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= -2.77! C(o=-6.6!,f=-14!) USER MOD Set 1.2: A 49 CYS SG : rot 136:sc= -2.73 USER MOD Set 1.3: A 50 CYS SG : rot -53:sc= 0.942 USER MOD Set 1.4: A 66 CYS SG : rot -135:sc= -0.379 USER MOD Set 1.5: A 67 THR OG1 : rot -100:sc= -1.68 USER MOD Set 2.1: A 12 CYS SG : rot 149:sc= -1.29 USER MOD Set 2.2: A 14 ASN : amide:sc= -6.93! C(o=-16!,f=-24!) USER MOD Set 2.3: A 17 CYS SG : rot -146:sc= 0.277 USER MOD Set 2.4: A 31 CYS SG : rot 47:sc= -0.559 USER MOD Set 2.5: A 71 HIS : no HD1:sc= -4.11! K(o=-16!,f=-19) USER MOD Set 2.6: A 72 ASN : amide:sc= -3.3! C(o=-16!,f=-19!) USER MOD Single : A 8 MET CE :methyl -127:sc= 0 (180deg=-0.0826) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.551 X(o=-0.55,f=-0.1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -3.04 K(o=-3,f=-10!) USER MOD Single : A 27 SER OG : rot 63:sc= 1.21 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= -8.78! C(o=-8.8!,f=-17!) USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 0.515 (180deg=-0.381!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -120:sc= -1.15 (180deg=-2.57!) USER MOD Single : A 54 THR OG1 : rot 110:sc= -1.07 USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000302 USER MOD Single : A 58 SER OG : rot 180:sc= -1.44 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 164:sc= -0.113 (180deg=-0.566) USER MOD Single : A 73 SER OG : rot 24:sc= 0.877 USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= -0.945! (180deg=-1.77) USER MOD ----------------------------------------------------------------- ATOM 66 N MET A 8 -0.849 14.051 -1.323 1.00 0.00 N ATOM 67 CA MET A 8 0.599 14.053 -1.499 1.00 0.00 C ATOM 68 C MET A 8 1.165 12.644 -1.364 1.00 0.00 C ATOM 69 O MET A 8 2.380 12.454 -1.333 1.00 0.00 O ATOM 70 CB MET A 8 1.256 14.981 -0.476 1.00 0.00 C ATOM 71 CG MET A 8 0.481 15.097 0.826 1.00 0.00 C ATOM 72 SD MET A 8 -0.674 16.481 0.826 1.00 0.00 S ATOM 73 CE MET A 8 0.449 17.858 1.056 1.00 0.00 C ATOM 0 HA MET A 8 0.818 14.418 -2.503 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.260 14.617 -0.260 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.364 15.973 -0.914 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.067 14.171 1.002 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.182 15.214 1.652 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.117 18.461 1.901 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.453 17.480 1.252 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.462 18.472 0.155 1.00 0.00 H new ATOM 83 N ALA A 9 0.276 11.659 -1.283 1.00 0.00 N ATOM 84 CA ALA A 9 0.689 10.267 -1.153 1.00 0.00 C ATOM 85 C ALA A 9 1.074 9.679 -2.507 1.00 0.00 C ATOM 86 O ALA A 9 0.214 9.410 -3.346 1.00 0.00 O ATOM 87 CB ALA A 9 -0.422 9.445 -0.515 1.00 0.00 C ATOM 0 H ALA A 9 -0.734 11.799 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 9 1.568 10.233 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.101 8.407 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.647 9.843 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.315 9.495 -1.138 1.00 0.00 H new ATOM 93 N LEU A 10 2.372 9.483 -2.713 1.00 0.00 N ATOM 94 CA LEU A 10 2.870 8.927 -3.966 1.00 0.00 C ATOM 95 C LEU A 10 2.948 7.406 -3.895 1.00 0.00 C ATOM 96 O LEU A 10 3.294 6.839 -2.857 1.00 0.00 O ATOM 97 CB LEU A 10 4.250 9.505 -4.290 1.00 0.00 C ATOM 98 CG LEU A 10 4.452 10.984 -3.957 1.00 0.00 C ATOM 99 CD1 LEU A 10 5.818 11.456 -4.433 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.349 11.827 -4.579 1.00 0.00 C ATOM 0 H LEU A 10 3.097 9.701 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 10 2.173 9.200 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.000 8.926 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.441 9.363 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 10 4.405 11.102 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.944 12.510 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.596 10.873 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.893 11.323 -5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.509 12.876 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.363 11.703 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.383 11.506 -4.190 1.00 0.00 H new ATOM 112 N LEU A 11 2.627 6.749 -5.004 1.00 0.00 N ATOM 113 CA LEU A 11 2.663 5.292 -5.068 1.00 0.00 C ATOM 114 C LEU A 11 4.089 4.791 -5.270 1.00 0.00 C ATOM 115 O LEU A 11 4.743 5.127 -6.258 1.00 0.00 O ATOM 116 CB LEU A 11 1.768 4.790 -6.203 1.00 0.00 C ATOM 117 CG LEU A 11 1.744 3.276 -6.417 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.833 2.547 -5.086 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.485 2.865 -7.169 1.00 0.00 C ATOM 0 H LEU A 11 2.339 7.202 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 11 2.292 4.902 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.749 5.126 -6.012 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.091 5.263 -7.130 1.00 0.00 H new ATOM 0 HG LEU A 11 2.610 2.999 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.814 1.471 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.762 2.818 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.987 2.829 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.484 1.785 -7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.394 3.155 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.463 3.360 -8.140 1.00 0.00 H new ATOM 131 N CYS A 12 4.566 3.983 -4.328 1.00 0.00 N ATOM 132 CA CYS A 12 5.915 3.433 -4.403 1.00 0.00 C ATOM 133 C CYS A 12 6.019 2.400 -5.521 1.00 0.00 C ATOM 134 O CYS A 12 5.064 1.677 -5.804 1.00 0.00 O ATOM 135 CB CYS A 12 6.301 2.796 -3.067 1.00 0.00 C ATOM 136 SG CYS A 12 8.066 2.359 -2.935 1.00 0.00 S ATOM 0 H CYS A 12 4.038 3.695 -3.504 1.00 0.00 H new ATOM 0 HA CYS A 12 6.603 4.249 -4.622 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.047 3.485 -2.261 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.703 1.897 -2.919 1.00 0.00 H new ATOM 0 HG CYS A 12 8.445 2.453 -1.695 1.00 0.00 H new ATOM 141 N TYR A 13 7.186 2.337 -6.152 1.00 0.00 N ATOM 142 CA TYR A 13 7.417 1.394 -7.241 1.00 0.00 C ATOM 143 C TYR A 13 8.648 0.536 -6.967 1.00 0.00 C ATOM 144 O TYR A 13 9.464 0.301 -7.856 1.00 0.00 O ATOM 145 CB TYR A 13 7.587 2.143 -8.564 1.00 0.00 C ATOM 146 CG TYR A 13 6.281 2.614 -9.165 1.00 0.00 C ATOM 147 CD1 TYR A 13 5.521 1.774 -9.968 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.811 3.900 -8.930 1.00 0.00 C ATOM 149 CE1 TYR A 13 4.328 2.201 -10.520 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.618 4.335 -9.476 1.00 0.00 C ATOM 151 CZ TYR A 13 3.882 3.482 -10.271 1.00 0.00 C ATOM 152 OH TYR A 13 2.694 3.911 -10.818 1.00 0.00 O ATOM 0 H TYR A 13 7.987 2.928 -5.929 1.00 0.00 H new ATOM 0 HA TYR A 13 6.549 0.739 -7.311 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.235 3.005 -8.404 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.092 1.493 -9.278 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.868 0.770 -10.165 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.387 4.571 -8.310 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.749 1.535 -11.143 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.265 5.337 -9.281 1.00 0.00 H new ATOM 0 HH TYR A 13 2.523 4.836 -10.545 1.00 0.00 H new ATOM 162 N ASN A 14 8.773 0.070 -5.728 1.00 0.00 N ATOM 163 CA ASN A 14 9.903 -0.763 -5.336 1.00 0.00 C ATOM 164 C ASN A 14 9.434 -2.146 -4.897 1.00 0.00 C ATOM 165 O ASN A 14 8.618 -2.276 -3.985 1.00 0.00 O ATOM 166 CB ASN A 14 10.686 -0.095 -4.203 1.00 0.00 C ATOM 167 CG ASN A 14 11.297 1.228 -4.624 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.810 1.362 -5.735 1.00 0.00 O ATOM 169 ND2 ASN A 14 11.244 2.213 -3.735 1.00 0.00 N ATOM 0 H ASN A 14 8.106 0.255 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 14 10.555 -0.878 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.023 0.068 -3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.476 -0.766 -3.866 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.638 3.126 -3.961 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.809 2.057 -2.826 1.00 0.00 H new ATOM 176 N ARG A 15 9.956 -3.178 -5.553 1.00 0.00 N ATOM 177 CA ARG A 15 9.590 -4.552 -5.232 1.00 0.00 C ATOM 178 C ARG A 15 9.510 -4.754 -3.722 1.00 0.00 C ATOM 179 O ARG A 15 10.483 -4.531 -3.003 1.00 0.00 O ATOM 180 CB ARG A 15 10.604 -5.526 -5.835 1.00 0.00 C ATOM 181 CG ARG A 15 11.118 -5.101 -7.201 1.00 0.00 C ATOM 182 CD ARG A 15 11.490 -6.303 -8.055 1.00 0.00 C ATOM 183 NE ARG A 15 11.567 -5.964 -9.473 1.00 0.00 N ATOM 184 CZ ARG A 15 12.587 -5.310 -10.018 1.00 0.00 C ATOM 185 NH1 ARG A 15 13.611 -4.927 -9.266 1.00 0.00 N ATOM 186 NH2 ARG A 15 12.584 -5.037 -11.316 1.00 0.00 N ATOM 0 H ARG A 15 10.634 -3.088 -6.310 1.00 0.00 H new ATOM 0 HA ARG A 15 8.607 -4.750 -5.660 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.449 -5.626 -5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.144 -6.510 -5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.355 -4.513 -7.711 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.989 -4.457 -7.079 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.450 -6.699 -7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.752 -7.092 -7.911 1.00 0.00 H new ATOM 0 HE ARG A 15 10.796 -6.245 -10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.616 -5.135 -8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 15 14.393 -4.425 -9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.798 -5.329 -11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.368 -4.535 -11.733 1.00 0.00 H new ATOM 200 N GLY A 16 8.344 -5.179 -3.247 1.00 0.00 N ATOM 201 CA GLY A 16 8.158 -5.404 -1.826 1.00 0.00 C ATOM 202 C GLY A 16 7.349 -4.305 -1.165 1.00 0.00 C ATOM 203 O GLY A 16 6.872 -4.465 -0.041 1.00 0.00 O ATOM 0 H GLY A 16 7.524 -5.372 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.657 -6.360 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.132 -5.475 -1.342 1.00 0.00 H new ATOM 207 N CYS A 17 7.194 -3.185 -1.864 1.00 0.00 N ATOM 208 CA CYS A 17 6.441 -2.054 -1.338 1.00 0.00 C ATOM 209 C CYS A 17 5.188 -1.801 -2.173 1.00 0.00 C ATOM 210 O CYS A 17 4.069 -2.042 -1.721 1.00 0.00 O ATOM 211 CB CYS A 17 7.313 -0.797 -1.316 1.00 0.00 C ATOM 212 SG CYS A 17 6.936 0.346 0.051 1.00 0.00 S ATOM 0 H CYS A 17 7.580 -3.037 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 17 6.138 -2.295 -0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.359 -1.095 -1.248 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.193 -0.268 -2.261 1.00 0.00 H new ATOM 0 HG CYS A 17 7.129 1.570 -0.341 1.00 0.00 H new ATOM 217 N GLY A 18 5.385 -1.313 -3.394 1.00 0.00 N ATOM 218 CA GLY A 18 4.264 -1.036 -4.272 1.00 0.00 C ATOM 219 C GLY A 18 3.108 -0.377 -3.546 1.00 0.00 C ATOM 220 O GLY A 18 1.964 -0.444 -3.997 1.00 0.00 O ATOM 0 H GLY A 18 6.301 -1.105 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.594 -0.389 -5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.922 -1.967 -4.724 1.00 0.00 H new ATOM 224 N GLN A 19 3.405 0.261 -2.419 1.00 0.00 N ATOM 225 CA GLN A 19 2.382 0.933 -1.628 1.00 0.00 C ATOM 226 C GLN A 19 2.609 2.441 -1.610 1.00 0.00 C ATOM 227 O GLN A 19 3.700 2.917 -1.926 1.00 0.00 O ATOM 228 CB GLN A 19 2.372 0.389 -0.199 1.00 0.00 C ATOM 229 CG GLN A 19 1.844 -1.033 -0.092 1.00 0.00 C ATOM 230 CD GLN A 19 0.950 -1.234 1.114 1.00 0.00 C ATOM 231 OE1 GLN A 19 1.095 -2.208 1.854 1.00 0.00 O ATOM 232 NE2 GLN A 19 0.016 -0.312 1.320 1.00 0.00 N ATOM 0 H GLN A 19 4.347 0.327 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 19 1.415 0.736 -2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.386 0.422 0.200 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.762 1.042 0.425 1.00 0.00 H new ATOM 0 HG2 GLN A 19 1.288 -1.279 -0.997 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.684 -1.725 -0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.069 0.479 0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.616 -0.395 2.116 1.00 0.00 H new ATOM 241 N ARG A 20 1.575 3.186 -1.238 1.00 0.00 N ATOM 242 CA ARG A 20 1.661 4.640 -1.180 1.00 0.00 C ATOM 243 C ARG A 20 2.672 5.083 -0.125 1.00 0.00 C ATOM 244 O ARG A 20 3.186 4.265 0.639 1.00 0.00 O ATOM 245 CB ARG A 20 0.290 5.243 -0.872 1.00 0.00 C ATOM 246 CG ARG A 20 -0.674 5.198 -2.047 1.00 0.00 C ATOM 247 CD ARG A 20 -0.408 6.328 -3.029 1.00 0.00 C ATOM 248 NE ARG A 20 -1.401 7.394 -2.917 1.00 0.00 N ATOM 249 CZ ARG A 20 -2.707 7.199 -3.055 1.00 0.00 C ATOM 250 NH1 ARG A 20 -3.176 5.985 -3.307 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.547 8.220 -2.939 1.00 0.00 N ATOM 0 H ARG A 20 0.666 2.807 -0.972 1.00 0.00 H new ATOM 0 HA ARG A 20 1.996 4.997 -2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.151 4.709 -0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.420 6.279 -0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.581 4.240 -2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.699 5.266 -1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.586 6.738 -2.850 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.412 5.934 -4.045 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.073 8.340 -2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.533 5.198 -3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.180 5.838 -3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.189 9.155 -2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.550 8.070 -3.045 1.00 0.00 H new ATOM 265 N PHE A 21 2.951 6.381 -0.089 1.00 0.00 N ATOM 266 CA PHE A 21 3.901 6.932 0.871 1.00 0.00 C ATOM 267 C PHE A 21 3.903 8.457 0.820 1.00 0.00 C ATOM 268 O PHE A 21 3.366 9.059 -0.111 1.00 0.00 O ATOM 269 CB PHE A 21 5.308 6.400 0.591 1.00 0.00 C ATOM 270 CG PHE A 21 5.922 6.957 -0.662 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.689 6.357 -1.889 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.731 8.080 -0.613 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.252 6.867 -3.044 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.297 8.595 -1.764 1.00 0.00 C ATOM 275 CZ PHE A 21 7.057 7.987 -2.981 1.00 0.00 C ATOM 0 H PHE A 21 2.533 7.071 -0.713 1.00 0.00 H new ATOM 0 HA PHE A 21 3.593 6.619 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.952 6.637 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.268 5.313 0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.060 5.481 -1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.922 8.559 0.336 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.062 6.390 -3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.926 9.471 -1.712 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.498 8.387 -3.882 1.00 0.00 H new ATOM 285 N ASP A 22 4.507 9.076 1.827 1.00 0.00 N ATOM 286 CA ASP A 22 4.580 10.531 1.899 1.00 0.00 C ATOM 287 C ASP A 22 6.004 11.017 1.648 1.00 0.00 C ATOM 288 O ASP A 22 6.939 10.678 2.374 1.00 0.00 O ATOM 289 CB ASP A 22 4.094 11.021 3.264 1.00 0.00 C ATOM 290 CG ASP A 22 2.849 10.293 3.730 1.00 0.00 C ATOM 291 OD1 ASP A 22 2.227 9.590 2.905 1.00 0.00 O ATOM 292 OD2 ASP A 22 2.495 10.425 4.920 1.00 0.00 O ATOM 0 H ASP A 22 4.954 8.593 2.606 1.00 0.00 H new ATOM 0 HA ASP A 22 3.933 10.941 1.123 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.887 10.885 3.999 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.888 12.090 3.211 1.00 0.00 H new ATOM 297 N PRO A 23 6.175 11.831 0.595 1.00 0.00 N ATOM 298 CA PRO A 23 7.483 12.380 0.224 1.00 0.00 C ATOM 299 C PRO A 23 7.983 13.413 1.227 1.00 0.00 C ATOM 300 O PRO A 23 9.174 13.471 1.529 1.00 0.00 O ATOM 301 CB PRO A 23 7.219 13.038 -1.133 1.00 0.00 C ATOM 302 CG PRO A 23 5.764 13.361 -1.121 1.00 0.00 C ATOM 303 CD PRO A 23 5.106 12.277 -0.313 1.00 0.00 C ATOM 0 HA PRO A 23 8.255 11.611 0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.823 13.936 -1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.469 12.366 -1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.585 14.341 -0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.363 13.391 -2.134 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.243 12.653 0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.751 11.464 -0.946 1.00 0.00 H new ATOM 311 N GLU A 24 7.066 14.226 1.741 1.00 0.00 N ATOM 312 CA GLU A 24 7.415 15.257 2.711 1.00 0.00 C ATOM 313 C GLU A 24 8.217 14.666 3.868 1.00 0.00 C ATOM 314 O GLU A 24 8.868 15.390 4.621 1.00 0.00 O ATOM 315 CB GLU A 24 6.153 15.937 3.245 1.00 0.00 C ATOM 316 CG GLU A 24 4.969 14.996 3.386 1.00 0.00 C ATOM 317 CD GLU A 24 3.873 15.564 4.268 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.615 16.782 4.184 1.00 0.00 O ATOM 319 OE2 GLU A 24 3.275 14.788 5.043 1.00 0.00 O ATOM 0 H GLU A 24 6.075 14.191 1.502 1.00 0.00 H new ATOM 0 HA GLU A 24 8.032 16.000 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.372 16.380 4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.880 16.754 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.561 14.782 2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.311 14.048 3.802 1.00 0.00 H new ATOM 326 N THR A 25 8.161 13.344 4.004 1.00 0.00 N ATOM 327 CA THR A 25 8.879 12.655 5.069 1.00 0.00 C ATOM 328 C THR A 25 9.757 11.542 4.509 1.00 0.00 C ATOM 329 O THR A 25 10.775 11.185 5.100 1.00 0.00 O ATOM 330 CB THR A 25 7.908 12.057 6.104 1.00 0.00 C ATOM 331 OG1 THR A 25 8.483 10.885 6.694 1.00 0.00 O ATOM 332 CG2 THR A 25 6.577 11.704 5.457 1.00 0.00 C ATOM 0 H THR A 25 7.626 12.730 3.390 1.00 0.00 H new ATOM 0 HA THR A 25 9.508 13.398 5.559 1.00 0.00 H new ATOM 0 HB THR A 25 7.731 12.804 6.878 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.861 10.511 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.908 11.283 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.128 12.603 5.034 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.740 10.973 4.665 1.00 0.00 H new ATOM 340 N ASN A 26 9.356 10.996 3.366 1.00 0.00 N ATOM 341 CA ASN A 26 10.106 9.922 2.726 1.00 0.00 C ATOM 342 C ASN A 26 11.608 10.111 2.930 1.00 0.00 C ATOM 343 O ASN A 26 12.161 11.160 2.601 1.00 0.00 O ATOM 344 CB ASN A 26 9.788 9.868 1.231 1.00 0.00 C ATOM 345 CG ASN A 26 10.434 8.680 0.544 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.060 7.841 1.190 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.282 8.605 -0.773 1.00 0.00 N ATOM 0 H ASN A 26 8.515 11.280 2.864 1.00 0.00 H new ATOM 0 HA ASN A 26 9.808 8.981 3.188 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.708 9.820 1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.129 10.788 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.693 7.828 -1.290 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.754 9.324 -1.267 1.00 0.00 H new ATOM 354 N SER A 27 12.258 9.088 3.475 1.00 0.00 N ATOM 355 CA SER A 27 13.694 9.143 3.726 1.00 0.00 C ATOM 356 C SER A 27 14.370 7.846 3.291 1.00 0.00 C ATOM 357 O SER A 27 13.705 6.881 2.915 1.00 0.00 O ATOM 358 CB SER A 27 13.964 9.400 5.210 1.00 0.00 C ATOM 359 OG SER A 27 13.351 10.603 5.639 1.00 0.00 O ATOM 0 H SER A 27 11.814 8.212 3.751 1.00 0.00 H new ATOM 0 HA SER A 27 14.110 9.964 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.587 8.565 5.801 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.039 9.454 5.383 1.00 0.00 H new ATOM 0 HG SER A 27 12.379 10.527 5.542 1.00 0.00 H new ATOM 365 N ASP A 28 15.698 7.832 3.346 1.00 0.00 N ATOM 366 CA ASP A 28 16.466 6.655 2.959 1.00 0.00 C ATOM 367 C ASP A 28 16.163 5.480 3.883 1.00 0.00 C ATOM 368 O ASP A 28 16.606 4.357 3.642 1.00 0.00 O ATOM 369 CB ASP A 28 17.964 6.967 2.984 1.00 0.00 C ATOM 370 CG ASP A 28 18.604 6.625 4.315 1.00 0.00 C ATOM 371 OD1 ASP A 28 19.017 5.461 4.493 1.00 0.00 O ATOM 372 OD2 ASP A 28 18.691 7.523 5.179 1.00 0.00 O ATOM 0 H ASP A 28 16.264 8.622 3.655 1.00 0.00 H new ATOM 0 HA ASP A 28 16.177 6.380 1.945 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.462 6.409 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.115 8.026 2.773 1.00 0.00 H new ATOM 377 N ASP A 29 15.406 5.747 4.942 1.00 0.00 N ATOM 378 CA ASP A 29 15.045 4.712 5.903 1.00 0.00 C ATOM 379 C ASP A 29 13.543 4.726 6.177 1.00 0.00 C ATOM 380 O ASP A 29 13.105 4.484 7.301 1.00 0.00 O ATOM 381 CB ASP A 29 15.816 4.907 7.210 1.00 0.00 C ATOM 382 CG ASP A 29 15.418 6.180 7.932 1.00 0.00 C ATOM 383 OD1 ASP A 29 14.370 6.175 8.609 1.00 0.00 O ATOM 384 OD2 ASP A 29 16.156 7.181 7.819 1.00 0.00 O ATOM 0 H ASP A 29 15.031 6.671 5.156 1.00 0.00 H new ATOM 0 HA ASP A 29 15.310 3.745 5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.641 4.052 7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.885 4.932 6.998 1.00 0.00 H new ATOM 389 N ALA A 30 12.761 5.014 5.141 1.00 0.00 N ATOM 390 CA ALA A 30 11.309 5.058 5.270 1.00 0.00 C ATOM 391 C ALA A 30 10.643 4.070 4.319 1.00 0.00 C ATOM 392 O ALA A 30 9.459 3.762 4.456 1.00 0.00 O ATOM 393 CB ALA A 30 10.800 6.468 5.010 1.00 0.00 C ATOM 0 H ALA A 30 13.108 5.220 4.204 1.00 0.00 H new ATOM 0 HA ALA A 30 11.050 4.771 6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.715 6.487 5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.243 7.154 5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.077 6.775 4.002 1.00 0.00 H new ATOM 399 N CYS A 31 11.411 3.575 3.354 1.00 0.00 N ATOM 400 CA CYS A 31 10.896 2.622 2.379 1.00 0.00 C ATOM 401 C CYS A 31 11.625 1.285 2.487 1.00 0.00 C ATOM 402 O CYS A 31 12.855 1.233 2.491 1.00 0.00 O ATOM 403 CB CYS A 31 11.042 3.181 0.962 1.00 0.00 C ATOM 404 SG CYS A 31 10.491 2.040 -0.348 1.00 0.00 S ATOM 0 H CYS A 31 12.393 3.819 3.227 1.00 0.00 H new ATOM 0 HA CYS A 31 9.839 2.458 2.591 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.471 4.106 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.087 3.437 0.790 1.00 0.00 H new ATOM 0 HG CYS A 31 9.330 1.546 -0.034 1.00 0.00 H new ATOM 409 N THR A 32 10.855 0.204 2.576 1.00 0.00 N ATOM 410 CA THR A 32 11.427 -1.132 2.686 1.00 0.00 C ATOM 411 C THR A 32 11.087 -1.977 1.463 1.00 0.00 C ATOM 412 O THR A 32 9.965 -2.463 1.324 1.00 0.00 O ATOM 413 CB THR A 32 10.924 -1.856 3.950 1.00 0.00 C ATOM 414 OG1 THR A 32 10.688 -0.907 4.996 1.00 0.00 O ATOM 415 CG2 THR A 32 11.934 -2.893 4.417 1.00 0.00 C ATOM 0 H THR A 32 9.835 0.228 2.574 1.00 0.00 H new ATOM 0 HA THR A 32 12.508 -1.009 2.752 1.00 0.00 H new ATOM 0 HB THR A 32 9.992 -2.365 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.367 -1.374 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.557 -3.391 5.310 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.090 -3.630 3.629 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.880 -2.402 4.647 1.00 0.00 H new ATOM 423 N TYR A 33 12.064 -2.148 0.579 1.00 0.00 N ATOM 424 CA TYR A 33 11.868 -2.932 -0.634 1.00 0.00 C ATOM 425 C TYR A 33 13.001 -3.937 -0.821 1.00 0.00 C ATOM 426 O TYR A 33 13.882 -4.064 0.031 1.00 0.00 O ATOM 427 CB TYR A 33 11.781 -2.013 -1.853 1.00 0.00 C ATOM 428 CG TYR A 33 13.047 -1.226 -2.110 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.295 -0.033 -1.441 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.995 -1.674 -3.021 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.448 0.690 -1.672 1.00 0.00 C ATOM 432 CE2 TYR A 33 15.153 -0.959 -3.258 1.00 0.00 C ATOM 433 CZ TYR A 33 15.375 0.223 -2.581 1.00 0.00 C ATOM 434 OH TYR A 33 16.527 0.939 -2.815 1.00 0.00 O ATOM 0 H TYR A 33 12.999 -1.754 0.680 1.00 0.00 H new ATOM 0 HA TYR A 33 10.931 -3.481 -0.534 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.551 -2.612 -2.734 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.953 -1.318 -1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.572 0.335 -0.728 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.824 -2.598 -3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.623 1.616 -1.144 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.880 -1.323 -3.969 1.00 0.00 H new ATOM 0 HH TYR A 33 17.073 0.472 -3.482 1.00 0.00 H new ATOM 444 N HIS A 34 12.972 -4.650 -1.943 1.00 0.00 N ATOM 445 CA HIS A 34 13.997 -5.644 -2.244 1.00 0.00 C ATOM 446 C HIS A 34 14.767 -5.264 -3.505 1.00 0.00 C ATOM 447 O HIS A 34 14.245 -5.307 -4.618 1.00 0.00 O ATOM 448 CB HIS A 34 13.362 -7.025 -2.417 1.00 0.00 C ATOM 449 CG HIS A 34 12.750 -7.564 -1.161 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.497 -8.007 -0.090 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.453 -7.728 -0.807 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.686 -8.422 0.867 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.441 -8.263 0.457 1.00 0.00 N ATOM 0 H HIS A 34 12.251 -4.558 -2.658 1.00 0.00 H new ATOM 0 HA HIS A 34 14.696 -5.675 -1.408 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.596 -6.969 -3.190 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.121 -7.723 -2.770 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.589 -7.483 -1.407 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.990 -8.823 1.823 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.606 -8.499 0.993 1.00 0.00 H new ATOM 461 N PRO A 35 16.042 -4.883 -3.327 1.00 0.00 N ATOM 462 CA PRO A 35 16.911 -4.488 -4.439 1.00 0.00 C ATOM 463 C PRO A 35 17.285 -5.668 -5.329 1.00 0.00 C ATOM 464 O PRO A 35 18.038 -5.517 -6.292 1.00 0.00 O ATOM 465 CB PRO A 35 18.153 -3.932 -3.737 1.00 0.00 C ATOM 466 CG PRO A 35 18.170 -4.605 -2.409 1.00 0.00 C ATOM 467 CD PRO A 35 16.730 -4.808 -2.028 1.00 0.00 C ATOM 0 HA PRO A 35 16.425 -3.774 -5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 35 19.059 -4.150 -4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.096 -2.849 -3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.698 -5.557 -2.461 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.687 -3.994 -1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.593 -5.720 -1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.355 -3.984 -1.421 1.00 0.00 H new ATOM 475 N GLY A 36 16.757 -6.842 -5.001 1.00 0.00 N ATOM 476 CA GLY A 36 17.048 -8.031 -5.782 1.00 0.00 C ATOM 477 C GLY A 36 15.915 -8.399 -6.721 1.00 0.00 C ATOM 478 O GLY A 36 15.186 -7.529 -7.197 1.00 0.00 O ATOM 0 H GLY A 36 16.133 -6.992 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.957 -7.868 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.244 -8.866 -5.109 1.00 0.00 H new ATOM 482 N VAL A 37 15.768 -9.692 -6.989 1.00 0.00 N ATOM 483 CA VAL A 37 14.717 -10.174 -7.878 1.00 0.00 C ATOM 484 C VAL A 37 14.052 -11.424 -7.315 1.00 0.00 C ATOM 485 O VAL A 37 14.636 -12.170 -6.530 1.00 0.00 O ATOM 486 CB VAL A 37 15.271 -10.488 -9.281 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.177 -9.263 -10.179 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.705 -10.985 -9.190 1.00 0.00 C ATOM 0 H VAL A 37 16.363 -10.425 -6.603 1.00 0.00 H new ATOM 0 HA VAL A 37 13.977 -9.377 -7.957 1.00 0.00 H new ATOM 0 HB VAL A 37 14.665 -11.279 -9.722 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.573 -9.504 -11.166 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.134 -8.958 -10.271 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.756 -8.448 -9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.079 -11.202 -10.191 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.327 -10.218 -8.728 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.738 -11.892 -8.586 1.00 0.00 H new ATOM 498 N PRO A 38 12.795 -11.660 -7.724 1.00 0.00 N ATOM 499 CA PRO A 38 12.021 -12.820 -7.273 1.00 0.00 C ATOM 500 C PRO A 38 12.557 -14.131 -7.840 1.00 0.00 C ATOM 501 O PRO A 38 12.503 -14.364 -9.048 1.00 0.00 O ATOM 502 CB PRO A 38 10.616 -12.540 -7.811 1.00 0.00 C ATOM 503 CG PRO A 38 10.831 -11.651 -8.988 1.00 0.00 C ATOM 504 CD PRO A 38 12.035 -10.813 -8.659 1.00 0.00 C ATOM 0 HA PRO A 38 12.062 -12.941 -6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.111 -13.462 -8.098 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.993 -12.057 -7.058 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.998 -12.235 -9.893 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.957 -11.025 -9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.616 -10.577 -9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.752 -9.864 -8.203 1.00 0.00 H new ATOM 512 N VAL A 39 13.073 -14.983 -6.961 1.00 0.00 N ATOM 513 CA VAL A 39 13.618 -16.271 -7.374 1.00 0.00 C ATOM 514 C VAL A 39 12.780 -17.422 -6.830 1.00 0.00 C ATOM 515 O VAL A 39 12.222 -17.336 -5.736 1.00 0.00 O ATOM 516 CB VAL A 39 15.073 -16.443 -6.901 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.255 -15.857 -5.509 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.472 -17.911 -6.926 1.00 0.00 C ATOM 0 H VAL A 39 13.125 -14.805 -5.958 1.00 0.00 H new ATOM 0 HA VAL A 39 13.593 -16.290 -8.464 1.00 0.00 H new ATOM 0 HB VAL A 39 15.725 -15.901 -7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.289 -15.988 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.013 -14.794 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.593 -16.368 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.503 -18.014 -6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.816 -18.478 -6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.383 -18.295 -7.942 1.00 0.00 H new ATOM 528 N PHE A 40 12.694 -18.501 -7.602 1.00 0.00 N ATOM 529 CA PHE A 40 11.922 -19.670 -7.198 1.00 0.00 C ATOM 530 C PHE A 40 12.754 -20.943 -7.328 1.00 0.00 C ATOM 531 O PHE A 40 12.849 -21.529 -8.407 1.00 0.00 O ATOM 532 CB PHE A 40 10.655 -19.788 -8.046 1.00 0.00 C ATOM 533 CG PHE A 40 10.150 -18.469 -8.558 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.925 -17.414 -7.689 1.00 0.00 C ATOM 535 CD2 PHE A 40 9.900 -18.285 -9.908 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.462 -16.199 -8.156 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.438 -17.071 -10.382 1.00 0.00 C ATOM 538 CZ PHE A 40 9.217 -16.028 -9.504 1.00 0.00 C ATOM 0 H PHE A 40 13.149 -18.590 -8.510 1.00 0.00 H new ATOM 0 HA PHE A 40 11.641 -19.545 -6.152 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.854 -20.445 -8.893 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.873 -20.261 -7.452 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.114 -17.543 -6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.068 -19.099 -10.598 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.292 -15.384 -7.468 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.250 -16.939 -11.437 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.853 -15.080 -9.871 1.00 0.00 H new ATOM 548 N HIS A 41 13.358 -21.364 -6.221 1.00 0.00 N ATOM 549 CA HIS A 41 14.182 -22.567 -6.210 1.00 0.00 C ATOM 550 C HIS A 41 13.665 -23.571 -5.184 1.00 0.00 C ATOM 551 O HIS A 41 13.427 -23.224 -4.027 1.00 0.00 O ATOM 552 CB HIS A 41 15.637 -22.210 -5.904 1.00 0.00 C ATOM 553 CG HIS A 41 15.816 -21.491 -4.602 1.00 0.00 C ATOM 554 ND1 HIS A 41 16.647 -21.945 -3.600 1.00 0.00 N ATOM 555 CD2 HIS A 41 15.267 -20.343 -4.143 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.601 -21.108 -2.579 1.00 0.00 C ATOM 557 NE2 HIS A 41 15.771 -20.126 -2.883 1.00 0.00 N ATOM 0 H HIS A 41 13.292 -20.890 -5.320 1.00 0.00 H new ATOM 0 HA HIS A 41 14.128 -23.024 -7.198 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.231 -23.124 -5.890 1.00 0.00 H new ATOM 0 HB3 HIS A 41 16.027 -21.588 -6.710 1.00 0.00 H new ATOM 0 HD1 HIS A 41 17.210 -22.795 -3.641 1.00 0.00 H new ATOM 0 HD2 HIS A 41 14.564 -19.714 -4.669 1.00 0.00 H new ATOM 0 HE1 HIS A 41 17.149 -21.209 -1.654 1.00 0.00 H new ATOM 565 N ASP A 42 13.493 -24.816 -5.615 1.00 0.00 N ATOM 566 CA ASP A 42 13.005 -25.870 -4.734 1.00 0.00 C ATOM 567 C ASP A 42 11.692 -25.462 -4.074 1.00 0.00 C ATOM 568 O ASP A 42 11.477 -25.714 -2.889 1.00 0.00 O ATOM 569 CB ASP A 42 14.049 -26.194 -3.664 1.00 0.00 C ATOM 570 CG ASP A 42 15.464 -26.163 -4.208 1.00 0.00 C ATOM 571 OD1 ASP A 42 15.639 -26.405 -5.420 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.397 -25.897 -3.421 1.00 0.00 O ATOM 0 H ASP A 42 13.685 -25.120 -6.570 1.00 0.00 H new ATOM 0 HA ASP A 42 12.826 -26.760 -5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.961 -25.478 -2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.844 -27.180 -3.248 1.00 0.00 H new ATOM 577 N ALA A 43 10.819 -24.829 -4.849 1.00 0.00 N ATOM 578 CA ALA A 43 9.525 -24.386 -4.340 1.00 0.00 C ATOM 579 C ALA A 43 9.691 -23.246 -3.341 1.00 0.00 C ATOM 580 O ALA A 43 8.712 -22.754 -2.778 1.00 0.00 O ATOM 581 CB ALA A 43 8.785 -25.550 -3.698 1.00 0.00 C ATOM 0 H ALA A 43 10.983 -24.611 -5.832 1.00 0.00 H new ATOM 0 HA ALA A 43 8.938 -24.016 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.821 -25.206 -3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.627 -26.334 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.376 -25.946 -2.872 1.00 0.00 H new ATOM 587 N LEU A 44 10.934 -22.831 -3.124 1.00 0.00 N ATOM 588 CA LEU A 44 11.226 -21.748 -2.191 1.00 0.00 C ATOM 589 C LEU A 44 11.333 -20.413 -2.922 1.00 0.00 C ATOM 590 O LEU A 44 12.383 -20.073 -3.467 1.00 0.00 O ATOM 591 CB LEU A 44 12.528 -22.035 -1.439 1.00 0.00 C ATOM 592 CG LEU A 44 12.792 -23.500 -1.092 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.215 -23.680 -0.587 1.00 0.00 C ATOM 594 CD2 LEU A 44 11.792 -23.993 -0.057 1.00 0.00 C ATOM 0 H LEU A 44 11.755 -23.227 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 44 10.405 -21.686 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.360 -21.669 -2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.525 -21.458 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 44 12.670 -24.095 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.385 -24.729 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.918 -23.367 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.364 -23.073 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.996 -25.038 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.881 -23.394 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.781 -23.901 -0.455 1.00 0.00 H new ATOM 606 N LYS A 45 10.238 -19.660 -2.929 1.00 0.00 N ATOM 607 CA LYS A 45 10.208 -18.360 -3.589 1.00 0.00 C ATOM 608 C LYS A 45 10.790 -17.278 -2.686 1.00 0.00 C ATOM 609 O LYS A 45 10.251 -16.989 -1.619 1.00 0.00 O ATOM 610 CB LYS A 45 8.773 -17.997 -3.978 1.00 0.00 C ATOM 611 CG LYS A 45 8.090 -19.048 -4.836 1.00 0.00 C ATOM 612 CD LYS A 45 6.585 -18.844 -4.876 1.00 0.00 C ATOM 613 CE LYS A 45 5.887 -19.623 -3.772 1.00 0.00 C ATOM 614 NZ LYS A 45 6.318 -21.049 -3.742 1.00 0.00 N ATOM 0 H LYS A 45 9.360 -19.928 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 45 10.818 -18.423 -4.490 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.188 -17.844 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.780 -17.049 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.490 -19.008 -5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.313 -20.040 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.358 -17.783 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.200 -19.160 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.100 -19.159 -2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.808 -19.573 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.673 -21.594 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.298 -21.438 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.285 -21.112 -3.363 1.00 0.00 H new ATOM 628 N GLY A 46 11.896 -16.681 -3.124 1.00 0.00 N ATOM 629 CA GLY A 46 12.532 -15.636 -2.343 1.00 0.00 C ATOM 630 C GLY A 46 13.139 -14.552 -3.212 1.00 0.00 C ATOM 631 O GLY A 46 12.668 -14.300 -4.321 1.00 0.00 O ATOM 0 H GLY A 46 12.361 -16.902 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.798 -15.191 -1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.310 -16.075 -1.719 1.00 0.00 H new ATOM 635 N TRP A 47 14.186 -13.909 -2.707 1.00 0.00 N ATOM 636 CA TRP A 47 14.858 -12.844 -3.445 1.00 0.00 C ATOM 637 C TRP A 47 16.372 -13.008 -3.379 1.00 0.00 C ATOM 638 O TRP A 47 16.906 -13.530 -2.401 1.00 0.00 O ATOM 639 CB TRP A 47 14.455 -11.478 -2.888 1.00 0.00 C ATOM 640 CG TRP A 47 12.977 -11.229 -2.934 1.00 0.00 C ATOM 641 CD1 TRP A 47 12.042 -11.682 -2.048 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.267 -10.471 -3.919 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.792 -11.251 -2.422 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.903 -10.505 -3.566 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.649 -9.764 -5.062 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.924 -9.861 -4.317 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.675 -9.126 -5.807 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.326 -9.177 -5.432 1.00 0.00 C ATOM 0 H TRP A 47 14.588 -14.106 -1.790 1.00 0.00 H new ATOM 0 HA TRP A 47 14.550 -12.908 -4.489 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.797 -11.399 -1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.965 -10.698 -3.454 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.254 -12.290 -1.181 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.923 -11.453 -1.928 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.687 -9.717 -5.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.884 -9.900 -4.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.959 -8.579 -6.694 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.589 -8.667 -6.035 1.00 0.00 H new ATOM 659 N SER A 48 17.057 -12.558 -4.425 1.00 0.00 N ATOM 660 CA SER A 48 18.510 -12.658 -4.487 1.00 0.00 C ATOM 661 C SER A 48 19.167 -11.549 -3.671 1.00 0.00 C ATOM 662 O SER A 48 20.372 -11.320 -3.769 1.00 0.00 O ATOM 663 CB SER A 48 18.986 -12.589 -5.939 1.00 0.00 C ATOM 664 OG SER A 48 18.740 -11.309 -6.496 1.00 0.00 O ATOM 0 H SER A 48 16.629 -12.121 -5.241 1.00 0.00 H new ATOM 0 HA SER A 48 18.801 -13.619 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.052 -12.811 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.475 -13.350 -6.529 1.00 0.00 H new ATOM 0 HG SER A 48 19.055 -11.290 -7.424 1.00 0.00 H new ATOM 670 N CYS A 49 18.363 -10.862 -2.865 1.00 0.00 N ATOM 671 CA CYS A 49 18.863 -9.775 -2.032 1.00 0.00 C ATOM 672 C CYS A 49 19.056 -10.240 -0.591 1.00 0.00 C ATOM 673 O CYS A 49 20.112 -10.026 0.006 1.00 0.00 O ATOM 674 CB CYS A 49 17.899 -8.588 -2.072 1.00 0.00 C ATOM 675 SG CYS A 49 16.154 -9.039 -1.804 1.00 0.00 S ATOM 0 H CYS A 49 17.363 -11.039 -2.772 1.00 0.00 H new ATOM 0 HA CYS A 49 19.829 -9.462 -2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.197 -7.865 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.991 -8.091 -3.038 1.00 0.00 H new ATOM 0 HG CYS A 49 15.606 -8.187 -0.989 1.00 0.00 H new ATOM 680 N CYS A 50 18.029 -10.876 -0.038 1.00 0.00 N ATOM 681 CA CYS A 50 18.084 -11.371 1.333 1.00 0.00 C ATOM 682 C CYS A 50 18.083 -12.896 1.360 1.00 0.00 C ATOM 683 O CYS A 50 18.069 -13.548 0.315 1.00 0.00 O ATOM 684 CB CYS A 50 16.899 -10.834 2.138 1.00 0.00 C ATOM 685 SG CYS A 50 15.319 -10.841 1.232 1.00 0.00 S ATOM 0 H CYS A 50 17.148 -11.061 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 50 19.011 -11.018 1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.789 -11.431 3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.120 -9.814 2.453 1.00 0.00 H new ATOM 0 HG CYS A 50 15.465 -10.217 0.101 1.00 0.00 H new ATOM 690 N LYS A 51 18.098 -13.461 2.563 1.00 0.00 N ATOM 691 CA LYS A 51 18.098 -14.909 2.729 1.00 0.00 C ATOM 692 C LYS A 51 16.677 -15.438 2.891 1.00 0.00 C ATOM 693 O LYS A 51 16.417 -16.623 2.682 1.00 0.00 O ATOM 694 CB LYS A 51 18.941 -15.304 3.943 1.00 0.00 C ATOM 695 CG LYS A 51 18.966 -14.249 5.036 1.00 0.00 C ATOM 696 CD LYS A 51 19.569 -14.792 6.321 1.00 0.00 C ATOM 697 CE LYS A 51 18.907 -16.096 6.739 1.00 0.00 C ATOM 698 NZ LYS A 51 19.594 -17.280 6.150 1.00 0.00 N ATOM 0 H LYS A 51 18.110 -12.937 3.438 1.00 0.00 H new ATOM 0 HA LYS A 51 18.532 -15.352 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.553 -16.235 4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.962 -15.501 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 51 19.542 -13.387 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.952 -13.899 5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.638 -14.953 6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.458 -14.055 7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.915 -16.175 7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.863 -16.090 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.924 -17.811 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.395 -16.962 5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.943 -17.894 6.913 1.00 0.00 H new ATOM 712 N ARG A 52 15.759 -14.551 3.262 1.00 0.00 N ATOM 713 CA ARG A 52 14.363 -14.929 3.451 1.00 0.00 C ATOM 714 C ARG A 52 13.898 -15.865 2.339 1.00 0.00 C ATOM 715 O ARG A 52 14.194 -15.644 1.165 1.00 0.00 O ATOM 716 CB ARG A 52 13.476 -13.683 3.489 1.00 0.00 C ATOM 717 CG ARG A 52 11.988 -13.995 3.492 1.00 0.00 C ATOM 718 CD ARG A 52 11.583 -14.760 4.742 1.00 0.00 C ATOM 719 NE ARG A 52 10.132 -14.851 4.881 1.00 0.00 N ATOM 720 CZ ARG A 52 9.358 -13.821 5.208 1.00 0.00 C ATOM 721 NH1 ARG A 52 9.894 -12.629 5.430 1.00 0.00 N ATOM 722 NH2 ARG A 52 8.045 -13.983 5.315 1.00 0.00 N ATOM 0 H ARG A 52 15.957 -13.566 3.438 1.00 0.00 H new ATOM 0 HA ARG A 52 14.280 -15.454 4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.719 -13.102 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.706 -13.057 2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.420 -13.067 3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.736 -14.580 2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.008 -15.763 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.001 -14.268 5.620 1.00 0.00 H new ATOM 0 HE ARG A 52 9.688 -15.755 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.903 -12.500 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.298 -11.840 5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.629 -14.899 5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.452 -13.192 5.566 1.00 0.00 H new ATOM 736 N ARG A 53 13.170 -16.909 2.718 1.00 0.00 N ATOM 737 CA ARG A 53 12.664 -17.879 1.754 1.00 0.00 C ATOM 738 C ARG A 53 11.398 -18.553 2.272 1.00 0.00 C ATOM 739 O ARG A 53 11.349 -19.018 3.411 1.00 0.00 O ATOM 740 CB ARG A 53 13.730 -18.935 1.455 1.00 0.00 C ATOM 741 CG ARG A 53 13.698 -19.445 0.023 1.00 0.00 C ATOM 742 CD ARG A 53 14.476 -18.533 -0.912 1.00 0.00 C ATOM 743 NE ARG A 53 15.920 -18.709 -0.771 1.00 0.00 N ATOM 744 CZ ARG A 53 16.814 -18.019 -1.469 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.417 -17.111 -2.350 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.111 -18.235 -1.285 1.00 0.00 N ATOM 0 H ARG A 53 12.917 -17.106 3.686 1.00 0.00 H new ATOM 0 HA ARG A 53 12.420 -17.346 0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.714 -18.514 1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.596 -19.777 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.118 -20.450 -0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.664 -19.518 -0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.185 -18.736 -1.942 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.215 -17.495 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 53 16.259 -19.399 -0.100 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.422 -16.941 -2.493 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.107 -16.583 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.421 -18.931 -0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.797 -17.705 -1.822 1.00 0.00 H new ATOM 760 N THR A 54 10.372 -18.601 1.428 1.00 0.00 N ATOM 761 CA THR A 54 9.103 -19.216 1.801 1.00 0.00 C ATOM 762 C THR A 54 8.525 -20.027 0.647 1.00 0.00 C ATOM 763 O THR A 54 8.745 -19.707 -0.522 1.00 0.00 O ATOM 764 CB THR A 54 8.073 -18.157 2.236 1.00 0.00 C ATOM 765 OG1 THR A 54 6.905 -18.797 2.761 1.00 0.00 O ATOM 766 CG2 THR A 54 7.686 -17.266 1.066 1.00 0.00 C ATOM 0 H THR A 54 10.395 -18.221 0.482 1.00 0.00 H new ATOM 0 HA THR A 54 9.308 -19.880 2.641 1.00 0.00 H new ATOM 0 HB THR A 54 8.526 -17.537 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.858 -18.648 3.729 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.958 -16.526 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.573 -16.758 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.250 -17.875 0.274 1.00 0.00 H new ATOM 774 N THR A 55 7.785 -21.079 0.982 1.00 0.00 N ATOM 775 CA THR A 55 7.175 -21.937 -0.027 1.00 0.00 C ATOM 776 C THR A 55 5.757 -21.483 -0.350 1.00 0.00 C ATOM 777 O THR A 55 5.240 -21.751 -1.435 1.00 0.00 O ATOM 778 CB THR A 55 7.139 -23.406 0.433 1.00 0.00 C ATOM 779 OG1 THR A 55 6.543 -23.499 1.732 1.00 0.00 O ATOM 780 CG2 THR A 55 8.542 -23.996 0.469 1.00 0.00 C ATOM 0 H THR A 55 7.593 -21.358 1.944 1.00 0.00 H new ATOM 0 HA THR A 55 7.791 -21.859 -0.923 1.00 0.00 H new ATOM 0 HB THR A 55 6.541 -23.973 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.523 -24.437 2.016 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.492 -25.034 0.797 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.981 -23.951 -0.528 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.159 -23.426 1.164 1.00 0.00 H new ATOM 788 N ASP A 56 5.130 -20.793 0.598 1.00 0.00 N ATOM 789 CA ASP A 56 3.771 -20.300 0.413 1.00 0.00 C ATOM 790 C ASP A 56 3.764 -19.034 -0.438 1.00 0.00 C ATOM 791 O ASP A 56 4.188 -17.969 0.011 1.00 0.00 O ATOM 792 CB ASP A 56 3.117 -20.023 1.768 1.00 0.00 C ATOM 793 CG ASP A 56 1.604 -20.089 1.705 1.00 0.00 C ATOM 794 OD1 ASP A 56 1.061 -20.230 0.589 1.00 0.00 O ATOM 795 OD2 ASP A 56 0.963 -20.000 2.773 1.00 0.00 O ATOM 0 H ASP A 56 5.542 -20.563 1.502 1.00 0.00 H new ATOM 0 HA ASP A 56 3.199 -21.069 -0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.479 -20.747 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.420 -19.037 2.120 1.00 0.00 H new ATOM 800 N PHE A 57 3.278 -19.158 -1.669 1.00 0.00 N ATOM 801 CA PHE A 57 3.217 -18.024 -2.584 1.00 0.00 C ATOM 802 C PHE A 57 2.721 -16.772 -1.867 1.00 0.00 C ATOM 803 O PHE A 57 3.087 -15.653 -2.225 1.00 0.00 O ATOM 804 CB PHE A 57 2.300 -18.345 -3.767 1.00 0.00 C ATOM 805 CG PHE A 57 2.037 -17.165 -4.658 1.00 0.00 C ATOM 806 CD1 PHE A 57 2.957 -16.791 -5.624 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.870 -16.430 -4.529 1.00 0.00 C ATOM 808 CE1 PHE A 57 2.717 -15.706 -6.447 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.624 -15.344 -5.349 1.00 0.00 C ATOM 810 CZ PHE A 57 1.550 -14.981 -6.308 1.00 0.00 C ATOM 0 H PHE A 57 2.921 -20.032 -2.056 1.00 0.00 H new ATOM 0 HA PHE A 57 4.224 -17.834 -2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.748 -19.144 -4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.350 -18.723 -3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.872 -17.353 -5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.144 -16.708 -3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.441 -15.426 -7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.291 -14.780 -5.240 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.361 -14.132 -6.948 1.00 0.00 H new ATOM 820 N SER A 58 1.886 -16.970 -0.852 1.00 0.00 N ATOM 821 CA SER A 58 1.336 -15.858 -0.086 1.00 0.00 C ATOM 822 C SER A 58 2.417 -15.197 0.765 1.00 0.00 C ATOM 823 O SER A 58 2.507 -13.971 0.832 1.00 0.00 O ATOM 824 CB SER A 58 0.193 -16.343 0.808 1.00 0.00 C ATOM 825 OG SER A 58 0.429 -17.661 1.269 1.00 0.00 O ATOM 0 H SER A 58 1.576 -17.890 -0.541 1.00 0.00 H new ATOM 0 HA SER A 58 0.950 -15.120 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.083 -15.671 1.659 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.745 -16.311 0.254 1.00 0.00 H new ATOM 0 HG SER A 58 -0.315 -17.946 1.839 1.00 0.00 H new ATOM 831 N ASP A 59 3.235 -16.019 1.413 1.00 0.00 N ATOM 832 CA ASP A 59 4.311 -15.516 2.259 1.00 0.00 C ATOM 833 C ASP A 59 5.382 -14.823 1.422 1.00 0.00 C ATOM 834 O ASP A 59 5.922 -13.790 1.818 1.00 0.00 O ATOM 835 CB ASP A 59 4.934 -16.659 3.062 1.00 0.00 C ATOM 836 CG ASP A 59 4.071 -17.080 4.236 1.00 0.00 C ATOM 837 OD1 ASP A 59 4.207 -16.474 5.320 1.00 0.00 O ATOM 838 OD2 ASP A 59 3.259 -18.014 4.070 1.00 0.00 O ATOM 0 H ASP A 59 3.174 -17.036 1.369 1.00 0.00 H new ATOM 0 HA ASP A 59 3.887 -14.787 2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.093 -17.515 2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.914 -16.351 3.427 1.00 0.00 H new ATOM 843 N PHE A 60 5.686 -15.400 0.264 1.00 0.00 N ATOM 844 CA PHE A 60 6.693 -14.839 -0.628 1.00 0.00 C ATOM 845 C PHE A 60 6.405 -13.369 -0.920 1.00 0.00 C ATOM 846 O PHE A 60 7.312 -12.537 -0.935 1.00 0.00 O ATOM 847 CB PHE A 60 6.745 -15.630 -1.937 1.00 0.00 C ATOM 848 CG PHE A 60 7.203 -14.816 -3.112 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.554 -14.637 -3.362 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.285 -14.229 -3.967 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.979 -13.887 -4.443 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.703 -13.479 -5.050 1.00 0.00 C ATOM 853 CZ PHE A 60 8.052 -13.309 -5.288 1.00 0.00 C ATOM 0 H PHE A 60 5.249 -16.256 -0.078 1.00 0.00 H new ATOM 0 HA PHE A 60 7.660 -14.909 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.415 -16.481 -1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.754 -16.033 -2.148 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.283 -15.088 -2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.228 -14.359 -3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 60 10.035 -13.753 -4.626 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.976 -13.027 -5.708 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.382 -12.725 -6.134 1.00 0.00 H new ATOM 863 N LEU A 61 5.134 -13.057 -1.152 1.00 0.00 N ATOM 864 CA LEU A 61 4.724 -11.688 -1.444 1.00 0.00 C ATOM 865 C LEU A 61 4.707 -10.842 -0.175 1.00 0.00 C ATOM 866 O LEU A 61 4.768 -9.614 -0.235 1.00 0.00 O ATOM 867 CB LEU A 61 3.339 -11.678 -2.096 1.00 0.00 C ATOM 868 CG LEU A 61 3.170 -12.571 -3.326 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.703 -12.680 -3.709 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.990 -12.035 -4.491 1.00 0.00 C ATOM 0 H LEU A 61 4.370 -13.733 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 61 5.448 -11.258 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.605 -11.980 -1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.101 -10.653 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 61 3.534 -13.568 -3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.602 -13.319 -4.586 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.142 -13.111 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.312 -11.688 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.858 -12.683 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.657 -11.027 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.044 -12.011 -4.214 1.00 0.00 H new ATOM 882 N SER A 62 4.623 -11.507 0.972 1.00 0.00 N ATOM 883 CA SER A 62 4.597 -10.816 2.256 1.00 0.00 C ATOM 884 C SER A 62 6.009 -10.454 2.707 1.00 0.00 C ATOM 885 O SER A 62 6.214 -9.459 3.404 1.00 0.00 O ATOM 886 CB SER A 62 3.919 -11.689 3.315 1.00 0.00 C ATOM 887 OG SER A 62 3.283 -10.893 4.300 1.00 0.00 O ATOM 0 H SER A 62 4.572 -12.524 1.039 1.00 0.00 H new ATOM 0 HA SER A 62 4.026 -9.895 2.134 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.185 -12.340 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.659 -12.335 3.787 1.00 0.00 H new ATOM 0 HG SER A 62 2.856 -11.474 4.964 1.00 0.00 H new ATOM 893 N ILE A 63 6.978 -11.268 2.305 1.00 0.00 N ATOM 894 CA ILE A 63 8.372 -11.033 2.667 1.00 0.00 C ATOM 895 C ILE A 63 8.683 -9.541 2.714 1.00 0.00 C ATOM 896 O ILE A 63 8.867 -8.901 1.678 1.00 0.00 O ATOM 897 CB ILE A 63 9.332 -11.716 1.676 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.191 -13.237 1.760 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.768 -11.296 1.956 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.804 -13.967 0.586 1.00 0.00 C ATOM 0 H ILE A 63 6.825 -12.096 1.729 1.00 0.00 H new ATOM 0 HA ILE A 63 8.519 -11.463 3.658 1.00 0.00 H new ATOM 0 HB ILE A 63 9.071 -11.402 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.660 -13.587 2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.133 -13.493 1.824 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.435 -11.787 1.248 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.858 -10.215 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.040 -11.585 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.666 -15.041 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.319 -13.646 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.869 -13.741 0.533 1.00 0.00 H new ATOM 912 N VAL A 64 8.742 -8.993 3.923 1.00 0.00 N ATOM 913 CA VAL A 64 9.035 -7.576 4.106 1.00 0.00 C ATOM 914 C VAL A 64 10.401 -7.218 3.531 1.00 0.00 C ATOM 915 O VAL A 64 11.366 -7.965 3.685 1.00 0.00 O ATOM 916 CB VAL A 64 9.000 -7.184 5.595 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.700 -8.235 6.442 1.00 0.00 C ATOM 918 CG2 VAL A 64 9.630 -5.815 5.800 1.00 0.00 C ATOM 0 H VAL A 64 8.591 -9.508 4.790 1.00 0.00 H new ATOM 0 HA VAL A 64 8.263 -7.022 3.573 1.00 0.00 H new ATOM 0 HB VAL A 64 7.959 -7.131 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.665 -7.940 7.491 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.199 -9.195 6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.739 -8.325 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.597 -5.554 6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.667 -5.838 5.464 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.079 -5.071 5.225 1.00 0.00 H new ATOM 928 N GLY A 65 10.474 -6.069 2.865 1.00 0.00 N ATOM 929 CA GLY A 65 11.726 -5.631 2.276 1.00 0.00 C ATOM 930 C GLY A 65 12.898 -5.778 3.228 1.00 0.00 C ATOM 931 O GLY A 65 12.757 -5.570 4.433 1.00 0.00 O ATOM 0 H GLY A 65 9.688 -5.434 2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.921 -6.209 1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.636 -4.588 1.973 1.00 0.00 H new ATOM 935 N CYS A 66 14.056 -6.139 2.686 1.00 0.00 N ATOM 936 CA CYS A 66 15.257 -6.316 3.495 1.00 0.00 C ATOM 937 C CYS A 66 16.147 -5.080 3.423 1.00 0.00 C ATOM 938 O CYS A 66 17.073 -4.920 4.219 1.00 0.00 O ATOM 939 CB CYS A 66 16.035 -7.548 3.027 1.00 0.00 C ATOM 940 SG CYS A 66 16.684 -7.417 1.330 1.00 0.00 S ATOM 0 H CYS A 66 14.189 -6.315 1.690 1.00 0.00 H new ATOM 0 HA CYS A 66 14.950 -6.461 4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.867 -7.721 3.710 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.385 -8.421 3.090 1.00 0.00 H new ATOM 0 HG CYS A 66 16.456 -8.526 0.691 1.00 0.00 H new ATOM 945 N THR A 67 15.862 -4.206 2.462 1.00 0.00 N ATOM 946 CA THR A 67 16.638 -2.985 2.285 1.00 0.00 C ATOM 947 C THR A 67 15.827 -1.757 2.684 1.00 0.00 C ATOM 948 O THR A 67 14.606 -1.824 2.824 1.00 0.00 O ATOM 949 CB THR A 67 17.108 -2.825 0.826 1.00 0.00 C ATOM 950 OG1 THR A 67 17.904 -3.950 0.442 1.00 0.00 O ATOM 951 CG2 THR A 67 17.911 -1.545 0.655 1.00 0.00 C ATOM 0 H THR A 67 15.099 -4.321 1.795 1.00 0.00 H new ATOM 0 HA THR A 67 17.511 -3.067 2.933 1.00 0.00 H new ATOM 0 HB THR A 67 16.227 -2.770 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.853 -3.712 0.495 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.232 -1.453 -0.382 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.291 -0.688 0.920 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.786 -1.575 1.305 1.00 0.00 H new ATOM 959 N LYS A 68 16.514 -0.634 2.865 1.00 0.00 N ATOM 960 CA LYS A 68 15.859 0.612 3.246 1.00 0.00 C ATOM 961 C LYS A 68 16.221 1.734 2.278 1.00 0.00 C ATOM 962 O LYS A 68 17.348 1.811 1.794 1.00 0.00 O ATOM 963 CB LYS A 68 16.257 1.005 4.671 1.00 0.00 C ATOM 964 CG LYS A 68 15.420 0.328 5.744 1.00 0.00 C ATOM 965 CD LYS A 68 14.203 1.161 6.110 1.00 0.00 C ATOM 966 CE LYS A 68 13.441 0.551 7.277 1.00 0.00 C ATOM 967 NZ LYS A 68 14.316 0.351 8.466 1.00 0.00 N ATOM 0 H LYS A 68 17.525 -0.561 2.754 1.00 0.00 H new ATOM 0 HA LYS A 68 14.781 0.455 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.306 0.755 4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.167 2.086 4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.099 -0.652 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.030 0.163 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.517 2.172 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.543 1.243 5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.607 1.199 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.016 -0.406 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.727 0.196 9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.926 -0.477 8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.907 1.195 8.608 1.00 0.00 H new ATOM 981 N GLY A 69 15.253 2.604 2.002 1.00 0.00 N ATOM 982 CA GLY A 69 15.490 3.712 1.094 1.00 0.00 C ATOM 983 C GLY A 69 14.285 4.622 0.964 1.00 0.00 C ATOM 984 O GLY A 69 13.472 4.722 1.883 1.00 0.00 O ATOM 0 H GLY A 69 14.311 2.561 2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.343 4.292 1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.755 3.322 0.111 1.00 0.00 H new ATOM 988 N ARG A 70 14.170 5.288 -0.180 1.00 0.00 N ATOM 989 CA ARG A 70 13.056 6.197 -0.427 1.00 0.00 C ATOM 990 C ARG A 70 12.090 5.607 -1.449 1.00 0.00 C ATOM 991 O ARG A 70 12.497 5.173 -2.527 1.00 0.00 O ATOM 992 CB ARG A 70 13.573 7.549 -0.920 1.00 0.00 C ATOM 993 CG ARG A 70 14.809 8.036 -0.179 1.00 0.00 C ATOM 994 CD ARG A 70 15.075 9.509 -0.448 1.00 0.00 C ATOM 995 NE ARG A 70 16.472 9.865 -0.208 1.00 0.00 N ATOM 996 CZ ARG A 70 17.469 9.504 -1.007 1.00 0.00 C ATOM 997 NH1 ARG A 70 17.226 8.781 -2.091 1.00 0.00 N ATOM 998 NH2 ARG A 70 18.714 9.867 -0.721 1.00 0.00 N ATOM 0 H ARG A 70 14.834 5.216 -0.951 1.00 0.00 H new ATOM 0 HA ARG A 70 12.522 6.341 0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.803 7.475 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.781 8.291 -0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.679 7.878 0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.674 7.447 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.813 9.742 -1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.431 10.116 0.189 1.00 0.00 H new ATOM 0 HE ARG A 70 16.693 10.421 0.618 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.271 8.500 -2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.994 8.505 -2.703 1.00 0.00 H new ATOM 0 HH21 ARG A 70 18.904 10.423 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 70 19.480 9.590 -1.335 1.00 0.00 H new ATOM 1012 N HIS A 71 10.806 5.594 -1.103 1.00 0.00 N ATOM 1013 CA HIS A 71 9.781 5.057 -1.990 1.00 0.00 C ATOM 1014 C HIS A 71 9.964 5.581 -3.411 1.00 0.00 C ATOM 1015 O HIS A 71 10.111 6.783 -3.626 1.00 0.00 O ATOM 1016 CB HIS A 71 8.387 5.423 -1.475 1.00 0.00 C ATOM 1017 CG HIS A 71 8.083 4.861 -0.120 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.327 3.723 0.070 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.439 5.285 1.115 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.231 3.473 1.363 1.00 0.00 C ATOM 1021 NE2 HIS A 71 7.896 4.406 2.019 1.00 0.00 N ATOM 0 H HIS A 71 10.451 5.949 -0.215 1.00 0.00 H new ATOM 0 HA HIS A 71 9.881 3.972 -2.005 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.296 6.509 -1.438 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.641 5.064 -2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.039 6.153 1.346 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.699 2.646 1.808 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.991 4.464 3.033 1.00 0.00 H new ATOM 1029 N ASN A 72 9.953 4.669 -4.379 1.00 0.00 N ATOM 1030 CA ASN A 72 10.119 5.039 -5.779 1.00 0.00 C ATOM 1031 C ASN A 72 8.783 5.429 -6.402 1.00 0.00 C ATOM 1032 O ASN A 72 7.995 4.569 -6.795 1.00 0.00 O ATOM 1033 CB ASN A 72 10.741 3.882 -6.564 1.00 0.00 C ATOM 1034 CG ASN A 72 12.243 3.795 -6.371 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.785 4.301 -5.388 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.924 3.150 -7.312 1.00 0.00 N ATOM 0 H ASN A 72 9.831 3.669 -4.219 1.00 0.00 H new ATOM 0 HA ASN A 72 10.786 5.900 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.282 2.945 -6.250 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.520 4.005 -7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.937 3.059 -7.236 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.434 2.746 -8.110 1.00 0.00 H new ATOM 1043 N SER A 73 8.533 6.732 -6.488 1.00 0.00 N ATOM 1044 CA SER A 73 7.290 7.237 -7.059 1.00 0.00 C ATOM 1045 C SER A 73 7.290 7.085 -8.577 1.00 0.00 C ATOM 1046 O SER A 73 6.345 7.495 -9.251 1.00 0.00 O ATOM 1047 CB SER A 73 7.090 8.706 -6.682 1.00 0.00 C ATOM 1048 OG SER A 73 6.278 9.371 -7.633 1.00 0.00 O ATOM 0 H SER A 73 9.175 7.457 -6.169 1.00 0.00 H new ATOM 0 HA SER A 73 6.467 6.650 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.629 8.772 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.058 9.203 -6.615 1.00 0.00 H new ATOM 0 HG SER A 73 5.720 8.716 -8.102 1.00 0.00 H new ATOM 1054 N GLU A 74 8.356 6.494 -9.107 1.00 0.00 N ATOM 1055 CA GLU A 74 8.477 6.289 -10.546 1.00 0.00 C ATOM 1056 C GLU A 74 9.080 4.920 -10.851 1.00 0.00 C ATOM 1057 O GLU A 74 10.192 4.609 -10.423 1.00 0.00 O ATOM 1058 CB GLU A 74 9.340 7.388 -11.169 1.00 0.00 C ATOM 1059 CG GLU A 74 8.736 8.778 -11.046 1.00 0.00 C ATOM 1060 CD GLU A 74 9.635 9.856 -11.620 1.00 0.00 C ATOM 1061 OE1 GLU A 74 10.802 9.547 -11.941 1.00 0.00 O ATOM 1062 OE2 GLU A 74 9.172 11.009 -11.747 1.00 0.00 O ATOM 0 H GLU A 74 9.147 6.149 -8.563 1.00 0.00 H new ATOM 0 HA GLU A 74 7.478 6.332 -10.979 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.320 7.383 -10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.497 7.161 -12.223 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.775 8.800 -11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.541 8.994 -9.996 1.00 0.00 H new ATOM 1069 N LYS A 75 8.339 4.106 -11.593 1.00 0.00 N ATOM 1070 CA LYS A 75 8.799 2.770 -11.957 1.00 0.00 C ATOM 1071 C LYS A 75 10.309 2.753 -12.167 1.00 0.00 C ATOM 1072 O LYS A 75 10.764 2.986 -13.286 1.00 0.00 O ATOM 1073 CB LYS A 75 8.090 2.294 -13.228 1.00 0.00 C ATOM 1074 CG LYS A 75 6.620 2.667 -13.281 1.00 0.00 C ATOM 1075 CD LYS A 75 6.408 4.013 -13.954 1.00 0.00 C ATOM 1076 CE LYS A 75 5.186 4.728 -13.399 1.00 0.00 C ATOM 1077 NZ LYS A 75 5.528 5.584 -12.229 1.00 0.00 N ATOM 0 H LYS A 75 7.416 4.347 -11.955 1.00 0.00 H new ATOM 0 HA LYS A 75 8.557 2.093 -11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.595 2.718 -14.096 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.184 1.211 -13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.068 1.898 -13.822 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.215 2.698 -12.269 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.291 4.636 -13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.290 3.869 -15.028 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.739 5.343 -14.180 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.437 3.992 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.890 6.404 -12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.423 5.033 -11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.511 5.913 -12.315 1.00 0.00 H new