PHE A 21 3.997 8.375 0.838 1.00 0.00 C ATOM 268 O PHE A 21 3.455 8.884 -0.143 1.00 0.00 O ATOM 269 CB PHE A 21 5.448 6.339 0.748 1.00 0.00 C ATOM 270 CG PHE A 21 6.031 6.823 -0.549 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.799 6.133 -1.728 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.811 7.968 -0.589 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.335 6.575 -2.922 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.349 8.415 -1.781 1.00 0.00 C ATOM 275 CZ PHE A 21 7.110 7.719 -2.950 1.00 0.00 C ATOM 0 H PHE A 21 2.644 6.833 -0.555 1.00 0.00 H new ATOM 0 HA PHE A 21 3.756 6.625 2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.100 6.645 1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.430 5.249 0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.192 5.240 -1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.000 8.517 0.322 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.148 6.027 -3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.956 9.308 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.527 8.068 -3.883 1.00 0.00 H new ATOM 285 N ASP A 22 4.577 9.090 1.796 1.00 0.00 N ATOM 286 CA ASP A 22 4.611 10.547 1.748 1.00 0.00 C ATOM 287 C ASP A 22 6.012 11.047 1.409 1.00 0.00 C ATOM 288 O ASP A 22 7.002 10.669 2.037 1.00 0.00 O ATOM 289 CB ASP A 22 4.156 11.134 3.085 1.00 0.00 C ATOM 290 CG ASP A 22 2.991 10.371 3.685 1.00 0.00 C ATOM 291 OD1 ASP A 22 2.415 9.516 2.980 1.00 0.00 O ATOM 292 OD2 ASP A 22 2.656 10.629 4.860 1.00 0.00 O ATOM 0 H ASP A 22 5.030 8.684 2.615 1.00 0.00 H new ATOM 0 HA ASP A 22 3.928 10.876 0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.991 11.126 3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.870 12.176 2.943 1.00 0.00 H new ATOM 297 N PRO A 23 6.101 11.917 0.392 1.00 0.00 N ATOM 298 CA PRO A 23 7.375 12.487 -0.054 1.00 0.00 C ATOM 299 C PRO A 23 7.959 13.464 0.961 1.00 0.00 C ATOM 300 O PRO A 23 9.156 13.434 1.246 1.00 0.00 O ATOM 301 CB PRO A 23 7.004 13.218 -1.347 1.00 0.00 C ATOM 302 CG PRO A 23 5.557 13.539 -1.199 1.00 0.00 C ATOM 303 CD PRO A 23 4.962 12.412 -0.401 1.00 0.00 C ATOM 0 HA PRO A 23 8.140 11.722 -0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.599 14.122 -1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.183 12.592 -2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.419 14.493 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.075 13.625 -2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.148 12.757 0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.554 11.634 -1.046 1.00 0.00 H new ATOM 311 N GLU A 24 7.108 14.328 1.504 1.00 0.00 N ATOM 312 CA GLU A 24 7.540 15.313 2.487 1.00 0.00 C ATOM 313 C GLU A 24 8.092 14.630 3.735 1.00 0.00 C ATOM 314 O GLU A 24 8.698 15.273 4.593 1.00 0.00 O ATOM 315 CB GLU A 24 6.378 16.234 2.867 1.00 0.00 C ATOM 316 CG GLU A 24 5.017 15.566 2.769 1.00 0.00 C ATOM 317 CD GLU A 24 4.302 15.887 1.471 1.00 0.00 C ATOM 318 OE1 GLU A 24 4.578 16.957 0.889 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.467 15.067 1.037 1.00 0.00 O ATOM 0 H GLU A 24 6.114 14.366 1.279 1.00 0.00 H new ATOM 0 HA GLU A 24 8.334 15.910 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.526 16.591 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.392 17.109 2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.139 14.486 2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.399 15.884 3.608 1.00 0.00 H new ATOM 326 N THR A 25 7.877 13.322 3.831 1.00 0.00 N ATOM 327 CA THR A 25 8.349 12.551 4.974 1.00 0.00 C ATOM 328 C THR A 25 9.300 11.443 4.535 1.00 0.00 C ATOM 329 O THR A 25 10.125 10.976 5.317 1.00 0.00 O ATOM 330 CB THR A 25 7.176 11.926 5.753 1.00 0.00 C ATOM 331 OG1 THR A 25 6.773 10.700 5.132 1.00 0.00 O ATOM 332 CG2 THR A 25 5.995 12.882 5.813 1.00 0.00 C ATOM 0 H THR A 25 7.378 12.774 3.130 1.00 0.00 H new ATOM 0 HA THR A 25 8.880 13.245 5.626 1.00 0.00 H new ATOM 0 HB THR A 25 7.511 11.724 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.028 10.308 5.634 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.179 12.418 6.368 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.297 13.802 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.661 13.112 4.801 1.00 0.00 H new ATOM 340 N ASN A 26 9.179 11.029 3.278 1.00 0.00 N ATOM 341 CA ASN A 26 10.028 9.976 2.735 1.00 0.00 C ATOM 342 C ASN A 26 11.469 10.142 3.208 1.00 0.00 C ATOM 343 O ASN A 26 11.986 11.257 3.280 1.00 0.00 O ATOM 344 CB ASN A 26 9.979 9.989 1.205 1.00 0.00 C ATOM 345 CG ASN A 26 10.755 8.841 0.592 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.660 8.285 1.215 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.406 8.480 -0.638 1.00 0.00 N ATOM 0 H ASN A 26 8.501 11.407 2.616 1.00 0.00 H new ATOM 0 HA ASN A 26 9.652 9.019 3.096 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.941 9.938 0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.383 10.933 0.839 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.894 7.714 -1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.650 8.968 -1.118 1.00 0.00 H new ATOM 354 N SER A 27 12.113 9.024 3.529 1.00 0.00 N ATOM 355 CA SER A 27 13.493 9.045 3.999 1.00 0.00 C ATOM 356 C SER A 27 14.257 7.822 3.499 1.00 0.00 C ATOM 357 O SER A 27 13.657 6.835 3.071 1.00 0.00 O ATOM 358 CB SER A 27 13.533 9.095 5.528 1.00 0.00 C ATOM 359 OG SER A 27 12.597 10.033 6.032 1.00 0.00 O ATOM 0 H SER A 27 11.701 8.093 3.472 1.00 0.00 H new ATOM 0 HA SER A 27 13.972 9.939 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.316 8.107 5.933 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.536 9.363 5.860 1.00 0.00 H new ATOM 0 HG SER A 27 12.641 10.045 7.011 1.00 0.00 H new ATOM 365 N ASP A 28 15.582 7.895 3.556 1.00 0.00 N ATOM 366 CA ASP A 28 16.427 6.794 3.111 1.00 0.00 C ATOM 367 C ASP A 28 16.198 5.552 3.965 1.00 0.00 C ATOM 368 O ASP A 28 16.717 4.476 3.667 1.00 0.00 O ATOM 369 CB ASP A 28 17.902 7.201 3.165 1.00 0.00 C ATOM 370 CG ASP A 28 18.553 6.839 4.486 1.00 0.00 C ATOM 371 OD1 ASP A 28 17.907 7.029 5.538 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.708 6.365 4.466 1.00 0.00 O ATOM 0 H ASP A 28 16.094 8.705 3.906 1.00 0.00 H new ATOM 0 HA ASP A 28 16.160 6.558 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.441 6.714 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.986 8.276 3.004 1.00 0.00 H new ATOM 377 N ASP A 29 15.418 5.708 5.029 1.00 0.00 N ATOM 378 CA ASP A 29 15.120 4.599 5.928 1.00 0.00 C ATOM 379 C ASP A 29 13.628 4.539 6.241 1.00 0.00 C ATOM 380 O ASP A 29 13.231 4.257 7.371 1.00 0.00 O ATOM 381 CB ASP A 29 15.920 4.735 7.224 1.00 0.00 C ATOM 382 CG ASP A 29 15.486 5.930 8.050 1.00 0.00 C ATOM 383 OD1 ASP A 29 14.411 6.494 7.756 1.00 0.00 O ATOM 384 OD2 ASP A 29 16.219 6.301 8.990 1.00 0.00 O ATOM 0 H ASP A 29 14.981 6.592 5.290 1.00 0.00 H new ATOM 0 HA ASP A 29 15.406 3.673 5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.805 3.827 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.980 4.827 6.985 1.00 0.00 H new ATOM 389 N ALA A 30 12.806 4.808 5.232 1.00 0.00 N ATOM 390 CA ALA A 30 11.358 4.784 5.399 1.00 0.00 C ATOM 391 C ALA A 30 10.708 3.816 4.416 1.00 0.00 C ATOM 392 O ALA A 30 9.528 3.488 4.541 1.00 0.00 O ATOM 393 CB ALA A 30 10.783 6.182 5.224 1.00 0.00 C ATOM 0 H ALA A 30 13.118 5.045 4.290 1.00 0.00 H new ATOM 0 HA ALA A 30 11.139 4.437 6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.701 6.149 5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.216 6.849 5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.020 6.550 4.226 1.00 0.00 H new ATOM 399 N CYS A 31 11.486 3.362 3.438 1.00 0.00 N ATOM 400 CA CYS A 31 10.986 2.432 2.433 1.00 0.00 C ATOM 401 C CYS A 31 11.733 1.104 2.502 1.00 0.00 C ATOM 402 O CYS A 31 12.956 1.059 2.376 1.00 0.00 O ATOM 403 CB CYS A 31 11.125 3.037 1.034 1.00 0.00 C ATOM 404 SG CYS A 31 10.623 1.918 -0.313 1.00 0.00 S ATOM 0 H CYS A 31 12.465 3.623 3.321 1.00 0.00 H new ATOM 0 HA CYS A 31 9.932 2.246 2.638 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.524 3.945 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.163 3.332 0.879 1.00 0.00 H new ATOM 0 HG CYS A 31 9.447 1.427 -0.054 1.00 0.00 H new ATOM 409 N THR A 32 10.986 0.021 2.701 1.00 0.00 N ATOM 410 CA THR A 32 11.577 -1.308 2.788 1.00 0.00 C ATOM 411 C THR A 32 11.198 -2.158 1.581 1.00 0.00 C ATOM 412 O THR A 32 10.120 -2.755 1.544 1.00 0.00 O ATOM 413 CB THR A 32 11.139 -2.036 4.073 1.00 0.00 C ATOM 414 OG1 THR A 32 10.878 -1.083 5.110 1.00 0.00 O ATOM 415 CG2 THR A 32 12.208 -3.015 4.532 1.00 0.00 C ATOM 0 H THR A 32 9.971 0.039 2.805 1.00 0.00 H new ATOM 0 HA THR A 32 12.658 -1.172 2.808 1.00 0.00 H new ATOM 0 HB THR A 32 10.228 -2.595 3.856 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.598 -1.553 5.923 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.876 -3.517 5.441 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.382 -3.756 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.133 -2.475 4.733 1.00 0.00 H new ATOM 423 N TYR A 33 12.087 -2.210 0.596 1.00 0.00 N ATOM 424 CA TYR A 33 11.842 -2.987 -0.614 1.00 0.00 C ATOM 425 C TYR A 33 12.974 -3.979 -0.862 1.00 0.00 C ATOM 426 O TYR A 33 13.894 -4.105 -0.052 1.00 0.00 O ATOM 427 CB TYR A 33 11.691 -2.058 -1.819 1.00 0.00 C ATOM 428 CG TYR A 33 12.913 -1.207 -2.086 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.195 -0.097 -1.301 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.785 -1.516 -3.123 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.309 0.683 -1.542 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.903 -0.742 -3.371 1.00 0.00 C ATOM 433 CZ TYR A 33 15.160 0.356 -2.577 1.00 0.00 C ATOM 434 OH TYR A 33 16.272 1.130 -2.820 1.00 0.00 O ATOM 0 H TYR A 33 12.984 -1.724 0.611 1.00 0.00 H new ATOM 0 HA TYR A 33 10.916 -3.546 -0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.476 -2.657 -2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.833 -1.406 -1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.532 0.161 -0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.586 -2.376 -3.746 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.513 1.544 -0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.571 -0.995 -4.181 1.00 0.00 H new ATOM 0 HH TYR A 33 16.766 0.763 -3.583 1.00 0.00 H new ATOM 444 N HIS A 34 12.901 -4.682 -1.988 1.00 0.00 N ATOM 445 CA HIS A 34 13.920 -5.663 -2.345 1.00 0.00 C ATOM 446 C HIS A 34 14.636 -5.259 -3.630 1.00 0.00 C ATOM 447 O HIS A 34 14.094 -5.362 -4.730 1.00 0.00 O ATOM 448 CB HIS A 34 13.290 -7.046 -2.511 1.00 0.00 C ATOM 449 CG HIS A 34 12.686 -7.585 -1.251 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.439 -8.069 -0.203 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.392 -7.712 -0.874 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.635 -8.473 0.765 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.387 -8.267 0.383 1.00 0.00 N ATOM 0 H HIS A 34 12.147 -4.591 -2.669 1.00 0.00 H new ATOM 0 HA HIS A 34 14.652 -5.700 -1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.520 -6.995 -3.280 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.050 -7.742 -2.866 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.525 -7.430 -1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.945 -8.899 1.708 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.555 -8.485 0.932 1.00 0.00 H new ATOM 461 N PRO A 35 15.884 -4.787 -3.489 1.00 0.00 N ATOM 462 CA PRO A 35 16.701 -4.358 -4.628 1.00 0.00 C ATOM 463 C PRO A 35 17.138 -5.529 -5.502 1.00 0.00 C ATOM 464 O PRO A 35 17.876 -5.352 -6.470 1.00 0.00 O ATOM 465 CB PRO A 35 17.917 -3.703 -3.966 1.00 0.00 C ATOM 466 CG PRO A 35 18.008 -4.344 -2.624 1.00 0.00 C ATOM 467 CD PRO A 35 16.594 -4.637 -2.207 1.00 0.00 C ATOM 0 HA PRO A 35 16.152 -3.694 -5.296 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.823 -3.872 -4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.789 -2.624 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.599 -5.259 -2.668 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.497 -3.683 -1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.532 -5.544 -1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.176 -3.828 -1.608 1.00 0.00 H new ATOM 475 N GLY A 36 16.675 -6.726 -5.154 1.00 0.00 N ATOM 476 CA GLY A 36 17.028 -7.908 -5.918 1.00 0.00 C ATOM 477 C GLY A 36 15.928 -8.332 -6.871 1.00 0.00 C ATOM 478 O GLY A 36 15.196 -7.495 -7.398 1.00 0.00 O ATOM 0 H GLY A 36 16.062 -6.898 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.939 -7.713 -6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.247 -8.727 -5.233 1.00 0.00 H new ATOM 482 N VAL A 37 15.813 -9.638 -7.095 1.00 0.00 N ATOM 483 CA VAL A 37 14.795 -10.172 -7.992 1.00 0.00 C ATOM 484 C VAL A 37 14.134 -11.410 -7.398 1.00 0.00 C ATOM 485 O VAL A 37 14.710 -12.114 -6.568 1.00 0.00 O ATOM 486 CB VAL A 37 15.391 -10.531 -9.367 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.297 -9.345 -10.315 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.833 -10.993 -9.218 1.00 0.00 C ATOM 0 H VAL A 37 16.412 -10.345 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 37 14.046 -9.391 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 37 14.813 -11.352 -9.792 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.723 -9.617 -11.281 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.252 -9.065 -10.445 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.849 -8.502 -9.899 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.238 -11.242 -10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.427 -10.195 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.869 -11.873 -8.576 1.00 0.00 H new ATOM 498 N PRO A 38 12.896 -11.686 -7.832 1.00 0.00 N ATOM 499 CA PRO A 38 12.129 -12.842 -7.357 1.00 0.00 C ATOM 500 C PRO A 38 12.703 -14.163 -7.856 1.00 0.00 C ATOM 501 O PRO A 38 12.823 -14.384 -9.061 1.00 0.00 O ATOM 502 CB PRO A 38 10.736 -12.609 -7.945 1.00 0.00 C ATOM 503 CG PRO A 38 10.969 -11.763 -9.149 1.00 0.00 C ATOM 504 CD PRO A 38 12.148 -10.891 -8.821 1.00 0.00 C ATOM 0 HA PRO A 38 12.140 -12.920 -6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.256 -13.551 -8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.083 -12.108 -7.230 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.171 -12.379 -10.025 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.090 -11.161 -9.379 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.750 -10.680 -9.705 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.836 -9.930 -8.411 1.00 0.00 H new ATOM 512 N VAL A 39 13.057 -15.040 -6.921 1.00 0.00 N ATOM 513 CA VAL A 39 13.618 -16.341 -7.267 1.00 0.00 C ATOM 514 C VAL A 39 12.743 -17.473 -6.743 1.00 0.00 C ATOM 515 O VAL A 39 12.045 -17.320 -5.739 1.00 0.00 O ATOM 516 CB VAL A 39 15.042 -16.505 -6.704 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.191 -15.744 -5.395 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.373 -17.978 -6.514 1.00 0.00 C ATOM 0 H VAL A 39 12.965 -14.873 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 39 13.657 -16.390 -8.355 1.00 0.00 H new ATOM 0 HB VAL A 39 15.748 -16.086 -7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.204 -15.872 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 39 14.999 -14.685 -5.566 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.477 -16.129 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.383 -18.076 -6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.663 -18.423 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.310 -18.492 -7.473 1.00 0.00 H new ATOM 528 N PHE A 40 12.783 -18.611 -7.428 1.00 0.00 N ATOM 529 CA PHE A 40 11.993 -19.770 -7.032 1.00 0.00 C ATOM 530 C PHE A 40 12.819 -21.050 -7.126 1.00 0.00 C ATOM 531 O PHE A 40 12.938 -21.648 -8.196 1.00 0.00 O ATOM 532 CB PHE A 40 10.747 -19.889 -7.912 1.00 0.00 C ATOM 533 CG PHE A 40 10.260 -18.571 -8.444 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.893 -17.553 -7.579 1.00 0.00 C ATOM 535 CD2 PHE A 40 10.170 -18.351 -9.809 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.446 -16.339 -8.066 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.726 -17.139 -10.301 1.00 0.00 C ATOM 538 CZ PHE A 40 9.361 -16.132 -9.428 1.00 0.00 C ATOM 0 H PHE A 40 13.355 -18.755 -8.260 1.00 0.00 H new ATOM 0 HA PHE A 40 11.686 -19.632 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.966 -20.551 -8.750 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.948 -20.357 -7.336 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.957 -17.710 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.450 -19.136 -10.496 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.163 -15.553 -7.381 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.664 -16.979 -11.367 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.010 -15.185 -9.811 1.00 0.00 H new ATOM 548 N HIS A 41 13.389 -21.464 -5.999 1.00 0.00 N ATOM 549 CA HIS A 41 14.205 -22.672 -5.953 1.00 0.00 C ATOM 550 C HIS A 41 13.649 -23.664 -4.936 1.00 0.00 C ATOM 551 O HIS A 41 13.359 -23.303 -3.795 1.00 0.00 O ATOM 552 CB HIS A 41 15.651 -22.323 -5.603 1.00 0.00 C ATOM 553 CG HIS A 41 15.785 -21.494 -4.363 1.00 0.00 C ATOM 554 ND1 HIS A 41 15.418 -21.945 -3.113 1.00 0.00 N ATOM 555 CD2 HIS A 41 16.250 -20.235 -4.185 1.00 0.00 C ATOM 556 CE1 HIS A 41 15.649 -21.000 -2.220 1.00 0.00 C ATOM 557 NE2 HIS A 41 16.154 -19.951 -2.845 1.00 0.00 N ATOM 0 H HIS A 41 13.301 -20.981 -5.105 1.00 0.00 H new ATOM 0 HA HIS A 41 14.180 -23.136 -6.939 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.218 -23.245 -5.476 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.099 -21.786 -6.439 1.00 0.00 H new ATOM 0 HD1 HIS A 41 15.029 -22.866 -2.910 1.00 0.00 H new ATOM 0 HD2 HIS A 41 16.626 -19.577 -4.954 1.00 0.00 H new ATOM 0 HE1 HIS A 41 15.458 -21.072 -1.160 1.00 0.00 H new ATOM 565 N ASP A 42 13.500 -24.915 -5.358 1.00 0.00 N ATOM 566 CA ASP A 42 12.979 -25.960 -4.485 1.00 0.00 C ATOM 567 C ASP A 42 11.629 -25.556 -3.900 1.00 0.00 C ATOM 568 O ASP A 42 11.340 -25.829 -2.735 1.00 0.00 O ATOM 569 CB ASP A 42 13.970 -26.254 -3.358 1.00 0.00 C ATOM 570 CG ASP A 42 15.403 -26.311 -3.848 1.00 0.00 C ATOM 571 OD1 ASP A 42 15.623 -26.775 -4.987 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.306 -25.893 -3.093 1.00 0.00 O ATOM 0 H ASP A 42 13.733 -25.230 -6.300 1.00 0.00 H new ATOM 0 HA ASP A 42 12.841 -26.862 -5.081 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.882 -25.485 -2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.711 -27.203 -2.889 1.00 0.00 H new ATOM 577 N ALA A 43 10.807 -24.904 -4.716 1.00 0.00 N ATOM 578 CA ALA A 43 9.488 -24.463 -4.279 1.00 0.00 C ATOM 579 C ALA A 43 9.595 -23.300 -3.298 1.00 0.00 C ATOM 580 O ALA A 43 8.589 -22.819 -2.778 1.00 0.00 O ATOM 581 CB ALA A 43 8.727 -25.620 -3.648 1.00 0.00 C ATOM 0 H ALA A 43 11.031 -24.670 -5.683 1.00 0.00 H new ATOM 0 HA ALA A 43 8.939 -24.116 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.744 -25.276 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.610 -26.420 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.281 -25.993 -2.786 1.00 0.00 H new ATOM 587 N LEU A 44 10.821 -22.853 -3.049 1.00 0.00 N ATOM 588 CA LEU A 44 11.059 -21.746 -2.130 1.00 0.00 C ATOM 589 C LEU A 44 11.178 -20.426 -2.885 1.00 0.00 C ATOM 590 O LEU A 44 12.201 -20.146 -3.511 1.00 0.00 O ATOM 591 CB LEU A 44 12.331 -21.997 -1.317 1.00 0.00 C ATOM 592 CG LEU A 44 12.553 -23.435 -0.846 1.00 0.00 C ATOM 593 CD1 LEU A 44 13.988 -23.628 -0.379 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.576 -23.788 0.266 1.00 0.00 C ATOM 0 H LEU A 44 11.665 -23.240 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 44 10.208 -21.680 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.188 -21.697 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.313 -21.348 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 44 12.373 -24.105 -1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.127 -24.657 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.670 -23.416 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.196 -22.949 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.748 -24.815 0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.724 -23.113 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.555 -23.690 -0.102 1.00 0.00 H new ATOM 606 N LYS A 45 10.125 -19.617 -2.821 1.00 0.00 N ATOM 607 CA LYS A 45 10.111 -18.325 -3.496 1.00 0.00 C ATOM 608 C LYS A 45 10.723 -17.243 -2.611 1.00 0.00 C ATOM 609 O LYS A 45 10.236 -16.976 -1.514 1.00 0.00 O ATOM 610 CB LYS A 45 8.679 -17.940 -3.874 1.00 0.00 C ATOM 611 CG LYS A 45 8.007 -18.936 -4.803 1.00 0.00 C ATOM 612 CD LYS A 45 6.523 -18.645 -4.953 1.00 0.00 C ATOM 613 CE LYS A 45 5.753 -19.884 -5.384 1.00 0.00 C ATOM 614 NZ LYS A 45 5.981 -20.206 -6.820 1.00 0.00 N ATOM 0 H LYS A 45 9.270 -19.834 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 45 10.709 -18.410 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.085 -17.846 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.689 -16.960 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.486 -18.903 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.143 -19.946 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.125 -18.279 -4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.379 -17.852 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.055 -20.732 -4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.688 -19.728 -5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.439 -21.056 -7.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.669 -19.407 -7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.994 -20.380 -6.980 1.00 0.00 H new ATOM 628 N GLY A 46 11.793 -16.622 -3.098 1.00 0.00 N ATOM 629 CA GLY A 46 12.452 -15.575 -2.340 1.00 0.00 C ATOM 630 C GLY A 46 13.077 -14.519 -3.230 1.00 0.00 C ATOM 631 O GLY A 46 12.569 -14.233 -4.315 1.00 0.00 O ATOM 0 H GLY A 46 12.215 -16.825 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.729 -15.103 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.224 -16.018 -1.710 1.00 0.00 H new ATOM 635 N TRP A 47 14.179 -13.937 -2.772 1.00 0.00 N ATOM 636 CA TRP A 47 14.872 -12.905 -3.534 1.00 0.00 C ATOM 637 C TRP A 47 16.384 -13.062 -3.413 1.00 0.00 C ATOM 638 O TRP A 47 16.889 -13.539 -2.396 1.00 0.00 O ATOM 639 CB TRP A 47 14.450 -11.516 -3.052 1.00 0.00 C ATOM 640 CG TRP A 47 12.972 -11.285 -3.130 1.00 0.00 C ATOM 641 CD1 TRP A 47 12.024 -11.750 -2.265 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.274 -10.532 -4.127 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.776 -11.332 -2.665 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.903 -10.583 -3.804 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.672 -9.818 -5.261 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.934 -9.948 -4.575 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.708 -9.190 -6.025 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.351 -9.257 -5.679 1.00 0.00 C ATOM 0 H TRP A 47 14.612 -14.162 -1.876 1.00 0.00 H new ATOM 0 HA TRP A 47 14.597 -13.016 -4.583 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.778 -11.382 -2.021 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.961 -10.761 -3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.224 -12.357 -1.394 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.899 -11.545 -2.190 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.715 -9.759 -5.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.888 -9.999 -4.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 12.005 -8.638 -6.904 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.621 -8.753 -6.296 1.00 0.00 H new ATOM 659 N SER A 48 17.103 -12.657 -4.455 1.00 0.00 N ATOM 660 CA SER A 48 18.557 -12.755 -4.466 1.00 0.00 C ATOM 661 C SER A 48 19.186 -11.608 -3.680 1.00 0.00 C ATOM 662 O SER A 48 20.394 -11.379 -3.751 1.00 0.00 O ATOM 663 CB SER A 48 19.080 -12.750 -5.904 1.00 0.00 C ATOM 664 OG SER A 48 19.007 -11.452 -6.468 1.00 0.00 O ATOM 0 H SER A 48 16.701 -12.258 -5.303 1.00 0.00 H new ATOM 0 HA SER A 48 18.836 -13.695 -3.989 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.112 -13.100 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.498 -13.446 -6.508 1.00 0.00 H new ATOM 0 HG SER A 48 19.348 -11.475 -7.386 1.00 0.00 H new ATOM 670 N CYS A 49 18.356 -10.889 -2.931 1.00 0.00 N ATOM 671 CA CYS A 49 18.828 -9.765 -2.131 1.00 0.00 C ATOM 672 C CYS A 49 19.031 -10.178 -0.676 1.00 0.00 C ATOM 673 O CYS A 49 20.034 -9.830 -0.054 1.00 0.00 O ATOM 674 CB CYS A 49 17.833 -8.604 -2.209 1.00 0.00 C ATOM 675 SG CYS A 49 16.104 -9.084 -1.897 1.00 0.00 S ATOM 0 H CYS A 49 17.354 -11.065 -2.862 1.00 0.00 H new ATOM 0 HA CYS A 49 19.787 -9.442 -2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.123 -7.842 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.900 -8.148 -3.197 1.00 0.00 H new ATOM 0 HG CYS A 49 15.559 -8.235 -1.077 1.00 0.00 H new ATOM 680 N CYS A 50 18.069 -10.924 -0.140 1.00 0.00 N ATOM 681 CA CYS A 50 18.140 -11.386 1.241 1.00 0.00 C ATOM 682 C CYS A 50 18.118 -12.911 1.306 1.00 0.00 C ATOM 683 O CYS A 50 18.096 -13.587 0.278 1.00 0.00 O ATOM 684 CB CYS A 50 16.978 -10.813 2.052 1.00 0.00 C ATOM 685 SG CYS A 50 15.377 -10.845 1.183 1.00 0.00 S ATOM 0 H CYS A 50 17.232 -11.221 -0.642 1.00 0.00 H new ATOM 0 HA CYS A 50 19.080 -11.035 1.668 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.886 -11.375 2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.211 -9.783 2.324 1.00 0.00 H new ATOM 0 HG CYS A 50 15.491 -10.236 0.040 1.00 0.00 H new ATOM 690 N LYS A 51 18.126 -13.445 2.523 1.00 0.00 N ATOM 691 CA LYS A 51 18.106 -14.889 2.724 1.00 0.00 C ATOM 692 C LYS A 51 16.677 -15.396 2.884 1.00 0.00 C ATOM 693 O LYS A 51 16.399 -16.577 2.674 1.00 0.00 O ATOM 694 CB LYS A 51 18.932 -15.264 3.957 1.00 0.00 C ATOM 695 CG LYS A 51 20.314 -14.634 3.978 1.00 0.00 C ATOM 696 CD LYS A 51 21.250 -15.374 4.919 1.00 0.00 C ATOM 697 CE LYS A 51 21.929 -16.545 4.224 1.00 0.00 C ATOM 698 NZ LYS A 51 21.083 -17.771 4.251 1.00 0.00 N ATOM 0 H LYS A 51 18.146 -12.899 3.385 1.00 0.00 H new ATOM 0 HA LYS A 51 18.544 -15.360 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.390 -14.961 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.035 -16.348 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.732 -14.637 2.971 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.235 -13.592 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 51 22.006 -14.686 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 51 20.689 -15.736 5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.148 -16.277 3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.883 -16.751 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.693 -18.613 4.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.490 -17.765 5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.474 -17.791 3.408 1.00 0.00 H new ATOM 712 N ARG A 52 15.773 -14.495 3.254 1.00 0.00 N ATOM 713 CA ARG A 52 14.372 -14.852 3.441 1.00 0.00 C ATOM 714 C ARG A 52 13.892 -15.779 2.328 1.00 0.00 C ATOM 715 O ARG A 52 14.191 -15.561 1.154 1.00 0.00 O ATOM 716 CB ARG A 52 13.502 -13.593 3.479 1.00 0.00 C ATOM 717 CG ARG A 52 12.012 -13.883 3.555 1.00 0.00 C ATOM 718 CD ARG A 52 11.660 -14.654 4.817 1.00 0.00 C ATOM 719 NE ARG A 52 10.216 -14.821 4.970 1.00 0.00 N ATOM 720 CZ ARG A 52 9.646 -15.333 6.056 1.00 0.00 C ATOM 721 NH1 ARG A 52 10.394 -15.725 7.078 1.00 0.00 N ATOM 722 NH2 ARG A 52 8.326 -15.452 6.120 1.00 0.00 N ATOM 0 H ARG A 52 15.986 -13.513 3.430 1.00 0.00 H new ATOM 0 HA ARG A 52 14.283 -15.377 4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.790 -12.989 4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.702 -12.996 2.589 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.456 -12.946 3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.706 -14.456 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.138 -15.633 4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.059 -14.130 5.686 1.00 0.00 H new ATOM 0 HE ARG A 52 9.613 -14.529 4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.409 -15.634 7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.955 -16.118 7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.748 -15.150 5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.889 -15.845 6.954 1.00 0.00 H new ATOM 736 N ARG A 53 13.149 -16.814 2.705 1.00 0.00 N ATOM 737 CA ARG A 53 12.632 -17.776 1.739 1.00 0.00 C ATOM 738 C ARG A 53 11.340 -18.410 2.243 1.00 0.00 C ATOM 739 O ARG A 53 11.222 -18.760 3.418 1.00 0.00 O ATOM 740 CB ARG A 53 13.672 -18.863 1.462 1.00 0.00 C ATOM 741 CG ARG A 53 13.625 -19.402 0.042 1.00 0.00 C ATOM 742 CD ARG A 53 14.474 -18.564 -0.901 1.00 0.00 C ATOM 743 NE ARG A 53 15.898 -18.664 -0.591 1.00 0.00 N ATOM 744 CZ ARG A 53 16.823 -17.870 -1.120 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.474 -16.923 -1.980 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.098 -18.023 -0.787 1.00 0.00 N ATOM 0 H ARG A 53 12.891 -17.008 3.673 1.00 0.00 H new ATOM 0 HA ARG A 53 12.418 -17.243 0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.666 -18.461 1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.519 -19.687 2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.978 -20.433 0.031 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.593 -19.414 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.303 -18.888 -1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.162 -17.521 -0.840 1.00 0.00 H new ATOM 0 HE ARG A 53 16.199 -19.383 0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.494 -16.803 -2.237 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.185 -16.315 -2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.368 -18.750 -0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.808 -17.413 -1.193 1.00 0.00 H new ATOM 760 N THR A 54 10.368 -18.555 1.346 1.00 0.00 N ATOM 761 CA THR A 54 9.083 -19.145 1.699 1.00 0.00 C ATOM 762 C THR A 54 8.476 -19.890 0.516 1.00 0.00 C ATOM 763 O THR A 54 8.684 -19.517 -0.639 1.00 0.00 O ATOM 764 CB THR A 54 8.087 -18.075 2.183 1.00 0.00 C ATOM 765 OG1 THR A 54 6.910 -18.701 2.706 1.00 0.00 O ATOM 766 CG2 THR A 54 7.707 -17.138 1.046 1.00 0.00 C ATOM 0 H THR A 54 10.447 -18.271 0.369 1.00 0.00 H new ATOM 0 HA THR A 54 9.271 -19.849 2.510 1.00 0.00 H new ATOM 0 HB THR A 54 8.567 -17.492 2.969 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.796 -18.449 3.646 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.003 -16.390 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.601 -16.641 0.670 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.245 -17.710 0.242 1.00 0.00 H new ATOM 774 N THR A 55 7.724 -20.947 0.810 1.00 0.00 N ATOM 775 CA THR A 55 7.087 -21.745 -0.230 1.00 0.00 C ATOM 776 C THR A 55 5.693 -21.219 -0.550 1.00 0.00 C ATOM 777 O THR A 55 5.212 -21.352 -1.675 1.00 0.00 O ATOM 778 CB THR A 55 6.983 -23.225 0.182 1.00 0.00 C ATOM 779 OG1 THR A 55 5.915 -23.399 1.119 1.00 0.00 O ATOM 780 CG2 THR A 55 8.288 -23.708 0.799 1.00 0.00 C ATOM 0 H THR A 55 7.542 -21.270 1.760 1.00 0.00 H new ATOM 0 HA THR A 55 7.715 -21.666 -1.118 1.00 0.00 H new ATOM 0 HB THR A 55 6.781 -23.815 -0.712 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.855 -24.343 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.191 -24.756 1.082 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.095 -23.602 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.515 -23.113 1.684 1.00 0.00 H new ATOM 788 N ASP A 56 5.049 -20.621 0.446 1.00 0.00 N ATOM 789 CA ASP A 56 3.708 -20.073 0.270 1.00 0.00 C ATOM 790 C ASP A 56 3.747 -18.804 -0.576 1.00 0.00 C ATOM 791 O ASP A 56 4.217 -17.759 -0.126 1.00 0.00 O ATOM 792 CB ASP A 56 3.073 -19.775 1.630 1.00 0.00 C ATOM 793 CG ASP A 56 1.558 -19.757 1.570 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.010 -19.613 0.457 1.00 0.00 O ATOM 795 OD2 ASP A 56 0.922 -19.890 2.635 1.00 0.00 O ATOM 0 H ASP A 56 5.433 -20.503 1.384 1.00 0.00 H new ATOM 0 HA ASP A 56 3.103 -20.816 -0.249 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.396 -20.526 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.431 -18.811 1.991 1.00 0.00 H new ATOM 800 N PHE A 57 3.252 -18.904 -1.805 1.00 0.00 N ATOM 801 CA PHE A 57 3.231 -17.765 -2.716 1.00 0.00 C ATOM 802 C PHE A 57 2.785 -16.498 -1.992 1.00 0.00 C ATOM 803 O PHE A 57 3.252 -15.400 -2.297 1.00 0.00 O ATOM 804 CB PHE A 57 2.299 -18.046 -3.896 1.00 0.00 C ATOM 805 CG PHE A 57 1.884 -16.809 -4.640 1.00 0.00 C ATOM 806 CD1 PHE A 57 2.802 -16.095 -5.392 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.575 -16.358 -4.585 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.424 -14.957 -6.078 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.189 -15.221 -5.269 1.00 0.00 C ATOM 810 CZ PHE A 57 1.116 -14.518 -6.015 1.00 0.00 C ATOM 0 H PHE A 57 2.860 -19.762 -2.193 1.00 0.00 H new ATOM 0 HA PHE A 57 4.243 -17.612 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.796 -18.726 -4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.408 -18.557 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.827 -16.432 -5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.152 -16.902 -4.000 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.150 -14.412 -6.663 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.835 -14.882 -5.221 1.00 0.00 H new ATOM 0 HZ PHE A 57 0.818 -13.627 -6.548 1.00 0.00 H new ATOM 820 N SER A 58 1.882 -16.659 -1.032 1.00 0.00 N ATOM 821 CA SER A 58 1.369 -15.528 -0.267 1.00 0.00 C ATOM 822 C SER A 58 2.467 -14.916 0.598 1.00 0.00 C ATOM 823 O SER A 58 2.535 -13.698 0.763 1.00 0.00 O ATOM 824 CB SER A 58 0.197 -15.969 0.613 1.00 0.00 C ATOM 825 OG SER A 58 -0.888 -16.426 -0.176 1.00 0.00 O ATOM 0 H SER A 58 1.490 -17.562 -0.764 1.00 0.00 H new ATOM 0 HA SER A 58 1.021 -14.772 -0.971 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.522 -16.763 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.128 -15.136 1.236 1.00 0.00 H new ATOM 0 HG SER A 58 -1.624 -16.704 0.409 1.00 0.00 H new ATOM 831 N ASP A 59 3.323 -15.770 1.149 1.00 0.00 N ATOM 832 CA ASP A 59 4.418 -15.314 1.996 1.00 0.00 C ATOM 833 C ASP A 59 5.471 -14.578 1.174 1.00 0.00 C ATOM 834 O ASP A 59 5.976 -13.533 1.586 1.00 0.00 O ATOM 835 CB ASP A 59 5.056 -16.500 2.722 1.00 0.00 C ATOM 836 CG ASP A 59 4.198 -17.010 3.863 1.00 0.00 C ATOM 837 OD1 ASP A 59 2.957 -16.920 3.759 1.00 0.00 O ATOM 838 OD2 ASP A 59 4.769 -17.500 4.860 1.00 0.00 O ATOM 0 H ASP A 59 3.279 -16.781 1.024 1.00 0.00 H new ATOM 0 HA ASP A 59 4.011 -14.622 2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.227 -17.308 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.031 -16.204 3.109 1.00 0.00 H new ATOM 843 N PHE A 60 5.799 -15.131 0.011 1.00 0.00 N ATOM 844 CA PHE A 60 6.794 -14.528 -0.868 1.00 0.00 C ATOM 845 C PHE A 60 6.445 -13.073 -1.168 1.00 0.00 C ATOM 846 O PHE A 60 7.330 -12.233 -1.343 1.00 0.00 O ATOM 847 CB PHE A 60 6.898 -15.319 -2.173 1.00 0.00 C ATOM 848 CG PHE A 60 7.295 -14.479 -3.353 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.632 -14.238 -3.631 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.333 -13.930 -4.185 1.00 0.00 C ATOM 851 CE1 PHE A 60 9.000 -13.464 -4.715 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.695 -13.156 -5.272 1.00 0.00 C ATOM 853 CZ PHE A 60 8.030 -12.924 -5.538 1.00 0.00 C ATOM 0 H PHE A 60 5.390 -15.995 -0.345 1.00 0.00 H new ATOM 0 HA PHE A 60 7.757 -14.554 -0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.626 -16.120 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.938 -15.791 -2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.394 -14.660 -2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.287 -14.109 -3.982 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.045 -13.281 -4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.935 -12.733 -5.912 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.316 -12.322 -6.388 1.00 0.00 H new ATOM 863 N LEU A 61 5.150 -12.782 -1.226 1.00 0.00 N ATOM 864 CA LEU A 61 4.682 -11.429 -1.506 1.00 0.00 C ATOM 865 C LEU A 61 4.627 -10.597 -0.229 1.00 0.00 C ATOM 866 O LEU A 61 4.438 -9.382 -0.275 1.00 0.00 O ATOM 867 CB LEU A 61 3.299 -11.472 -2.160 1.00 0.00 C ATOM 868 CG LEU A 61 3.132 -12.464 -3.310 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.665 -12.813 -3.504 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.721 -11.898 -4.594 1.00 0.00 C ATOM 0 H LEU A 61 4.406 -13.465 -1.083 1.00 0.00 H new ATOM 0 HA LEU A 61 5.388 -10.961 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.563 -11.710 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.063 -10.474 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 61 3.672 -13.377 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.565 -13.521 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.274 -13.261 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.103 -11.908 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.593 -12.619 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.210 -10.970 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.783 -11.699 -4.450 1.00 0.00 H new ATOM 882 N SER A 62 4.799 -11.260 0.911 1.00 0.00 N ATOM 883 CA SER A 62 4.767 -10.581 2.201 1.00 0.00 C ATOM 884 C SER A 62 6.181 -10.271 2.686 1.00 0.00 C ATOM 885 O SER A 62 6.401 -9.295 3.403 1.00 0.00 O ATOM 886 CB SER A 62 4.038 -11.441 3.236 1.00 0.00 C ATOM 887 OG SER A 62 3.417 -10.636 4.222 1.00 0.00 O ATOM 0 H SER A 62 4.962 -12.265 0.967 1.00 0.00 H new ATOM 0 HA SER A 62 4.229 -9.641 2.076 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.288 -12.056 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.745 -12.122 3.710 1.00 0.00 H new ATOM 0 HG SER A 62 2.957 -11.209 4.870 1.00 0.00 H new ATOM 893 N ILE A 63 7.132 -11.108 2.289 1.00 0.00 N ATOM 894 CA ILE A 63 8.524 -10.923 2.682 1.00 0.00 C ATOM 895 C ILE A 63 8.873 -9.443 2.788 1.00 0.00 C ATOM 896 O ILE A 63 9.043 -8.760 1.778 1.00 0.00 O ATOM 897 CB ILE A 63 9.484 -11.595 1.683 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.312 -13.115 1.720 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.924 -11.212 1.992 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.876 -13.817 0.504 1.00 0.00 C ATOM 0 H ILE A 63 6.965 -11.921 1.696 1.00 0.00 H new ATOM 0 HA ILE A 63 8.642 -11.392 3.659 1.00 0.00 H new ATOM 0 HB ILE A 63 9.243 -11.245 0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.799 -13.506 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.251 -13.350 1.806 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.590 -11.695 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.036 -10.130 1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.178 -11.536 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.719 -14.891 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.372 -13.454 -0.392 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.944 -13.612 0.428 1.00 0.00 H new ATOM 912 N VAL A 64 8.981 -8.953 4.019 1.00 0.00 N ATOM 913 CA VAL A 64 9.312 -7.553 4.259 1.00 0.00 C ATOM 914 C VAL A 64 10.663 -7.197 3.648 1.00 0.00 C ATOM 915 O VAL A 64 11.655 -7.894 3.857 1.00 0.00 O ATOM 916 CB VAL A 64 9.342 -7.233 5.765 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.602 -5.752 5.992 1.00 0.00 C ATOM 918 CG2 VAL A 64 8.040 -7.662 6.426 1.00 0.00 C ATOM 0 H VAL A 64 8.844 -9.505 4.866 1.00 0.00 H new ATOM 0 HA VAL A 64 8.532 -6.957 3.785 1.00 0.00 H new ATOM 0 HB VAL A 64 10.157 -7.794 6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.620 -5.546 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.562 -5.480 5.554 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.811 -5.168 5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.078 -7.429 7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.207 -7.130 5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.902 -8.735 6.295 1.00 0.00 H new ATOM 928 N GLY A 65 10.694 -6.104 2.891 1.00 0.00 N ATOM 929 CA GLY A 65 11.928 -5.672 2.262 1.00 0.00 C ATOM 930 C GLY A 65 13.125 -5.805 3.181 1.00 0.00 C ATOM 931 O GLY A 65 13.017 -5.587 4.388 1.00 0.00 O ATOM 0 H GLY A 65 9.886 -5.510 2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.098 -6.261 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.828 -4.633 1.949 1.00 0.00 H new ATOM 935 N CYS A 66 14.271 -6.165 2.611 1.00 0.00 N ATOM 936 CA CYS A 66 15.493 -6.329 3.388 1.00 0.00 C ATOM 937 C CYS A 66 16.375 -5.087 3.283 1.00 0.00 C ATOM 938 O CYS A 66 17.356 -4.944 4.013 1.00 0.00 O ATOM 939 CB CYS A 66 16.266 -7.559 2.907 1.00 0.00 C ATOM 940 SG CYS A 66 16.837 -7.451 1.181 1.00 0.00 S ATOM 0 H CYS A 66 14.378 -6.349 1.613 1.00 0.00 H new ATOM 0 HA CYS A 66 15.215 -6.468 4.433 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.129 -7.708 3.555 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.631 -8.438 3.014 1.00 0.00 H new ATOM 0 HG CYS A 66 16.496 -8.531 0.543 1.00 0.00 H new ATOM 945 N THR A 67 16.018 -4.191 2.368 1.00 0.00 N ATOM 946 CA THR A 67 16.775 -2.962 2.166 1.00 0.00 C ATOM 947 C THR A 67 15.974 -1.743 2.608 1.00 0.00 C ATOM 948 O THR A 67 14.759 -1.818 2.789 1.00 0.00 O ATOM 949 CB THR A 67 17.181 -2.788 0.690 1.00 0.00 C ATOM 950 OG1 THR A 67 17.962 -3.909 0.261 1.00 0.00 O ATOM 951 CG2 THR A 67 17.974 -1.505 0.494 1.00 0.00 C ATOM 0 H THR A 67 15.209 -4.294 1.755 1.00 0.00 H new ATOM 0 HA THR A 67 17.675 -3.042 2.776 1.00 0.00 H new ATOM 0 HB THR A 67 16.272 -2.729 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.912 -3.670 0.275 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.249 -1.404 -0.556 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.365 -0.652 0.793 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.877 -1.538 1.104 1.00 0.00 H new ATOM 959 N LYS A 68 16.663 -0.620 2.782 1.00 0.00 N ATOM 960 CA LYS A 68 16.015 0.618 3.201 1.00 0.00 C ATOM 961 C LYS A 68 16.353 1.759 2.247 1.00 0.00 C ATOM 962 O LYS A 68 17.471 1.848 1.741 1.00 0.00 O ATOM 963 CB LYS A 68 16.444 0.985 4.623 1.00 0.00 C ATOM 964 CG LYS A 68 15.628 0.294 5.702 1.00 0.00 C ATOM 965 CD LYS A 68 14.406 1.111 6.087 1.00 0.00 C ATOM 966 CE LYS A 68 13.619 0.443 7.204 1.00 0.00 C ATOM 967 NZ LYS A 68 12.689 1.395 7.872 1.00 0.00 N ATOM 0 H LYS A 68 17.670 -0.542 2.639 1.00 0.00 H new ATOM 0 HA LYS A 68 14.937 0.459 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.495 0.728 4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.361 2.064 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.314 -0.688 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.250 0.132 6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.717 2.106 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.764 1.241 5.216 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.052 -0.395 6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.310 0.033 7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.745 1.269 8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.956 2.370 7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.716 1.212 7.553 1.00 0.00 H new ATOM 981 N GLY A 69 15.378 2.631 2.006 1.00 0.00 N ATOM 982 CA GLY A 69 15.592 3.755 1.114 1.00 0.00 C ATOM 983 C GLY A 69 14.368 4.639 0.990 1.00 0.00 C ATOM 984 O GLY A 69 13.556 4.719 1.913 1.00 0.00 O ATOM 0 H GLY A 69 14.444 2.579 2.413 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.430 4.349 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.870 3.384 0.127 1.00 0.00 H new ATOM 988 N ARG A 70 14.233 5.306 -0.151 1.00 0.00 N ATOM 989 CA ARG A 70 13.099 6.192 -0.390 1.00 0.00 C ATOM 990 C ARG A 70 12.139 5.581 -1.406 1.00 0.00 C ATOM 991 O ARG A 70 12.539 5.202 -2.507 1.00 0.00 O ATOM 992 CB ARG A 70 13.585 7.554 -0.887 1.00 0.00 C ATOM 993 CG ARG A 70 14.844 8.045 -0.188 1.00 0.00 C ATOM 994 CD ARG A 70 15.271 9.410 -0.703 1.00 0.00 C ATOM 995 NE ARG A 70 15.997 10.173 0.308 1.00 0.00 N ATOM 996 CZ ARG A 70 16.653 11.299 0.048 1.00 0.00 C ATOM 997 NH1 ARG A 70 16.673 11.789 -1.184 1.00 0.00 N ATOM 998 NH2 ARG A 70 17.291 11.937 1.021 1.00 0.00 N ATOM 0 H ARG A 70 14.895 5.250 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 70 12.568 6.326 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.775 7.493 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.791 8.287 -0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.667 8.099 0.886 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.650 7.328 -0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.901 9.285 -1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.391 9.971 -1.018 1.00 0.00 H new ATOM 0 HE ARG A 70 16.001 9.823 1.266 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.184 11.301 -1.935 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.177 12.653 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.278 11.563 1.970 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.794 12.801 0.820 1.00 0.00 H new ATOM 1012 N HIS A 71 10.868 5.489 -1.028 1.00 0.00 N ATOM 1013 CA HIS A 71 9.848 4.924 -1.906 1.00 0.00 C ATOM 1014 C HIS A 71 9.994 5.464 -3.326 1.00 0.00 C ATOM 1015 O HIS A 71 10.142 6.668 -3.531 1.00 0.00 O ATOM 1016 CB HIS A 71 8.451 5.240 -1.370 1.00 0.00 C ATOM 1017 CG HIS A 71 8.214 4.734 0.019 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.562 3.549 0.287 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.549 5.258 1.222 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.503 3.367 1.594 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.095 4.390 2.184 1.00 0.00 N ATOM 0 H HIS A 71 10.519 5.798 -0.121 1.00 0.00 H new ATOM 0 HA HIS A 71 9.984 3.843 -1.931 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.301 6.319 -1.385 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.708 4.805 -2.038 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.075 6.186 1.393 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.048 2.525 2.095 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.198 4.515 3.191 1.00 0.00 H new ATOM 1029 N ASN A 72 9.955 4.563 -4.303 1.00 0.00 N ATOM 1030 CA ASN A 72 10.084 4.949 -5.703 1.00 0.00 C ATOM 1031 C ASN A 72 8.720 5.262 -6.310 1.00 0.00 C ATOM 1032 O ASN A 72 7.931 4.360 -6.589 1.00 0.00 O ATOM 1033 CB ASN A 72 10.765 3.834 -6.500 1.00 0.00 C ATOM 1034 CG ASN A 72 9.896 2.597 -6.622 1.00 0.00 C ATOM 1035 OD1 ASN A 72 9.102 2.292 -5.732 1.00 0.00 O ATOM 1036 ND2 ASN A 72 10.043 1.877 -7.728 1.00 0.00 N ATOM 0 H ASN A 72 9.835 3.562 -4.151 1.00 0.00 H new ATOM 0 HA ASN A 72 10.698 5.849 -5.750 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.011 4.201 -7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.705 3.568 -6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.486 1.034 -7.866 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.713 2.167 -8.440 1.00 0.00 H new ATOM 1043 N SER A 73 8.450 6.548 -6.512 1.00 0.00 N ATOM 1044 CA SER A 73 7.179 6.981 -7.082 1.00 0.00 C ATOM 1045 C SER A 73 7.155 6.752 -8.591 1.00 0.00 C ATOM 1046 O SER A 73 6.198 7.122 -9.269 1.00 0.00 O ATOM 1047 CB SER A 73 6.938 8.461 -6.776 1.00 0.00 C ATOM 1048 OG SER A 73 6.101 9.053 -7.754 1.00 0.00 O ATOM 0 H SER A 73 9.094 7.308 -6.290 1.00 0.00 H new ATOM 0 HA SER A 73 6.384 6.389 -6.629 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.481 8.563 -5.792 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.891 8.988 -6.741 1.00 0.00 H new ATOM 0 HG SER A 73 5.535 8.364 -8.161 1.00 0.00 H new ATOM 1054 N GLU A 74 8.215 6.139 -9.107 1.00 0.00 N ATOM 1055 CA GLU A 74 8.316 5.860 -10.535 1.00 0.00 C ATOM 1056 C GLU A 74 8.658 4.393 -10.780 1.00 0.00 C ATOM 1057 O GLU A 74 9.636 3.873 -10.243 1.00 0.00 O ATOM 1058 CB GLU A 74 9.377 6.756 -11.178 1.00 0.00 C ATOM 1059 CG GLU A 74 9.023 8.234 -11.148 1.00 0.00 C ATOM 1060 CD GLU A 74 10.137 9.111 -11.687 1.00 0.00 C ATOM 1061 OE1 GLU A 74 11.275 8.612 -11.814 1.00 0.00 O ATOM 1062 OE2 GLU A 74 9.872 10.295 -11.980 1.00 0.00 O ATOM 0 H GLU A 74 9.016 5.826 -8.558 1.00 0.00 H new ATOM 0 HA GLU A 74 7.348 6.071 -10.990 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.326 6.608 -10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.523 6.447 -12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.119 8.399 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.797 8.529 -10.123 1.00 0.00 H new ATOM 1069 N LYS A 75 7.844 3.731 -11.594 1.00 0.00 N ATOM 1070 CA LYS A 75 8.057 2.324 -11.913 1.00 0.00 C ATOM 1071 C LYS A 75 9.516 2.063 -12.273 1.00 0.00 C ATOM 1072 O LYS A 75 10.115 2.873 -12.979 1.00 0.00 O ATOM 1073 CB LYS A 75 7.151 1.899 -13.071 1.00 0.00 C ATOM 1074 CG LYS A 75 5.785 1.409 -12.627 1.00 0.00 C ATOM 1075 CD LYS A 75 5.787 -0.088 -12.365 1.00 0.00 C ATOM 1076 CE LYS A 75 5.450 -0.875 -13.622 1.00 0.00 C ATOM 1077 NZ LYS A 75 6.523 -0.762 -14.650 1.00 0.00 N ATOM 0 H LYS A 75 7.029 4.147 -12.046 1.00 0.00 H new ATOM 0 HA LYS A 75 7.808 1.735 -11.030 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.022 2.743 -13.749 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.645 1.109 -13.636 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.485 1.937 -11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.046 1.644 -13.393 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.766 -0.392 -11.996 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.065 -0.322 -11.583 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.302 -1.924 -13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.510 -0.512 -14.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.379 -1.486 -15.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.489 0.182 -15.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.450 -0.904 -14.201 1.00 0.00 H new