USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 410 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 38 CYS SG : rot 146:sc= 0.174 USER MOD Set 1.2: A 41 CYS SG : rot -48:sc= 0.641 USER MOD Set 1.3: A 59 CYS SG : rot -126:sc= -3.85! USER MOD Set 1.4: A 62 CYS SG : rot 85:sc= 0.177 USER MOD Set 2.1: A 11 CYS SG : rot 144:sc= 0.277 USER MOD Set 2.2: A 14 CYS SG : rot -50:sc= 0.0872 USER MOD Set 2.3: A 32 HIS : no HE2:sc= -3.57! C(o=-3.6!,f=-13!) USER MOD Set 2.4: A 35 CYS SG : rot -120:sc= -0.385 USER MOD Single : A 16 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.088) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= -3.18! (180deg=-6.11!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00612 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -50:sc= 0.00321 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= -0.269 (180deg=-1.13) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.000684 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.406 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -160:sc= -2.33! (180deg=-3.62!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.0167 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N GLY A 10 -14.625 -4.096 -10.595 1.00 0.00 N ATOM 123 CA GLY A 10 -13.601 -4.816 -11.346 1.00 0.00 C ATOM 124 C GLY A 10 -12.232 -4.176 -11.134 1.00 0.00 C ATOM 125 O GLY A 10 -12.094 -3.216 -10.377 1.00 0.00 O ATOM 0 HA2 GLY A 10 -13.575 -5.858 -11.028 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.850 -4.812 -12.407 1.00 0.00 H new ATOM 129 N CYS A 11 -11.202 -4.820 -11.680 1.00 0.00 N ATOM 130 CA CYS A 11 -9.834 -4.631 -11.196 1.00 0.00 C ATOM 131 C CYS A 11 -8.933 -4.196 -12.371 1.00 0.00 C ATOM 132 O CYS A 11 -8.478 -5.032 -13.172 1.00 0.00 O ATOM 133 CB CYS A 11 -9.308 -5.914 -10.559 1.00 0.00 C ATOM 134 SG CYS A 11 -7.801 -5.707 -9.581 1.00 0.00 S ATOM 0 H CYS A 11 -11.287 -5.476 -12.456 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.827 -3.853 -10.433 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -10.086 -6.332 -9.920 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.117 -6.643 -11.346 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.843 -6.495 -8.548 1.00 0.00 H new ATOM 139 N PRO A 12 -8.450 -2.939 -12.277 1.00 0.00 N ATOM 140 CA PRO A 12 -7.425 -2.403 -13.206 1.00 0.00 C ATOM 141 C PRO A 12 -6.088 -3.132 -13.130 1.00 0.00 C ATOM 142 O PRO A 12 -5.235 -2.982 -14.002 1.00 0.00 O ATOM 143 CB PRO A 12 -7.307 -0.912 -12.909 1.00 0.00 C ATOM 144 CG PRO A 12 -8.086 -0.610 -11.663 1.00 0.00 C ATOM 145 CD PRO A 12 -8.970 -1.828 -11.425 1.00 0.00 C ATOM 0 HA PRO A 12 -7.737 -2.567 -14.237 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.261 -0.634 -12.778 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.690 -0.328 -13.746 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -7.420 -0.438 -10.817 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.686 0.292 -11.785 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.954 -2.113 -10.373 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.006 -1.604 -11.679 1.00 0.00 H new ATOM 153 N ARG A 13 -5.984 -4.032 -12.155 1.00 0.00 N ATOM 154 CA ARG A 13 -4.729 -4.715 -11.878 1.00 0.00 C ATOM 155 C ARG A 13 -4.654 -6.026 -12.655 1.00 0.00 C ATOM 156 O ARG A 13 -3.760 -6.221 -13.478 1.00 0.00 O ATOM 157 CB ARG A 13 -4.547 -4.988 -10.380 1.00 0.00 C ATOM 158 CG ARG A 13 -3.102 -5.196 -9.945 1.00 0.00 C ATOM 159 CD ARG A 13 -2.236 -4.051 -10.347 1.00 0.00 C ATOM 160 NE ARG A 13 -1.753 -4.180 -11.714 1.00 0.00 N ATOM 161 CZ ARG A 13 -0.858 -5.096 -12.089 1.00 0.00 C ATOM 162 NH1 ARG A 13 -0.190 -5.821 -11.197 1.00 0.00 N ATOM 163 NH2 ARG A 13 -0.585 -5.247 -13.386 1.00 0.00 N ATOM 0 H ARG A 13 -6.755 -4.303 -11.545 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.923 -4.056 -12.200 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.965 -4.153 -9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.124 -5.873 -10.112 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.062 -5.321 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.718 -6.116 -10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.797 -3.121 -10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.386 -3.985 -9.668 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.116 -3.539 -12.420 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.357 -5.683 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.489 -6.515 -11.509 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.058 -4.666 -14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.097 -5.944 -13.686 1.00 0.00 H new ATOM 177 N CYS A 14 -5.480 -6.979 -12.233 1.00 0.00 N ATOM 178 CA CYS A 14 -5.403 -8.342 -12.734 1.00 0.00 C ATOM 179 C CYS A 14 -6.314 -8.522 -13.945 1.00 0.00 C ATOM 180 O CYS A 14 -6.164 -9.473 -14.709 1.00 0.00 O ATOM 181 CB CYS A 14 -5.699 -9.362 -11.639 1.00 0.00 C ATOM 182 SG CYS A 14 -7.291 -9.157 -10.809 1.00 0.00 S ATOM 0 H CYS A 14 -6.214 -6.828 -11.541 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.379 -8.525 -13.060 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.660 -10.361 -12.074 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.908 -9.309 -10.891 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.430 -7.919 -10.437 1.00 0.00 H new ATOM 187 N GLY A 15 -7.397 -7.746 -13.952 1.00 0.00 N ATOM 188 CA GLY A 15 -8.371 -7.804 -15.031 1.00 0.00 C ATOM 189 C GLY A 15 -9.505 -8.762 -14.675 1.00 0.00 C ATOM 190 O GLY A 15 -10.032 -9.461 -15.540 1.00 0.00 O ATOM 0 H GLY A 15 -7.618 -7.071 -13.220 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.773 -6.809 -15.220 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.885 -8.131 -15.950 1.00 0.00 H new ATOM 194 N GLN A 16 -10.028 -8.587 -13.463 1.00 0.00 N ATOM 195 CA GLN A 16 -11.162 -9.368 -12.996 1.00 0.00 C ATOM 196 C GLN A 16 -12.306 -8.447 -12.576 1.00 0.00 C ATOM 197 O GLN A 16 -12.076 -7.326 -12.127 1.00 0.00 O ATOM 198 CB GLN A 16 -10.793 -10.333 -11.867 1.00 0.00 C ATOM 199 CG GLN A 16 -11.061 -11.789 -12.196 1.00 0.00 C ATOM 200 CD GLN A 16 -10.887 -12.706 -11.011 1.00 0.00 C ATOM 201 OE1 GLN A 16 -11.443 -12.495 -9.936 1.00 0.00 O ATOM 202 NE2 GLN A 16 -10.145 -13.789 -11.238 1.00 0.00 N ATOM 0 H GLN A 16 -9.680 -7.907 -12.787 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.491 -9.984 -13.833 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.736 -10.212 -11.629 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.354 -10.063 -10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.077 -11.888 -12.578 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.389 -12.105 -12.994 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.702 -13.922 -12.147 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.020 -14.485 -10.503 1.00 0.00 H new ATOM 211 N ALA A 17 -13.513 -9.000 -12.582 1.00 0.00 N ATOM 212 CA ALA A 17 -14.667 -8.340 -11.985 1.00 0.00 C ATOM 213 C ALA A 17 -15.159 -9.132 -10.774 1.00 0.00 C ATOM 214 O ALA A 17 -15.064 -10.358 -10.747 1.00 0.00 O ATOM 215 CB ALA A 17 -15.776 -8.175 -13.016 1.00 0.00 C ATOM 0 H ALA A 17 -13.718 -9.909 -12.996 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.370 -7.347 -11.647 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.631 -7.681 -12.555 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.413 -7.571 -13.848 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.079 -9.155 -13.384 1.00 0.00 H new ATOM 221 N VAL A 18 -15.496 -8.403 -9.714 1.00 0.00 N ATOM 222 CA VAL A 18 -15.650 -8.993 -8.390 1.00 0.00 C ATOM 223 C VAL A 18 -17.115 -8.917 -7.954 1.00 0.00 C ATOM 224 O VAL A 18 -17.798 -7.929 -8.212 1.00 0.00 O ATOM 225 CB VAL A 18 -14.684 -8.357 -7.376 1.00 0.00 C ATOM 226 CG1 VAL A 18 -14.507 -9.213 -6.124 1.00 0.00 C ATOM 227 CG2 VAL A 18 -13.334 -8.026 -7.992 1.00 0.00 C ATOM 0 H VAL A 18 -15.668 -7.398 -9.748 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.378 -10.048 -8.434 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.150 -7.419 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.816 -8.720 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.471 -9.344 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -14.107 -10.188 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.689 -7.579 -7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.873 -8.939 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.471 -7.322 -8.813 1.00 0.00 H new ATOM 237 N TYR A 19 -17.605 -10.031 -7.425 1.00 0.00 N ATOM 238 CA TYR A 19 -19.031 -10.216 -7.200 1.00 0.00 C ATOM 239 C TYR A 19 -19.400 -9.818 -5.774 1.00 0.00 C ATOM 240 O TYR A 19 -19.935 -8.735 -5.543 1.00 0.00 O ATOM 241 CB TYR A 19 -19.455 -11.671 -7.490 1.00 0.00 C ATOM 242 CG TYR A 19 -20.947 -11.905 -7.433 1.00 0.00 C ATOM 243 CD1 TYR A 19 -21.812 -11.147 -8.223 1.00 0.00 C ATOM 244 CD2 TYR A 19 -21.508 -12.823 -6.541 1.00 0.00 C ATOM 245 CE1 TYR A 19 -23.192 -11.295 -8.135 1.00 0.00 C ATOM 246 CE2 TYR A 19 -22.887 -12.992 -6.447 1.00 0.00 C ATOM 247 CZ TYR A 19 -23.727 -12.211 -7.239 1.00 0.00 C ATOM 248 OH TYR A 19 -25.089 -12.291 -7.141 1.00 0.00 O ATOM 0 H TYR A 19 -17.030 -10.825 -7.142 1.00 0.00 H new ATOM 0 HA TYR A 19 -19.571 -9.569 -7.891 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -19.092 -11.953 -8.478 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.968 -12.330 -6.771 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.401 -10.430 -8.918 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.859 -13.413 -5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -23.843 -10.701 -8.759 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -23.302 -13.721 -5.767 1.00 0.00 H new ATOM 0 HH TYR A 19 -25.330 -12.972 -6.479 1.00 0.00 H new ATOM 258 N ALA A 20 -18.944 -10.625 -4.821 1.00 0.00 N ATOM 259 CA ALA A 20 -18.969 -10.250 -3.413 1.00 0.00 C ATOM 260 C ALA A 20 -18.133 -8.994 -3.182 1.00 0.00 C ATOM 261 O ALA A 20 -18.346 -8.268 -2.212 1.00 0.00 O ATOM 262 CB ALA A 20 -18.473 -11.406 -2.551 1.00 0.00 C ATOM 0 H ALA A 20 -18.550 -11.549 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 20 -19.996 -10.028 -3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -18.496 -11.113 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.116 -12.273 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -17.451 -11.659 -2.834 1.00 0.00 H new ATOM 268 N ALA A 21 -17.387 -8.618 -4.220 1.00 0.00 N ATOM 269 CA ALA A 21 -16.517 -7.452 -4.150 1.00 0.00 C ATOM 270 C ALA A 21 -15.455 -7.647 -3.072 1.00 0.00 C ATOM 271 O ALA A 21 -15.773 -7.870 -1.905 1.00 0.00 O ATOM 272 CB ALA A 21 -17.338 -6.191 -3.892 1.00 0.00 C ATOM 0 H ALA A 21 -17.370 -9.105 -5.116 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.009 -7.334 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -16.674 -5.328 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -18.054 -6.051 -4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -17.873 -6.292 -2.948 1.00 0.00 H new ATOM 278 N GLU A 22 -14.211 -7.792 -3.527 1.00 0.00 N ATOM 279 CA GLU A 22 -13.075 -7.819 -2.604 1.00 0.00 C ATOM 280 C GLU A 22 -12.192 -6.594 -2.844 1.00 0.00 C ATOM 281 O GLU A 22 -10.967 -6.671 -2.778 1.00 0.00 O ATOM 282 CB GLU A 22 -12.321 -9.119 -2.836 1.00 0.00 C ATOM 283 CG GLU A 22 -11.114 -9.346 -1.964 1.00 0.00 C ATOM 284 CD GLU A 22 -10.786 -10.762 -1.581 1.00 0.00 C ATOM 285 OE1 GLU A 22 -10.435 -11.444 -2.567 1.00 0.00 O ATOM 286 OE2 GLU A 22 -10.705 -11.153 -0.429 1.00 0.00 O ATOM 0 H GLU A 22 -13.965 -7.891 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.404 -7.780 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.013 -9.948 -2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.003 -9.151 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.247 -8.927 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.250 -8.773 -1.047 1.00 0.00 H new ATOM 293 N LYS A 23 -12.829 -5.500 -3.254 1.00 0.00 N ATOM 294 CA LYS A 23 -12.132 -4.410 -3.922 1.00 0.00 C ATOM 295 C LYS A 23 -11.992 -3.209 -2.972 1.00 0.00 C ATOM 296 O LYS A 23 -12.068 -3.384 -1.753 1.00 0.00 O ATOM 297 CB LYS A 23 -12.848 -3.951 -5.186 1.00 0.00 C ATOM 298 CG LYS A 23 -12.281 -4.536 -6.481 1.00 0.00 C ATOM 299 CD LYS A 23 -12.976 -4.012 -7.724 1.00 0.00 C ATOM 300 CE LYS A 23 -13.038 -2.546 -7.828 1.00 0.00 C ATOM 301 NZ LYS A 23 -13.993 -1.969 -6.848 1.00 0.00 N ATOM 0 H LYS A 23 -13.830 -5.347 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.151 -4.792 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.901 -4.221 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.800 -2.863 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.217 -4.305 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.371 -5.622 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.461 -4.402 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -13.992 -4.407 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.046 -2.126 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.337 -2.264 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.594 -1.265 -7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.590 -2.726 -6.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.465 -1.512 -6.077 1.00 0.00 H new ATOM 315 N VAL A 24 -11.458 -2.114 -3.510 1.00 0.00 N ATOM 316 CA VAL A 24 -10.637 -1.188 -2.701 1.00 0.00 C ATOM 317 C VAL A 24 -10.388 0.090 -3.479 1.00 0.00 C ATOM 318 O VAL A 24 -10.437 0.104 -4.711 1.00 0.00 O ATOM 319 CB VAL A 24 -9.390 -1.930 -2.206 1.00 0.00 C ATOM 320 CG1 VAL A 24 -8.257 -1.985 -3.222 1.00 0.00 C ATOM 321 CG2 VAL A 24 -8.899 -1.400 -0.869 1.00 0.00 C ATOM 0 H VAL A 24 -11.571 -1.841 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.154 -0.860 -1.799 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.718 -2.960 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.412 -2.526 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -8.599 -2.497 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.947 -0.971 -3.477 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.014 -1.957 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.648 -0.344 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.682 -1.519 -0.121 1.00 0.00 H new ATOM 331 N ILE A 25 -10.007 1.143 -2.760 1.00 0.00 N ATOM 332 CA ILE A 25 -9.905 2.473 -3.348 1.00 0.00 C ATOM 333 C ILE A 25 -8.687 3.208 -2.796 1.00 0.00 C ATOM 334 O ILE A 25 -8.426 3.180 -1.595 1.00 0.00 O ATOM 335 CB ILE A 25 -11.236 3.279 -3.106 1.00 0.00 C ATOM 336 CG1 ILE A 25 -11.290 4.476 -4.091 1.00 0.00 C ATOM 337 CG2 ILE A 25 -11.406 3.725 -1.638 1.00 0.00 C ATOM 338 CD1 ILE A 25 -12.597 4.568 -4.914 1.00 0.00 C ATOM 0 H ILE A 25 -9.764 1.100 -1.770 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.768 2.378 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 25 -12.080 2.618 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.164 5.400 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.447 4.404 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.340 4.276 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.426 2.848 -0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.572 4.367 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.550 5.433 -5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.717 3.662 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.446 4.674 -4.238 1.00 0.00 H new ATOM 350 N GLY A 26 -8.064 4.004 -3.660 1.00 0.00 N ATOM 351 CA GLY A 26 -7.066 4.976 -3.234 1.00 0.00 C ATOM 352 C GLY A 26 -6.814 5.998 -4.337 1.00 0.00 C ATOM 353 O GLY A 26 -6.477 5.639 -5.465 1.00 0.00 O ATOM 0 H GLY A 26 -8.235 3.993 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.405 5.483 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.136 4.466 -2.983 1.00 0.00 H new ATOM 357 N ALA A 27 -6.754 7.264 -3.929 1.00 0.00 N ATOM 358 CA ALA A 27 -6.527 8.358 -4.861 1.00 0.00 C ATOM 359 C ALA A 27 -7.657 8.425 -5.886 1.00 0.00 C ATOM 360 O ALA A 27 -8.486 9.333 -5.848 1.00 0.00 O ATOM 361 CB ALA A 27 -5.174 8.199 -5.548 1.00 0.00 C ATOM 0 H ALA A 27 -6.860 7.554 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.516 9.296 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.019 9.025 -6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.383 8.202 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.152 7.257 -6.095 1.00 0.00 H new ATOM 367 N GLY A 28 -7.542 7.585 -6.909 1.00 0.00 N ATOM 368 CA GLY A 28 -8.454 7.614 -8.041 1.00 0.00 C ATOM 369 C GLY A 28 -8.566 6.228 -8.672 1.00 0.00 C ATOM 370 O GLY A 28 -8.869 6.101 -9.856 1.00 0.00 O ATOM 0 H GLY A 28 -6.818 6.870 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -9.438 7.952 -7.715 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.100 8.330 -8.783 1.00 0.00 H new ATOM 374 N LYS A 29 -8.135 5.224 -7.915 1.00 0.00 N ATOM 375 CA LYS A 29 -7.948 3.882 -8.446 1.00 0.00 C ATOM 376 C LYS A 29 -8.794 2.880 -7.667 1.00 0.00 C ATOM 377 O LYS A 29 -8.812 2.892 -6.438 1.00 0.00 O ATOM 378 CB LYS A 29 -6.482 3.447 -8.387 1.00 0.00 C ATOM 379 CG LYS A 29 -5.698 3.733 -9.668 1.00 0.00 C ATOM 380 CD LYS A 29 -5.503 5.215 -9.928 1.00 0.00 C ATOM 381 CE LYS A 29 -5.499 5.598 -11.349 1.00 0.00 C ATOM 382 NZ LYS A 29 -4.672 6.811 -11.582 1.00 0.00 N ATOM 0 H LYS A 29 -7.908 5.318 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.262 3.904 -9.490 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.996 3.955 -7.554 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.439 2.378 -8.177 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.723 3.250 -9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.221 3.287 -10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.295 5.766 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.560 5.527 -9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.114 4.773 -11.949 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.521 5.783 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.690 7.054 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.055 7.604 -11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.692 6.625 -11.288 1.00 0.00 H new ATOM 396 N SER A 30 -9.374 1.934 -8.398 1.00 0.00 N ATOM 397 CA SER A 30 -10.009 0.771 -7.791 1.00 0.00 C ATOM 398 C SER A 30 -9.127 -0.464 -7.962 1.00 0.00 C ATOM 399 O SER A 30 -8.290 -0.515 -8.864 1.00 0.00 O ATOM 400 CB SER A 30 -11.403 0.535 -8.357 1.00 0.00 C ATOM 401 OG SER A 30 -11.551 1.123 -9.637 1.00 0.00 O ATOM 0 H SER A 30 -9.417 1.951 -9.417 1.00 0.00 H new ATOM 0 HA SER A 30 -10.125 0.967 -6.725 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.593 -0.536 -8.424 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.148 0.949 -7.677 1.00 0.00 H new ATOM 0 HG SER A 30 -12.456 0.952 -9.973 1.00 0.00 H new ATOM 407 N TRP A 31 -9.164 -1.330 -6.955 1.00 0.00 N ATOM 408 CA TRP A 31 -8.245 -2.449 -6.859 1.00 0.00 C ATOM 409 C TRP A 31 -8.931 -3.620 -6.129 1.00 0.00 C ATOM 410 O TRP A 31 -9.723 -3.376 -5.215 1.00 0.00 O ATOM 411 CB TRP A 31 -6.921 -2.080 -6.211 1.00 0.00 C ATOM 412 CG TRP A 31 -6.569 -0.630 -6.185 1.00 0.00 C ATOM 413 CD1 TRP A 31 -7.358 0.393 -5.696 1.00 0.00 C ATOM 414 CD2 TRP A 31 -5.237 -0.085 -6.246 1.00 0.00 C ATOM 415 NE1 TRP A 31 -6.658 1.578 -5.748 1.00 0.00 N ATOM 416 CE2 TRP A 31 -5.349 1.306 -6.030 1.00 0.00 C ATOM 417 CE3 TRP A 31 -3.988 -0.640 -6.504 1.00 0.00 C ATOM 418 CZ2 TRP A 31 -4.257 2.158 -6.118 1.00 0.00 C ATOM 419 CZ3 TRP A 31 -2.899 0.203 -6.568 1.00 0.00 C ATOM 420 CH2 TRP A 31 -3.028 1.578 -6.387 1.00 0.00 C ATOM 0 H TRP A 31 -9.832 -1.273 -6.186 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.993 -2.758 -7.873 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.931 -2.446 -5.184 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.126 -2.614 -6.732 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -8.368 0.281 -5.330 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.052 2.507 -5.600 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -3.874 -1.704 -6.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -4.361 3.225 -5.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.922 -0.213 -6.763 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.152 2.205 -6.458 1.00 0.00 H new ATOM 431 N HIS A 32 -8.328 -4.795 -6.271 1.00 0.00 N ATOM 432 CA HIS A 32 -8.531 -5.891 -5.328 1.00 0.00 C ATOM 433 C HIS A 32 -7.779 -5.599 -4.026 1.00 0.00 C ATOM 434 O HIS A 32 -6.586 -5.295 -4.053 1.00 0.00 O ATOM 435 CB HIS A 32 -8.073 -7.267 -5.868 1.00 0.00 C ATOM 436 CG HIS A 32 -9.072 -7.879 -6.813 1.00 0.00 C ATOM 437 ND1 HIS A 32 -8.748 -8.308 -8.080 1.00 0.00 N ATOM 438 CD2 HIS A 32 -10.285 -8.422 -6.536 1.00 0.00 C ATOM 439 CE1 HIS A 32 -9.797 -8.931 -8.599 1.00 0.00 C ATOM 440 NE2 HIS A 32 -10.718 -9.058 -7.669 1.00 0.00 N ATOM 0 H HIS A 32 -7.690 -5.015 -7.036 1.00 0.00 H new ATOM 0 HA HIS A 32 -9.606 -5.952 -5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -7.117 -7.153 -6.379 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.908 -7.945 -5.031 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -7.850 -8.170 -8.543 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.812 -8.363 -5.595 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.881 -9.277 -9.618 1.00 0.00 H new ATOM 448 N LYS A 33 -8.394 -6.025 -2.925 1.00 0.00 N ATOM 449 CA LYS A 33 -7.741 -6.031 -1.627 1.00 0.00 C ATOM 450 C LYS A 33 -6.497 -6.919 -1.658 1.00 0.00 C ATOM 451 O LYS A 33 -5.479 -6.587 -1.050 1.00 0.00 O ATOM 452 CB LYS A 33 -8.673 -6.528 -0.519 1.00 0.00 C ATOM 453 CG LYS A 33 -9.837 -5.583 -0.219 1.00 0.00 C ATOM 454 CD LYS A 33 -10.100 -5.415 1.267 1.00 0.00 C ATOM 455 CE LYS A 33 -11.464 -5.762 1.697 1.00 0.00 C ATOM 456 NZ LYS A 33 -12.398 -4.622 1.513 1.00 0.00 N ATOM 0 H LYS A 33 -9.353 -6.373 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.461 -5.000 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.072 -7.502 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.093 -6.675 0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.627 -4.607 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.738 -5.962 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.392 -6.033 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.900 -4.379 1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.819 -6.621 1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.452 -6.058 2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.350 -4.900 1.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.071 -3.811 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.427 -4.356 0.508 1.00 0.00 H new ATOM 470 N SER A 34 -6.489 -7.832 -2.631 1.00 0.00 N ATOM 471 CA SER A 34 -5.373 -8.749 -2.804 1.00 0.00 C ATOM 472 C SER A 34 -4.611 -8.428 -4.087 1.00 0.00 C ATOM 473 O SER A 34 -3.757 -9.201 -4.520 1.00 0.00 O ATOM 474 CB SER A 34 -5.834 -10.201 -2.786 1.00 0.00 C ATOM 475 OG SER A 34 -4.800 -11.068 -2.353 1.00 0.00 O ATOM 0 H SER A 34 -7.243 -7.952 -3.307 1.00 0.00 H new ATOM 0 HA SER A 34 -4.695 -8.615 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.696 -10.302 -2.126 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.161 -10.493 -3.784 1.00 0.00 H new ATOM 0 HG SER A 34 -3.983 -10.883 -2.862 1.00 0.00 H new ATOM 481 N CYS A 35 -4.824 -7.218 -4.592 1.00 0.00 N ATOM 482 CA CYS A 35 -3.968 -6.653 -5.629 1.00 0.00 C ATOM 483 C CYS A 35 -3.320 -5.362 -5.133 1.00 0.00 C ATOM 484 O CYS A 35 -2.986 -4.485 -5.929 1.00 0.00 O ATOM 485 CB CYS A 35 -4.748 -6.423 -6.921 1.00 0.00 C ATOM 486 SG CYS A 35 -4.977 -7.906 -7.931 1.00 0.00 S ATOM 0 H CYS A 35 -5.586 -6.607 -4.298 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.176 -7.368 -5.852 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.727 -6.013 -6.672 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.229 -5.670 -7.515 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.436 -7.724 -9.099 1.00 0.00 H new ATOM 491 N PHE A 36 -3.357 -5.176 -3.818 1.00 0.00 N ATOM 492 CA PHE A 36 -3.107 -3.872 -3.214 1.00 0.00 C ATOM 493 C PHE A 36 -1.663 -3.782 -2.730 1.00 0.00 C ATOM 494 O PHE A 36 -1.243 -4.537 -1.855 1.00 0.00 O ATOM 495 CB PHE A 36 -4.056 -3.548 -2.033 1.00 0.00 C ATOM 496 CG PHE A 36 -4.187 -2.071 -1.790 1.00 0.00 C ATOM 497 CD1 PHE A 36 -3.092 -1.215 -1.672 1.00 0.00 C ATOM 498 CD2 PHE A 36 -5.478 -1.559 -1.636 1.00 0.00 C ATOM 499 CE1 PHE A 36 -3.274 0.127 -1.320 1.00 0.00 C ATOM 500 CE2 PHE A 36 -5.683 -0.225 -1.323 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.581 0.617 -1.152 1.00 0.00 C ATOM 0 H PHE A 36 -3.559 -5.917 -3.146 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.298 -3.137 -3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.041 -3.968 -2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.684 -4.030 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.096 -1.591 -1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.328 -2.213 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.423 0.777 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.686 0.161 -1.212 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.735 1.653 -0.889 1.00 0.00 H new ATOM 511 N ARG A 37 -0.881 -2.950 -3.412 1.00 0.00 N ATOM 512 CA ARG A 37 0.572 -2.995 -3.303 1.00 0.00 C ATOM 513 C ARG A 37 1.112 -1.637 -2.853 1.00 0.00 C ATOM 514 O ARG A 37 1.190 -0.704 -3.657 1.00 0.00 O ATOM 515 CB ARG A 37 1.230 -3.399 -4.627 1.00 0.00 C ATOM 516 CG ARG A 37 2.673 -3.868 -4.502 1.00 0.00 C ATOM 517 CD ARG A 37 3.470 -3.528 -5.715 1.00 0.00 C ATOM 518 NE ARG A 37 3.219 -2.169 -6.173 1.00 0.00 N ATOM 519 CZ ARG A 37 2.481 -1.886 -7.249 1.00 0.00 C ATOM 520 NH1 ARG A 37 1.754 -2.817 -7.858 1.00 0.00 N ATOM 521 NH2 ARG A 37 2.430 -0.628 -7.689 1.00 0.00 N ATOM 0 H ARG A 37 -1.232 -2.234 -4.048 1.00 0.00 H new ATOM 0 HA ARG A 37 0.819 -3.752 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.641 -4.196 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.196 -2.549 -5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.130 -3.409 -3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.693 -4.946 -4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.531 -3.646 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.230 -4.229 -6.514 1.00 0.00 H new ATOM 0 HE ARG A 37 3.626 -1.396 -5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.751 -3.774 -7.505 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.199 -2.575 -8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.951 0.103 -7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.870 -0.397 -8.510 1.00 0.00 H new ATOM 535 N CYS A 38 1.799 -1.658 -1.714 1.00 0.00 N ATOM 536 CA CYS A 38 2.656 -0.565 -1.291 1.00 0.00 C ATOM 537 C CYS A 38 3.743 -0.294 -2.334 1.00 0.00 C ATOM 538 O CYS A 38 4.834 -0.874 -2.247 1.00 0.00 O ATOM 539 CB CYS A 38 3.275 -0.859 0.077 1.00 0.00 C ATOM 540 SG CYS A 38 3.993 0.590 0.889 1.00 0.00 S ATOM 0 H CYS A 38 1.774 -2.439 -1.059 1.00 0.00 H new ATOM 0 HA CYS A 38 2.043 0.332 -1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.510 -1.284 0.726 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.049 -1.617 -0.042 1.00 0.00 H new ATOM 0 HG CYS A 38 3.837 0.488 2.176 1.00 0.00 H new ATOM 545 N ALA A 39 3.613 0.874 -2.969 1.00 0.00 N ATOM 546 CA ALA A 39 4.618 1.354 -3.905 1.00 0.00 C ATOM 547 C ALA A 39 5.947 1.594 -3.193 1.00 0.00 C ATOM 548 O ALA A 39 6.964 1.844 -3.841 1.00 0.00 O ATOM 549 CB ALA A 39 4.133 2.623 -4.600 1.00 0.00 C ATOM 0 H ALA A 39 2.818 1.501 -2.848 1.00 0.00 H new ATOM 0 HA ALA A 39 4.778 0.589 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.896 2.970 -5.297 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.213 2.411 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.943 3.396 -3.855 1.00 0.00 H new ATOM 555 N LYS A 40 5.842 1.834 -1.885 1.00 0.00 N ATOM 556 CA LYS A 40 7.007 2.161 -1.075 1.00 0.00 C ATOM 557 C LYS A 40 7.828 0.904 -0.798 1.00 0.00 C ATOM 558 O LYS A 40 8.926 0.740 -1.329 1.00 0.00 O ATOM 559 CB LYS A 40 6.624 2.813 0.252 1.00 0.00 C ATOM 560 CG LYS A 40 7.733 3.667 0.869 1.00 0.00 C ATOM 561 CD LYS A 40 9.024 2.903 1.091 1.00 0.00 C ATOM 562 CE LYS A 40 9.987 2.976 -0.020 1.00 0.00 C ATOM 563 NZ LYS A 40 10.788 4.226 0.035 1.00 0.00 N ATOM 0 H LYS A 40 4.963 1.807 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 40 7.599 2.877 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.743 3.436 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.343 2.034 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.930 4.519 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.387 4.067 1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.503 3.283 1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.782 1.856 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.653 2.114 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.454 2.926 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.456 4.245 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.154 5.048 -0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.316 4.261 0.930 1.00 0.00 H new ATOM 577 N CYS A 41 7.356 0.113 0.163 1.00 0.00 N ATOM 578 CA CYS A 41 8.183 -0.908 0.792 1.00 0.00 C ATOM 579 C CYS A 41 8.174 -2.190 -0.027 1.00 0.00 C ATOM 580 O CYS A 41 9.027 -3.060 0.145 1.00 0.00 O ATOM 581 CB CYS A 41 7.841 -1.109 2.255 1.00 0.00 C ATOM 582 SG CYS A 41 6.216 -1.781 2.637 1.00 0.00 S ATOM 0 H CYS A 41 6.403 0.162 0.522 1.00 0.00 H new ATOM 0 HA CYS A 41 9.214 -0.554 0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.590 -1.771 2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.935 -0.147 2.759 1.00 0.00 H new ATOM 0 HG CYS A 41 5.310 -1.134 1.965 1.00 0.00 H new ATOM 587 N GLY A 42 7.294 -2.218 -1.026 1.00 0.00 N ATOM 588 CA GLY A 42 7.213 -3.339 -1.950 1.00 0.00 C ATOM 589 C GLY A 42 6.394 -4.473 -1.342 1.00 0.00 C ATOM 590 O GLY A 42 6.575 -5.639 -1.689 1.00 0.00 O ATOM 0 H GLY A 42 6.625 -1.471 -1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.758 -3.015 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.215 -3.694 -2.189 1.00 0.00 H new ATOM 594 N LYS A 43 5.656 -4.134 -0.287 1.00 0.00 N ATOM 595 CA LYS A 43 4.761 -5.088 0.353 1.00 0.00 C ATOM 596 C LYS A 43 3.385 -5.050 -0.304 1.00 0.00 C ATOM 597 O LYS A 43 2.573 -4.171 -0.022 1.00 0.00 O ATOM 598 CB LYS A 43 4.607 -4.809 1.849 1.00 0.00 C ATOM 599 CG LYS A 43 4.129 -6.015 2.659 1.00 0.00 C ATOM 600 CD LYS A 43 5.264 -6.899 3.137 1.00 0.00 C ATOM 601 CE LYS A 43 4.972 -7.682 4.349 1.00 0.00 C ATOM 602 NZ LYS A 43 4.457 -6.819 5.442 1.00 0.00 N ATOM 0 H LYS A 43 5.662 -3.208 0.140 1.00 0.00 H new ATOM 0 HA LYS A 43 5.206 -6.076 0.230 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.565 -4.474 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.901 -3.990 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.562 -5.664 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.447 -6.608 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.533 -7.586 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.136 -6.274 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.238 -8.454 4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.877 -8.191 4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.671 -7.257 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.911 -5.885 5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.428 -6.709 5.342 1.00 0.00 H new ATOM 616 N SER A 44 3.118 -6.051 -1.136 1.00 0.00 N ATOM 617 CA SER A 44 1.764 -6.314 -1.608 1.00 0.00 C ATOM 618 C SER A 44 0.911 -6.874 -0.471 1.00 0.00 C ATOM 619 O SER A 44 1.072 -8.030 -0.080 1.00 0.00 O ATOM 620 CB SER A 44 1.762 -7.250 -2.809 1.00 0.00 C ATOM 621 OG SER A 44 0.481 -7.321 -3.410 1.00 0.00 O ATOM 0 H SER A 44 3.822 -6.694 -1.498 1.00 0.00 H new ATOM 0 HA SER A 44 1.329 -5.370 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.490 -6.904 -3.542 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.074 -8.246 -2.496 1.00 0.00 H new ATOM 0 HG SER A 44 0.513 -7.928 -4.179 1.00 0.00 H new ATOM 627 N LEU A 45 0.235 -5.959 0.221 1.00 0.00 N ATOM 628 CA LEU A 45 -0.486 -6.290 1.438 1.00 0.00 C ATOM 629 C LEU A 45 -1.930 -5.792 1.359 1.00 0.00 C ATOM 630 O LEU A 45 -2.431 -5.504 0.272 1.00 0.00 O ATOM 631 CB LEU A 45 0.296 -5.735 2.634 1.00 0.00 C ATOM 632 CG LEU A 45 0.879 -4.340 2.507 1.00 0.00 C ATOM 633 CD1 LEU A 45 -0.216 -3.293 2.360 1.00 0.00 C ATOM 634 CD2 LEU A 45 1.712 -4.051 3.754 1.00 0.00 C ATOM 0 H LEU A 45 0.174 -4.977 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.560 -7.370 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.365 -5.745 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.114 -6.423 2.849 1.00 0.00 H new ATOM 0 HG LEU A 45 1.500 -4.293 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.235 -2.305 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.804 -3.505 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.864 -3.319 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.140 -3.051 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.077 -4.111 4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.514 -4.785 3.834 1.00 0.00 H new ATOM 646 N GLU A 46 -2.646 -5.958 2.467 1.00 0.00 N ATOM 647 CA GLU A 46 -4.104 -5.879 2.469 1.00 0.00 C ATOM 648 C GLU A 46 -4.622 -5.904 3.908 1.00 0.00 C ATOM 649 O GLU A 46 -5.652 -5.302 4.210 1.00 0.00 O ATOM 650 CB GLU A 46 -4.636 -7.054 1.661 1.00 0.00 C ATOM 651 CG GLU A 46 -6.128 -7.251 1.691 1.00 0.00 C ATOM 652 CD GLU A 46 -6.676 -8.307 2.610 1.00 0.00 C ATOM 653 OE1 GLU A 46 -6.320 -8.126 3.795 1.00 0.00 O ATOM 654 OE2 GLU A 46 -7.281 -9.293 2.230 1.00 0.00 O ATOM 0 H GLU A 46 -2.237 -6.149 3.382 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.447 -4.948 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.327 -6.926 0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.161 -7.965 2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.586 -6.300 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.456 -7.485 0.678 1.00 0.00 H new ATOM 661 N SER A 47 -4.058 -6.821 4.689 1.00 0.00 N ATOM 662 CA SER A 47 -4.524 -7.073 6.043 1.00 0.00 C ATOM 663 C SER A 47 -4.384 -5.813 6.897 1.00 0.00 C ATOM 664 O SER A 47 -5.380 -5.181 7.247 1.00 0.00 O ATOM 665 CB SER A 47 -3.794 -8.249 6.679 1.00 0.00 C ATOM 666 OG SER A 47 -4.497 -9.463 6.484 1.00 0.00 O ATOM 0 H SER A 47 -3.272 -7.404 4.402 1.00 0.00 H new ATOM 0 HA SER A 47 -5.579 -7.340 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.795 -8.333 6.251 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.669 -8.067 7.746 1.00 0.00 H new ATOM 0 HG SER A 47 -4.002 -10.198 6.902 1.00 0.00 H new ATOM 672 N THR A 48 -3.143 -5.357 7.041 1.00 0.00 N ATOM 673 CA THR A 48 -2.868 -4.006 7.515 1.00 0.00 C ATOM 674 C THR A 48 -3.367 -2.981 6.499 1.00 0.00 C ATOM 675 O THR A 48 -3.282 -3.206 5.292 1.00 0.00 O ATOM 676 CB THR A 48 -1.324 -3.796 7.807 1.00 0.00 C ATOM 677 OG1 THR A 48 -0.639 -3.892 6.526 1.00 0.00 O ATOM 678 CG2 THR A 48 -0.756 -4.749 8.859 1.00 0.00 C ATOM 0 H THR A 48 -2.309 -5.907 6.835 1.00 0.00 H new ATOM 0 HA THR A 48 -3.402 -3.863 8.454 1.00 0.00 H new ATOM 0 HB THR A 48 -1.167 -2.815 8.256 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.324 -3.766 6.660 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.305 -4.542 9.002 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.284 -4.607 9.802 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.883 -5.778 8.524 1.00 0.00 H new ATOM 686 N THR A 49 -4.070 -1.974 7.005 1.00 0.00 N ATOM 687 CA THR A 49 -4.859 -1.081 6.165 1.00 0.00 C ATOM 688 C THR A 49 -3.953 -0.326 5.196 1.00 0.00 C ATOM 689 O THR A 49 -2.782 -0.667 5.035 1.00 0.00 O ATOM 690 CB THR A 49 -5.716 -0.070 7.033 1.00 0.00 C ATOM 691 OG1 THR A 49 -6.712 0.495 6.122 1.00 0.00 O ATOM 692 CG2 THR A 49 -4.886 1.014 7.719 1.00 0.00 C ATOM 0 H THR A 49 -4.109 -1.755 8.000 1.00 0.00 H new ATOM 0 HA THR A 49 -5.556 -1.692 5.591 1.00 0.00 H new ATOM 0 HB THR A 49 -6.182 -0.598 7.865 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.276 1.131 6.608 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.543 1.666 8.294 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.161 0.549 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.360 1.601 6.966 1.00 0.00 H new ATOM 700 N LEU A 50 -4.562 0.577 4.435 1.00 0.00 N ATOM 701 CA LEU A 50 -3.907 1.186 3.285 1.00 0.00 C ATOM 702 C LEU A 50 -3.818 2.699 3.465 1.00 0.00 C ATOM 703 O LEU A 50 -4.482 3.270 4.329 1.00 0.00 O ATOM 704 CB LEU A 50 -4.670 0.756 2.023 1.00 0.00 C ATOM 705 CG LEU A 50 -6.073 1.311 1.846 1.00 0.00 C ATOM 706 CD1 LEU A 50 -6.082 2.471 0.860 1.00 0.00 C ATOM 707 CD2 LEU A 50 -6.983 0.192 1.348 1.00 0.00 C ATOM 0 H LEU A 50 -5.514 0.904 4.596 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.876 0.846 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.079 1.045 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.732 -0.332 2.019 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.432 1.687 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.099 2.849 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.436 3.267 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.718 2.128 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.994 0.577 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.611 -0.183 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.995 -0.619 2.077 1.00 0.00 H new ATOM 719 N ALA A 51 -3.185 3.345 2.488 1.00 0.00 N ATOM 720 CA ALA A 51 -3.009 4.789 2.517 1.00 0.00 C ATOM 721 C ALA A 51 -2.635 5.305 1.129 1.00 0.00 C ATOM 722 O ALA A 51 -1.583 4.961 0.593 1.00 0.00 O ATOM 723 CB ALA A 51 -1.950 5.173 3.547 1.00 0.00 C ATOM 0 H ALA A 51 -2.787 2.888 1.668 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.951 5.253 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.829 6.256 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.263 4.833 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.001 4.704 3.285 1.00 0.00 H new ATOM 729 N ASP A 52 -3.582 5.998 0.506 1.00 0.00 N ATOM 730 CA ASP A 52 -3.482 6.341 -0.906 1.00 0.00 C ATOM 731 C ASP A 52 -2.891 7.740 -1.071 1.00 0.00 C ATOM 732 O ASP A 52 -3.263 8.666 -0.353 1.00 0.00 O ATOM 733 CB ASP A 52 -4.810 6.137 -1.632 1.00 0.00 C ATOM 734 CG ASP A 52 -5.974 6.841 -0.962 1.00 0.00 C ATOM 735 OD1 ASP A 52 -6.587 6.305 -0.027 1.00 0.00 O ATOM 736 OD2 ASP A 52 -6.285 7.961 -1.425 1.00 0.00 O ATOM 0 H ASP A 52 -4.431 6.334 0.960 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.789 5.654 -1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.716 6.499 -2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.024 5.070 -1.690 1.00 0.00 H new ATOM 741 N LYS A 53 -2.112 7.908 -2.134 1.00 0.00 N ATOM 742 CA LYS A 53 -1.722 9.233 -2.603 1.00 0.00 C ATOM 743 C LYS A 53 -1.972 9.361 -4.100 1.00 0.00 C ATOM 744 O LYS A 53 -2.465 8.437 -4.744 1.00 0.00 O ATOM 745 CB LYS A 53 -0.247 9.523 -2.315 1.00 0.00 C ATOM 746 CG LYS A 53 0.019 10.946 -1.820 1.00 0.00 C ATOM 747 CD LYS A 53 1.183 11.031 -0.851 1.00 0.00 C ATOM 748 CE LYS A 53 0.893 11.745 0.404 1.00 0.00 C ATOM 749 NZ LYS A 53 1.730 11.241 1.522 1.00 0.00 N ATOM 0 H LYS A 53 -1.737 7.139 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.330 9.958 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.113 8.816 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.331 9.350 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.219 11.591 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.879 11.329 -1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.511 10.020 -0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.017 11.526 -1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.071 12.812 0.267 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.161 11.628 0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.501 11.765 2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.541 10.229 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.735 11.376 1.291 1.00 0.00 H new ATOM 763 N ASP A 54 -1.546 10.491 -4.658 1.00 0.00 N ATOM 764 CA ASP A 54 -1.920 10.856 -6.019 1.00 0.00 C ATOM 765 C ASP A 54 -1.404 9.818 -7.009 1.00 0.00 C ATOM 766 O ASP A 54 -0.329 9.976 -7.585 1.00 0.00 O ATOM 767 CB ASP A 54 -1.514 12.291 -6.348 1.00 0.00 C ATOM 768 CG ASP A 54 -2.682 13.163 -6.770 1.00 0.00 C ATOM 769 OD1 ASP A 54 -3.627 13.255 -5.959 1.00 0.00 O ATOM 770 OD2 ASP A 54 -2.663 13.765 -7.855 1.00 0.00 O ATOM 0 H ASP A 54 -0.943 11.167 -4.189 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.006 10.845 -6.106 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.035 12.735 -5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.772 12.277 -7.147 1.00 0.00 H new ATOM 775 N GLY A 55 -2.255 8.840 -7.303 1.00 0.00 N ATOM 776 CA GLY A 55 -2.003 7.896 -8.383 1.00 0.00 C ATOM 777 C GLY A 55 -1.458 6.583 -7.829 1.00 0.00 C ATOM 778 O GLY A 55 -1.387 5.582 -8.541 1.00 0.00 O ATOM 0 H GLY A 55 -3.130 8.681 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.925 7.710 -8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.291 8.323 -9.089 1.00 0.00 H new ATOM 782 N GLU A 56 -0.876 6.674 -6.638 1.00 0.00 N ATOM 783 CA GLU A 56 -0.198 5.543 -6.021 1.00 0.00 C ATOM 784 C GLU A 56 -0.608 5.424 -4.549 1.00 0.00 C ATOM 785 O GLU A 56 -1.625 5.985 -4.142 1.00 0.00 O ATOM 786 CB GLU A 56 1.302 5.754 -6.166 1.00 0.00 C ATOM 787 CG GLU A 56 1.819 7.103 -5.745 1.00 0.00 C ATOM 788 CD GLU A 56 3.262 7.418 -6.028 1.00 0.00 C ATOM 789 OE1 GLU A 56 4.198 6.784 -5.576 1.00 0.00 O ATOM 790 OE2 GLU A 56 3.385 8.316 -6.889 1.00 0.00 O ATOM 0 H GLU A 56 -0.861 7.527 -6.078 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.479 4.611 -6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.815 4.991 -5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.573 5.592 -7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.208 7.863 -6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.658 7.204 -4.672 1.00 0.00 H new ATOM 797 N ILE A 57 0.044 4.499 -3.852 1.00 0.00 N ATOM 798 CA ILE A 57 -0.475 3.975 -2.593 1.00 0.00 C ATOM 799 C ILE A 57 0.674 3.597 -1.662 1.00 0.00 C ATOM 800 O ILE A 57 1.842 3.824 -1.982 1.00 0.00 O ATOM 801 CB ILE A 57 -1.436 2.758 -2.869 1.00 0.00 C ATOM 802 CG1 ILE A 57 -0.617 1.587 -3.474 1.00 0.00 C ATOM 803 CG2 ILE A 57 -2.640 3.142 -3.757 1.00 0.00 C ATOM 804 CD1 ILE A 57 -1.428 0.288 -3.694 1.00 0.00 C ATOM 0 H ILE A 57 0.936 4.095 -4.139 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.058 4.748 -2.092 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.867 2.438 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.200 1.907 -4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.224 1.369 -2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.269 2.266 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.221 3.922 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.281 3.509 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.780 -0.478 -4.119 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.823 -0.060 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.253 0.486 -4.378 1.00 0.00 H new ATOM 816 N TYR A 58 0.320 3.188 -0.449 1.00 0.00 N ATOM 817 CA TYR A 58 1.268 3.191 0.671 1.00 0.00 C ATOM 818 C TYR A 58 0.577 2.627 1.916 1.00 0.00 C ATOM 819 O TYR A 58 -0.646 2.730 2.041 1.00 0.00 O ATOM 820 CB TYR A 58 1.802 4.606 0.928 1.00 0.00 C ATOM 821 CG TYR A 58 3.126 4.660 1.677 1.00 0.00 C ATOM 822 CD1 TYR A 58 3.130 4.627 3.073 1.00 0.00 C ATOM 823 CD2 TYR A 58 4.288 5.096 1.031 1.00 0.00 C ATOM 824 CE1 TYR A 58 4.282 4.905 3.803 1.00 0.00 C ATOM 825 CE2 TYR A 58 5.442 5.415 1.749 1.00 0.00 C ATOM 826 CZ TYR A 58 5.453 5.235 3.132 1.00 0.00 C ATOM 827 OH TYR A 58 6.576 5.461 3.878 1.00 0.00 O ATOM 0 H TYR A 58 -0.613 2.850 -0.211 1.00 0.00 H new ATOM 0 HA TYR A 58 2.123 2.561 0.423 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.921 5.114 -0.029 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.056 5.164 1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.219 4.380 3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.292 5.188 -0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.266 4.865 4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.315 5.796 1.240 1.00 0.00 H new ATOM 0 HH TYR A 58 7.324 5.681 3.285 1.00 0.00 H new ATOM 837 N CYS A 59 1.316 1.843 2.706 1.00 0.00 N ATOM 838 CA CYS A 59 0.699 0.743 3.460 1.00 0.00 C ATOM 839 C CYS A 59 0.477 1.137 4.907 1.00 0.00 C ATOM 840 O CYS A 59 1.148 2.040 5.423 1.00 0.00 O ATOM 841 CB CYS A 59 1.392 -0.574 3.227 1.00 0.00 C ATOM 842 SG CYS A 59 2.920 -0.948 4.073 1.00 0.00 S ATOM 0 H CYS A 59 2.322 1.944 2.840 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.302 0.560 3.069 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.682 -1.362 3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 59 1.588 -0.651 2.157 1.00 0.00 H new ATOM 0 HG CYS A 59 3.830 -1.271 3.203 1.00 0.00 H new ATOM 847 N LYS A 60 -0.281 0.302 5.618 1.00 0.00 N ATOM 848 CA LYS A 60 -0.401 0.416 7.064 1.00 0.00 C ATOM 849 C LYS A 60 0.749 -0.327 7.748 1.00 0.00 C ATOM 850 O LYS A 60 1.165 0.050 8.845 1.00 0.00 O ATOM 851 CB LYS A 60 -1.726 -0.147 7.575 1.00 0.00 C ATOM 852 CG LYS A 60 -1.936 0.023 9.080 1.00 0.00 C ATOM 853 CD LYS A 60 -1.714 1.447 9.556 1.00 0.00 C ATOM 854 CE LYS A 60 -2.494 2.468 8.840 1.00 0.00 C ATOM 855 NZ LYS A 60 -3.751 2.796 9.558 1.00 0.00 N ATOM 0 H LYS A 60 -0.821 -0.462 5.211 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.363 1.478 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.544 0.342 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.777 -1.208 7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.950 -0.285 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.256 -0.642 9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.958 1.502 10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.655 1.686 9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.894 3.371 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.729 2.111 7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.422 3.239 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.168 1.925 9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.545 3.455 10.336 1.00 0.00 H new ATOM 869 N GLY A 61 1.447 -1.129 6.949 1.00 0.00 N ATOM 870 CA GLY A 61 2.735 -1.687 7.331 1.00 0.00 C ATOM 871 C GLY A 61 3.771 -0.588 7.525 1.00 0.00 C ATOM 872 O GLY A 61 4.809 -0.796 8.154 1.00 0.00 O ATOM 0 H GLY A 61 1.134 -1.409 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.629 -2.258 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.076 -2.382 6.564 1.00 0.00 H new ATOM 876 N CYS A 62 3.413 0.629 7.118 1.00 0.00 N ATOM 877 CA CYS A 62 4.410 1.687 6.942 1.00 0.00 C ATOM 878 C CYS A 62 4.081 2.849 7.888 1.00 0.00 C ATOM 879 O CYS A 62 4.868 3.158 8.782 1.00 0.00 O ATOM 880 CB CYS A 62 4.457 2.161 5.493 1.00 0.00 C ATOM 881 SG CYS A 62 5.743 1.391 4.480 1.00 0.00 S ATOM 0 H CYS A 62 2.454 0.906 6.906 1.00 0.00 H new ATOM 0 HA CYS A 62 5.397 1.292 7.185 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.488 1.969 5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.606 3.241 5.484 1.00 0.00 H new ATOM 0 HG CYS A 62 5.307 0.259 4.012 1.00 0.00 H new ATOM 886 N TYR A 63 2.803 3.221 7.885 1.00 0.00 N ATOM 887 CA TYR A 63 2.231 4.043 8.942 1.00 0.00 C ATOM 888 C TYR A 63 2.353 3.338 10.291 1.00 0.00 C ATOM 889 O TYR A 63 2.375 3.984 11.338 1.00 0.00 O ATOM 890 CB TYR A 63 0.758 4.392 8.638 1.00 0.00 C ATOM 891 CG TYR A 63 0.544 5.799 8.132 1.00 0.00 C ATOM 892 CD1 TYR A 63 0.440 6.881 9.009 1.00 0.00 C ATOM 893 CD2 TYR A 63 0.439 6.049 6.764 1.00 0.00 C ATOM 894 CE1 TYR A 63 0.237 8.177 8.537 1.00 0.00 C ATOM 895 CE2 TYR A 63 0.222 7.334 6.277 1.00 0.00 C ATOM 896 CZ TYR A 63 0.104 8.393 7.167 1.00 0.00 C ATOM 897 OH TYR A 63 -0.143 9.637 6.655 1.00 0.00 O ATOM 0 H TYR A 63 2.141 2.962 7.154 1.00 0.00 H new ATOM 0 HA TYR A 63 2.792 4.976 8.988 1.00 0.00 H new ATOM 0 HB2 TYR A 63 0.376 3.690 7.897 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.169 4.251 9.544 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.518 6.711 10.073 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.528 5.228 6.068 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.183 9.006 9.227 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.146 7.507 5.214 1.00 0.00 H new ATOM 0 HH TYR A 63 -0.201 9.583 5.678 1.00 0.00 H new ATOM 907 N ALA A 64 2.614 2.037 10.230 1.00 0.00 N ATOM 908 CA ALA A 64 3.003 1.271 11.405 1.00 0.00 C ATOM 909 C ALA A 64 4.516 1.341 11.606 1.00 0.00 C ATOM 910 O ALA A 64 4.988 1.778 12.655 1.00 0.00 O ATOM 911 CB ALA A 64 2.535 -0.175 11.275 1.00 0.00 C ATOM 0 H ALA A 64 2.562 1.489 9.372 1.00 0.00 H new ATOM 0 HA ALA A 64 2.523 1.704 12.282 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.833 -0.735 12.161 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.449 -0.199 11.179 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.987 -0.626 10.392 1.00 0.00 H new ATOM 917 N LYS A 65 5.232 1.197 10.492 1.00 0.00 N ATOM 918 CA LYS A 65 6.684 1.292 10.498 1.00 0.00 C ATOM 919 C LYS A 65 7.128 2.671 10.978 1.00 0.00 C ATOM 920 O LYS A 65 8.243 2.835 11.472 1.00 0.00 O ATOM 921 CB LYS A 65 7.279 1.034 9.111 1.00 0.00 C ATOM 922 CG LYS A 65 8.523 0.147 9.128 1.00 0.00 C ATOM 923 CD LYS A 65 9.588 0.630 10.096 1.00 0.00 C ATOM 924 CE LYS A 65 9.442 0.132 11.473 1.00 0.00 C ATOM 925 NZ LYS A 65 10.738 0.156 12.199 1.00 0.00 N ATOM 0 H LYS A 65 4.826 1.014 9.574 1.00 0.00 H new ATOM 0 HA LYS A 65 7.049 0.524 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.521 0.568 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.532 1.989 8.651 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.233 -0.869 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.945 0.105 8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.565 0.330 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.574 1.720 10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.713 0.742 12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.053 -0.886 11.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.601 -0.201 13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.425 -0.446 11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.096 1.132 12.238 1.00 0.00 H new ATOM 939 N ASN A 66 6.157 3.579 11.058 1.00 0.00 N ATOM 940 CA ASN A 66 6.429 4.949 11.470 1.00 0.00 C ATOM 941 C ASN A 66 6.018 5.156 12.925 1.00 0.00 C ATOM 942 O ASN A 66 5.708 6.273 13.338 1.00 0.00 O ATOM 943 CB ASN A 66 5.822 5.960 10.501 1.00 0.00 C ATOM 944 CG ASN A 66 6.843 6.582 9.566 1.00 0.00 C ATOM 945 OD1 ASN A 66 6.896 7.811 9.413 1.00 0.00 O ATOM 946 ND2 ASN A 66 7.635 5.736 8.910 1.00 0.00 N ATOM 0 H ASN A 66 5.178 3.389 10.843 1.00 0.00 H new ATOM 0 HA ASN A 66 7.503 5.129 11.425 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.050 5.468 9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.332 6.750 11.070 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.324 6.092 8.247 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.553 4.732 9.071 1.00 0.00 H new