USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 451 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 47 HIS : no HD1:sc= -1.69 K(o=-3.3,f=1.3) USER MOD Set 1.2: A 48 CYS SG : rot -149:sc= -1.6 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 146:sc= 0.0549 (180deg=-0.603) USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= 0.91 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.0592 K(o=0.059,f=-7.5!) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0443) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0265) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0.336 (180deg=0.287) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -110:sc= 0.287 USER MOD Single : A 43 HIS : no HD1:sc=-0.00886 X(o=-0.0089,f=-0.041) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 59 HIS : no HD1:sc=-0.00817 X(o=-0.0082,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 6 10.551 4.775 1.663 1.00 0.00 N ATOM 51 CA LEU A 6 9.590 5.279 2.648 1.00 0.00 C ATOM 52 C LEU A 6 8.335 4.412 2.564 1.00 0.00 C ATOM 53 O LEU A 6 7.343 4.780 1.921 1.00 0.00 O ATOM 54 CB LEU A 6 9.279 6.771 2.362 1.00 0.00 C ATOM 55 CG LEU A 6 10.528 7.669 2.141 1.00 0.00 C ATOM 56 CD1 LEU A 6 10.123 9.105 1.770 1.00 0.00 C ATOM 57 CD2 LEU A 6 11.470 7.638 3.368 1.00 0.00 C ATOM 0 HA LEU A 6 9.996 5.223 3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.645 6.832 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.703 7.173 3.195 1.00 0.00 H new ATOM 0 HG LEU A 6 11.085 7.261 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.018 9.709 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.538 9.092 0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.525 9.534 2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.333 8.276 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.935 8.000 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.806 6.616 3.543 1.00 0.00 H new ATOM 69 N TYR A 7 8.456 3.211 3.134 1.00 0.00 N ATOM 70 CA TYR A 7 7.375 2.216 3.179 1.00 0.00 C ATOM 71 C TYR A 7 6.148 2.786 3.909 1.00 0.00 C ATOM 72 O TYR A 7 5.147 3.144 3.280 1.00 0.00 O ATOM 73 CB TYR A 7 7.890 0.908 3.836 1.00 0.00 C ATOM 74 CG TYR A 7 8.976 0.208 3.006 1.00 0.00 C ATOM 75 CD1 TYR A 7 8.645 -0.732 2.026 1.00 0.00 C ATOM 76 CD2 TYR A 7 10.324 0.517 3.178 1.00 0.00 C ATOM 77 CE1 TYR A 7 9.618 -1.337 1.258 1.00 0.00 C ATOM 78 CE2 TYR A 7 11.302 -0.088 2.415 1.00 0.00 C ATOM 79 CZ TYR A 7 10.943 -1.014 1.453 1.00 0.00 C ATOM 80 OH TYR A 7 11.912 -1.621 0.680 1.00 0.00 O ATOM 0 H TYR A 7 9.316 2.896 3.583 1.00 0.00 H new ATOM 0 HA TYR A 7 7.060 1.976 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.287 1.136 4.825 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.052 0.225 3.979 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.608 -0.989 1.867 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.609 1.245 3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.342 -2.062 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 7 12.342 0.160 2.568 1.00 0.00 H new ATOM 0 HH TYR A 7 12.795 -1.285 0.939 1.00 0.00 H new ATOM 90 N GLU A 8 6.254 2.876 5.228 1.00 0.00 N ATOM 91 CA GLU A 8 5.278 3.543 6.082 1.00 0.00 C ATOM 92 C GLU A 8 6.003 3.899 7.364 1.00 0.00 C ATOM 93 O GLU A 8 6.231 3.026 8.191 1.00 0.00 O ATOM 94 CB GLU A 8 4.044 2.632 6.358 1.00 0.00 C ATOM 95 CG GLU A 8 3.027 3.205 7.371 1.00 0.00 C ATOM 96 CD GLU A 8 1.808 2.292 7.613 1.00 0.00 C ATOM 97 OE1 GLU A 8 1.994 1.070 7.803 1.00 0.00 O ATOM 98 OE2 GLU A 8 0.662 2.792 7.640 1.00 0.00 O ATOM 0 H GLU A 8 7.038 2.479 5.746 1.00 0.00 H new ATOM 0 HA GLU A 8 4.884 4.436 5.598 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.530 2.445 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.397 1.668 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.533 3.379 8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.678 4.174 7.013 1.00 0.00 H new ATOM 105 N VAL A 9 6.438 5.155 7.494 1.00 0.00 N ATOM 106 CA VAL A 9 7.164 5.601 8.686 1.00 0.00 C ATOM 107 C VAL A 9 6.187 5.685 9.877 1.00 0.00 C ATOM 108 O VAL A 9 5.049 6.142 9.716 1.00 0.00 O ATOM 109 CB VAL A 9 7.920 6.975 8.439 1.00 0.00 C ATOM 110 CG1 VAL A 9 8.797 6.898 7.158 1.00 0.00 C ATOM 111 CG2 VAL A 9 6.968 8.195 8.375 1.00 0.00 C ATOM 0 H VAL A 9 6.300 5.880 6.790 1.00 0.00 H new ATOM 0 HA VAL A 9 7.938 4.871 8.920 1.00 0.00 H new ATOM 0 HB VAL A 9 8.563 7.130 9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.306 7.850 7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.536 6.105 7.270 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.164 6.685 6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.549 9.101 8.204 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.258 8.060 7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.426 8.283 9.317 1.00 0.00 H new ATOM 121 N GLU A 10 6.586 5.137 11.040 1.00 0.00 N ATOM 122 CA GLU A 10 5.845 5.323 12.287 1.00 0.00 C ATOM 123 C GLU A 10 6.106 6.736 12.808 1.00 0.00 C ATOM 124 O GLU A 10 5.168 7.518 12.989 1.00 0.00 O ATOM 125 CB GLU A 10 6.255 4.275 13.358 1.00 0.00 C ATOM 126 CG GLU A 10 5.513 4.447 14.701 1.00 0.00 C ATOM 127 CD GLU A 10 5.940 3.441 15.776 1.00 0.00 C ATOM 128 OE1 GLU A 10 6.894 3.716 16.525 1.00 0.00 O ATOM 129 OE2 GLU A 10 5.309 2.380 15.892 1.00 0.00 O ATOM 0 H GLU A 10 7.422 4.560 11.135 1.00 0.00 H new ATOM 0 HA GLU A 10 4.783 5.185 12.087 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.061 3.275 12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.329 4.346 13.533 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.684 5.457 15.073 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.441 4.348 14.529 1.00 0.00 H new ATOM 136 N ARG A 11 7.398 7.068 12.999 1.00 0.00 N ATOM 137 CA ARG A 11 7.800 8.355 13.593 1.00 0.00 C ATOM 138 C ARG A 11 9.284 8.612 13.344 1.00 0.00 C ATOM 139 O ARG A 11 10.017 7.715 12.898 1.00 0.00 O ATOM 140 CB ARG A 11 7.514 8.366 15.136 1.00 0.00 C ATOM 141 CG ARG A 11 8.555 7.612 16.010 1.00 0.00 C ATOM 142 CD ARG A 11 8.103 7.437 17.468 1.00 0.00 C ATOM 143 NE ARG A 11 7.002 6.469 17.564 1.00 0.00 N ATOM 144 CZ ARG A 11 6.111 6.380 18.560 1.00 0.00 C ATOM 145 NH1 ARG A 11 6.094 7.255 19.553 1.00 0.00 N ATOM 146 NH2 ARG A 11 5.223 5.404 18.539 1.00 0.00 N ATOM 0 H ARG A 11 8.180 6.462 12.750 1.00 0.00 H new ATOM 0 HA ARG A 11 7.215 9.145 13.121 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.464 9.402 15.472 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.532 7.927 15.310 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.744 6.631 15.574 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.499 8.157 15.991 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.943 7.099 18.075 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.784 8.398 17.872 1.00 0.00 H new ATOM 0 HE ARG A 11 6.907 5.801 16.799 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.770 8.019 19.571 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.405 7.165 20.300 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.222 4.732 17.772 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.537 5.322 19.290 1.00 0.00 H new ATOM 160 N ILE A 12 9.718 9.841 13.656 1.00 0.00 N ATOM 161 CA ILE A 12 11.136 10.171 13.738 1.00 0.00 C ATOM 162 C ILE A 12 11.630 9.843 15.152 1.00 0.00 C ATOM 163 O ILE A 12 11.087 10.346 16.139 1.00 0.00 O ATOM 164 CB ILE A 12 11.433 11.676 13.410 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.764 12.088 12.053 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.971 11.939 13.394 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.265 13.399 11.480 1.00 0.00 C ATOM 0 H ILE A 12 9.096 10.625 13.856 1.00 0.00 H new ATOM 0 HA ILE A 12 11.662 9.579 12.989 1.00 0.00 H new ATOM 0 HB ILE A 12 10.998 12.297 14.194 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.935 11.297 11.323 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.686 12.158 12.200 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.158 12.988 13.165 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.391 11.700 14.371 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.439 11.313 12.635 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.750 13.607 10.542 1.00 0.00 H new ATOM 0 HD12 ILE A 12 11.069 14.204 12.188 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.337 13.330 11.297 1.00 0.00 H new ATOM 179 N VAL A 13 12.630 8.970 15.211 1.00 0.00 N ATOM 180 CA VAL A 13 13.301 8.556 16.448 1.00 0.00 C ATOM 181 C VAL A 13 14.161 9.715 16.974 1.00 0.00 C ATOM 182 O VAL A 13 14.041 10.120 18.139 1.00 0.00 O ATOM 183 CB VAL A 13 14.218 7.304 16.179 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.945 6.820 17.455 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.410 6.171 15.527 1.00 0.00 C ATOM 0 H VAL A 13 13.010 8.516 14.380 1.00 0.00 H new ATOM 0 HA VAL A 13 12.547 8.289 17.188 1.00 0.00 H new ATOM 0 HB VAL A 13 14.996 7.615 15.482 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.564 5.955 17.215 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.575 7.621 17.841 1.00 0.00 H new ATOM 0 HG13 VAL A 13 14.209 6.542 18.210 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.061 5.315 15.349 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.596 5.876 16.190 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.998 6.517 14.579 1.00 0.00 H new ATOM 195 N ASP A 14 14.995 10.258 16.065 1.00 0.00 N ATOM 196 CA ASP A 14 15.981 11.304 16.379 1.00 0.00 C ATOM 197 C ASP A 14 16.571 11.833 15.045 1.00 0.00 C ATOM 198 O ASP A 14 16.076 11.506 13.966 1.00 0.00 O ATOM 199 CB ASP A 14 17.101 10.754 17.341 1.00 0.00 C ATOM 200 CG ASP A 14 17.880 11.831 18.152 1.00 0.00 C ATOM 201 OD1 ASP A 14 17.592 13.054 18.044 1.00 0.00 O ATOM 202 OD2 ASP A 14 18.798 11.446 18.909 1.00 0.00 O ATOM 0 H ASP A 14 15.001 9.978 15.084 1.00 0.00 H new ATOM 0 HA ASP A 14 15.500 12.126 16.908 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.642 10.058 18.043 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.816 10.184 16.748 1.00 0.00 H new ATOM 207 N LYS A 15 17.584 12.686 15.136 1.00 0.00 N ATOM 208 CA LYS A 15 18.386 13.142 13.999 1.00 0.00 C ATOM 209 C LYS A 15 19.865 13.057 14.388 1.00 0.00 C ATOM 210 O LYS A 15 20.196 12.840 15.562 1.00 0.00 O ATOM 211 CB LYS A 15 17.964 14.601 13.590 1.00 0.00 C ATOM 212 CG LYS A 15 18.081 15.675 14.715 1.00 0.00 C ATOM 213 CD LYS A 15 19.521 16.215 14.953 1.00 0.00 C ATOM 214 CE LYS A 15 19.768 16.601 16.430 1.00 0.00 C ATOM 215 NZ LYS A 15 19.594 15.428 17.345 1.00 0.00 N ATOM 0 H LYS A 15 17.881 13.092 16.023 1.00 0.00 H new ATOM 0 HA LYS A 15 18.217 12.508 13.128 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.579 14.915 12.747 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.932 14.577 13.241 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.430 16.513 14.467 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.710 15.248 15.646 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.245 15.458 14.652 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.689 17.086 14.319 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.776 17.001 16.538 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.078 17.394 16.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.262 15.504 18.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 18.621 15.415 17.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.778 14.549 16.821 1.00 0.00 H new ATOM 229 N ARG A 16 20.736 13.254 13.397 1.00 0.00 N ATOM 230 CA ARG A 16 22.171 13.501 13.604 1.00 0.00 C ATOM 231 C ARG A 16 22.780 14.058 12.315 1.00 0.00 C ATOM 232 O ARG A 16 22.110 14.122 11.273 1.00 0.00 O ATOM 233 CB ARG A 16 22.953 12.238 14.108 1.00 0.00 C ATOM 234 CG ARG A 16 23.005 11.004 13.168 1.00 0.00 C ATOM 235 CD ARG A 16 21.675 10.196 13.076 1.00 0.00 C ATOM 236 NE ARG A 16 21.898 8.728 13.053 1.00 0.00 N ATOM 237 CZ ARG A 16 22.415 8.025 12.034 1.00 0.00 C ATOM 238 NH1 ARG A 16 22.826 8.616 10.935 1.00 0.00 N ATOM 239 NH2 ARG A 16 22.531 6.712 12.127 1.00 0.00 N ATOM 0 H ARG A 16 20.465 13.247 12.414 1.00 0.00 H new ATOM 0 HA ARG A 16 22.267 14.236 14.403 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.978 12.541 14.322 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.509 11.923 15.052 1.00 0.00 H new ATOM 0 HG2 ARG A 16 23.281 11.338 12.168 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.796 10.337 13.511 1.00 0.00 H new ATOM 0 HD2 ARG A 16 21.041 10.450 13.925 1.00 0.00 H new ATOM 0 HD3 ARG A 16 21.136 10.492 12.176 1.00 0.00 H new ATOM 0 HE ARG A 16 21.634 8.206 13.889 1.00 0.00 H new ATOM 0 HH11 ARG A 16 22.755 9.629 10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 16 23.216 8.061 10.173 1.00 0.00 H new ATOM 0 HH21 ARG A 16 22.227 6.232 12.974 1.00 0.00 H new ATOM 0 HH22 ARG A 16 22.924 6.179 11.352 1.00 0.00 H new ATOM 253 N LYS A 17 24.026 14.519 12.403 1.00 0.00 N ATOM 254 CA LYS A 17 24.776 15.021 11.252 1.00 0.00 C ATOM 255 C LYS A 17 25.716 13.908 10.773 1.00 0.00 C ATOM 256 O LYS A 17 26.352 13.233 11.591 1.00 0.00 O ATOM 257 CB LYS A 17 25.576 16.331 11.605 1.00 0.00 C ATOM 258 CG LYS A 17 25.542 17.455 10.519 1.00 0.00 C ATOM 259 CD LYS A 17 24.356 18.460 10.669 1.00 0.00 C ATOM 260 CE LYS A 17 22.965 17.861 10.373 1.00 0.00 C ATOM 261 NZ LYS A 17 21.873 18.826 10.651 1.00 0.00 N ATOM 0 H LYS A 17 24.547 14.555 13.279 1.00 0.00 H new ATOM 0 HA LYS A 17 24.083 15.291 10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.180 16.737 12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.616 16.062 11.791 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.480 18.010 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.487 16.991 9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.358 18.855 11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 17 24.524 19.303 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.918 17.552 9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.820 16.966 10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.230 18.426 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.278 19.715 11.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.345 19.014 9.775 1.00 0.00 H new ATOM 275 N ASN A 18 25.776 13.722 9.456 1.00 0.00 N ATOM 276 CA ASN A 18 26.643 12.725 8.802 1.00 0.00 C ATOM 277 C ASN A 18 28.123 13.120 8.951 1.00 0.00 C ATOM 278 O ASN A 18 28.440 14.252 9.341 1.00 0.00 O ATOM 279 CB ASN A 18 26.222 12.602 7.307 1.00 0.00 C ATOM 280 CG ASN A 18 26.894 11.470 6.526 1.00 0.00 C ATOM 281 OD1 ASN A 18 27.910 11.672 5.868 1.00 0.00 O ATOM 282 ND2 ASN A 18 26.331 10.275 6.593 1.00 0.00 N ATOM 0 H ASN A 18 25.218 14.265 8.797 1.00 0.00 H new ATOM 0 HA ASN A 18 26.525 11.752 9.279 1.00 0.00 H new ATOM 0 HB2 ASN A 18 25.142 12.460 7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 18 26.441 13.545 6.807 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.741 9.489 6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.487 10.140 7.149 1.00 0.00 H new ATOM 289 N LYS A 19 29.022 12.174 8.647 1.00 0.00 N ATOM 290 CA LYS A 19 30.483 12.414 8.599 1.00 0.00 C ATOM 291 C LYS A 19 30.849 13.522 7.573 1.00 0.00 C ATOM 292 O LYS A 19 31.890 14.165 7.678 1.00 0.00 O ATOM 293 CB LYS A 19 31.203 11.065 8.294 1.00 0.00 C ATOM 294 CG LYS A 19 30.705 10.306 7.029 1.00 0.00 C ATOM 295 CD LYS A 19 31.380 10.755 5.713 1.00 0.00 C ATOM 296 CE LYS A 19 30.802 10.029 4.488 1.00 0.00 C ATOM 297 NZ LYS A 19 31.038 8.562 4.536 1.00 0.00 N ATOM 0 H LYS A 19 28.761 11.213 8.425 1.00 0.00 H new ATOM 0 HA LYS A 19 30.823 12.783 9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 19 32.269 11.261 8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 19 31.088 10.410 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 19 30.879 9.239 7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 19 29.628 10.444 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 19 31.253 11.830 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 19 32.452 10.566 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.731 10.220 4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 19 31.250 10.437 3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.706 8.128 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 32.055 8.378 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.518 8.153 5.338 1.00 0.00 H new ATOM 311 N LYS A 20 29.961 13.713 6.587 1.00 0.00 N ATOM 312 CA LYS A 20 30.068 14.759 5.550 1.00 0.00 C ATOM 313 C LYS A 20 29.196 15.988 5.894 1.00 0.00 C ATOM 314 O LYS A 20 28.921 16.819 5.016 1.00 0.00 O ATOM 315 CB LYS A 20 29.671 14.137 4.161 1.00 0.00 C ATOM 316 CG LYS A 20 30.869 13.647 3.315 1.00 0.00 C ATOM 317 CD LYS A 20 31.850 14.791 2.957 1.00 0.00 C ATOM 318 CE LYS A 20 31.204 15.880 2.083 1.00 0.00 C ATOM 319 NZ LYS A 20 30.826 15.364 0.745 1.00 0.00 N ATOM 0 H LYS A 20 29.128 13.133 6.483 1.00 0.00 H new ATOM 0 HA LYS A 20 31.097 15.116 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 20 28.995 13.299 4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 20 29.117 14.881 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 20 31.404 12.872 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 20 30.499 13.190 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 20 32.224 15.243 3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 20 32.711 14.375 2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 20 30.319 16.270 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 20 31.898 16.712 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 30.457 16.144 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 31.662 14.953 0.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 30.094 14.633 0.849 1.00 0.00 H new ATOM 333 N GLY A 21 28.794 16.092 7.176 1.00 0.00 N ATOM 334 CA GLY A 21 27.975 17.200 7.671 1.00 0.00 C ATOM 335 C GLY A 21 26.607 17.292 6.995 1.00 0.00 C ATOM 336 O GLY A 21 26.059 18.381 6.838 1.00 0.00 O ATOM 0 H GLY A 21 29.032 15.406 7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.834 17.086 8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.512 18.136 7.517 1.00 0.00 H new ATOM 340 N LYS A 22 26.062 16.135 6.595 1.00 0.00 N ATOM 341 CA LYS A 22 24.759 16.058 5.910 1.00 0.00 C ATOM 342 C LYS A 22 23.630 15.916 6.936 1.00 0.00 C ATOM 343 O LYS A 22 23.856 15.466 8.061 1.00 0.00 O ATOM 344 CB LYS A 22 24.740 14.866 4.917 1.00 0.00 C ATOM 345 CG LYS A 22 25.861 14.908 3.855 1.00 0.00 C ATOM 346 CD LYS A 22 25.823 16.199 3.008 1.00 0.00 C ATOM 347 CE LYS A 22 26.926 16.255 1.939 1.00 0.00 C ATOM 348 NZ LYS A 22 26.841 17.496 1.138 1.00 0.00 N ATOM 0 H LYS A 22 26.508 15.228 6.735 1.00 0.00 H new ATOM 0 HA LYS A 22 24.606 16.979 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.824 13.937 5.481 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.775 14.845 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.829 14.830 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.768 14.043 3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.851 16.278 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.921 17.061 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 22 27.903 16.197 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.842 15.390 1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 27.599 17.502 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 25.918 17.539 0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.946 18.321 1.763 1.00 0.00 H new ATOM 362 N TRP A 23 22.419 16.300 6.536 1.00 0.00 N ATOM 363 CA TRP A 23 21.227 16.205 7.385 1.00 0.00 C ATOM 364 C TRP A 23 20.688 14.762 7.371 1.00 0.00 C ATOM 365 O TRP A 23 20.251 14.270 6.323 1.00 0.00 O ATOM 366 CB TRP A 23 20.139 17.184 6.887 1.00 0.00 C ATOM 367 CG TRP A 23 20.499 18.643 6.966 1.00 0.00 C ATOM 368 CD1 TRP A 23 20.136 19.517 7.945 1.00 0.00 C ATOM 369 CD2 TRP A 23 21.269 19.398 6.019 1.00 0.00 C ATOM 370 NE1 TRP A 23 20.621 20.762 7.666 1.00 0.00 N ATOM 371 CE2 TRP A 23 21.323 20.717 6.493 1.00 0.00 C ATOM 372 CE3 TRP A 23 21.913 19.083 4.817 1.00 0.00 C ATOM 373 CZ2 TRP A 23 21.997 21.724 5.814 1.00 0.00 C ATOM 374 CZ3 TRP A 23 22.582 20.083 4.144 1.00 0.00 C ATOM 375 CH2 TRP A 23 22.621 21.390 4.644 1.00 0.00 C ATOM 0 H TRP A 23 22.234 16.688 5.611 1.00 0.00 H new ATOM 0 HA TRP A 23 21.497 16.473 8.406 1.00 0.00 H new ATOM 0 HB2 TRP A 23 19.902 16.941 5.851 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.232 17.019 7.468 1.00 0.00 H new ATOM 0 HD1 TRP A 23 19.550 19.262 8.815 1.00 0.00 H new ATOM 0 HE1 TRP A 23 20.482 21.593 8.241 1.00 0.00 H new ATOM 0 HE3 TRP A 23 21.886 18.077 4.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 22.027 22.734 6.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 23.084 19.854 3.216 1.00 0.00 H new ATOM 0 HH2 TRP A 23 23.155 22.151 4.094 1.00 0.00 H new ATOM 386 N GLU A 24 20.752 14.094 8.533 1.00 0.00 N ATOM 387 CA GLU A 24 20.202 12.741 8.733 1.00 0.00 C ATOM 388 C GLU A 24 19.100 12.794 9.788 1.00 0.00 C ATOM 389 O GLU A 24 19.161 13.605 10.718 1.00 0.00 O ATOM 390 CB GLU A 24 21.301 11.764 9.216 1.00 0.00 C ATOM 391 CG GLU A 24 22.491 11.615 8.259 1.00 0.00 C ATOM 392 CD GLU A 24 23.535 10.623 8.786 1.00 0.00 C ATOM 393 OE1 GLU A 24 24.138 10.898 9.847 1.00 0.00 O ATOM 394 OE2 GLU A 24 23.735 9.547 8.179 1.00 0.00 O ATOM 0 H GLU A 24 21.191 14.480 9.369 1.00 0.00 H new ATOM 0 HA GLU A 24 19.806 12.388 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 24 21.670 12.104 10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.853 10.783 9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 24 22.133 11.280 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.959 12.588 8.109 1.00 0.00 H new ATOM 401 N TYR A 25 18.102 11.929 9.632 1.00 0.00 N ATOM 402 CA TYR A 25 17.056 11.699 10.627 1.00 0.00 C ATOM 403 C TYR A 25 16.929 10.193 10.849 1.00 0.00 C ATOM 404 O TYR A 25 16.742 9.433 9.896 1.00 0.00 O ATOM 405 CB TYR A 25 15.695 12.286 10.172 1.00 0.00 C ATOM 406 CG TYR A 25 15.579 13.820 10.247 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.097 14.639 9.241 1.00 0.00 C ATOM 408 CD2 TYR A 25 14.924 14.446 11.317 1.00 0.00 C ATOM 409 CE1 TYR A 25 15.964 16.012 9.299 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.795 15.818 11.376 1.00 0.00 C ATOM 411 CZ TYR A 25 15.314 16.592 10.365 1.00 0.00 C ATOM 412 OH TYR A 25 15.173 17.956 10.414 1.00 0.00 O ATOM 0 H TYR A 25 17.994 11.357 8.795 1.00 0.00 H new ATOM 0 HA TYR A 25 17.331 12.202 11.554 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.510 11.974 9.144 1.00 0.00 H new ATOM 0 HB3 TYR A 25 14.907 11.849 10.785 1.00 0.00 H new ATOM 0 HD1 TYR A 25 16.610 14.190 8.403 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.512 13.841 12.111 1.00 0.00 H new ATOM 0 HE1 TYR A 25 16.369 16.629 8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.290 16.281 12.211 1.00 0.00 H new ATOM 0 HH TYR A 25 14.690 18.206 11.230 1.00 0.00 H new ATOM 422 N LEU A 26 17.075 9.775 12.109 1.00 0.00 N ATOM 423 CA LEU A 26 16.811 8.406 12.526 1.00 0.00 C ATOM 424 C LEU A 26 15.285 8.222 12.561 1.00 0.00 C ATOM 425 O LEU A 26 14.605 8.892 13.324 1.00 0.00 O ATOM 426 CB LEU A 26 17.452 8.139 13.920 1.00 0.00 C ATOM 427 CG LEU A 26 17.667 6.646 14.287 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.544 5.935 13.232 1.00 0.00 C ATOM 429 CD2 LEU A 26 18.272 6.506 15.705 1.00 0.00 C ATOM 0 H LEU A 26 17.381 10.384 12.868 1.00 0.00 H new ATOM 0 HA LEU A 26 17.251 7.691 11.831 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.416 8.646 13.959 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.821 8.594 14.683 1.00 0.00 H new ATOM 0 HG LEU A 26 16.693 6.157 14.291 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.678 4.891 13.514 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.057 5.988 12.258 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.517 6.424 13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.413 5.451 15.938 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.234 7.017 15.742 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.596 6.952 16.435 1.00 0.00 H new ATOM 441 N ILE A 27 14.769 7.397 11.651 1.00 0.00 N ATOM 442 CA ILE A 27 13.331 7.106 11.492 1.00 0.00 C ATOM 443 C ILE A 27 13.087 5.618 11.795 1.00 0.00 C ATOM 444 O ILE A 27 13.987 4.807 11.621 1.00 0.00 O ATOM 445 CB ILE A 27 12.848 7.389 10.003 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.404 8.740 9.447 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.305 7.346 9.884 1.00 0.00 C ATOM 448 CD1 ILE A 27 12.882 9.976 10.133 1.00 0.00 C ATOM 0 H ILE A 27 15.351 6.894 10.981 1.00 0.00 H new ATOM 0 HA ILE A 27 12.776 7.748 12.176 1.00 0.00 H new ATOM 0 HB ILE A 27 13.259 6.587 9.390 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.491 8.729 9.529 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.165 8.804 8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.014 7.544 8.852 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.945 6.361 10.180 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.869 8.103 10.536 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.326 10.861 9.676 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.798 10.019 10.029 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.144 9.943 11.191 1.00 0.00 H new ATOM 460 N ARG A 28 11.876 5.273 12.251 1.00 0.00 N ATOM 461 CA ARG A 28 11.420 3.870 12.315 1.00 0.00 C ATOM 462 C ARG A 28 10.106 3.730 11.545 1.00 0.00 C ATOM 463 O ARG A 28 9.267 4.644 11.580 1.00 0.00 O ATOM 464 CB ARG A 28 11.249 3.383 13.767 1.00 0.00 C ATOM 465 CG ARG A 28 10.258 4.212 14.614 1.00 0.00 C ATOM 466 CD ARG A 28 10.098 3.647 16.028 1.00 0.00 C ATOM 467 NE ARG A 28 11.406 3.482 16.693 1.00 0.00 N ATOM 468 CZ ARG A 28 11.729 3.888 17.921 1.00 0.00 C ATOM 469 NH1 ARG A 28 10.828 4.453 18.716 1.00 0.00 N ATOM 470 NH2 ARG A 28 12.973 3.733 18.334 1.00 0.00 N ATOM 0 H ARG A 28 11.187 5.948 12.584 1.00 0.00 H new ATOM 0 HA ARG A 28 12.185 3.242 11.858 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.913 2.346 13.751 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.223 3.395 14.257 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.606 5.243 14.673 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.287 4.231 14.120 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.469 4.313 16.619 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.588 2.685 15.982 1.00 0.00 H new ATOM 0 HE ARG A 28 12.136 3.010 16.159 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.870 4.583 18.390 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.094 4.757 19.653 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.666 3.309 17.717 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.241 4.037 19.270 1.00 0.00 H new ATOM 484 N TRP A 29 9.965 2.603 10.823 1.00 0.00 N ATOM 485 CA TRP A 29 8.736 2.246 10.091 1.00 0.00 C ATOM 486 C TRP A 29 7.767 1.471 11.002 1.00 0.00 C ATOM 487 O TRP A 29 8.181 0.845 11.987 1.00 0.00 O ATOM 488 CB TRP A 29 9.051 1.417 8.813 1.00 0.00 C ATOM 489 CG TRP A 29 10.031 2.077 7.866 1.00 0.00 C ATOM 490 CD1 TRP A 29 10.082 3.399 7.501 1.00 0.00 C ATOM 491 CD2 TRP A 29 11.090 1.432 7.155 1.00 0.00 C ATOM 492 NE1 TRP A 29 11.127 3.610 6.641 1.00 0.00 N ATOM 493 CE2 TRP A 29 11.758 2.417 6.415 1.00 0.00 C ATOM 494 CE3 TRP A 29 11.542 0.113 7.090 1.00 0.00 C ATOM 495 CZ2 TRP A 29 12.857 2.126 5.619 1.00 0.00 C ATOM 496 CZ3 TRP A 29 12.634 -0.175 6.297 1.00 0.00 C ATOM 497 CH2 TRP A 29 13.283 0.829 5.570 1.00 0.00 C ATOM 0 H TRP A 29 10.707 1.909 10.731 1.00 0.00 H new ATOM 0 HA TRP A 29 8.260 3.176 9.779 1.00 0.00 H new ATOM 0 HB2 TRP A 29 9.450 0.448 9.112 1.00 0.00 H new ATOM 0 HB3 TRP A 29 8.120 1.227 8.279 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.398 4.162 7.842 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.391 4.508 6.236 1.00 0.00 H new ATOM 0 HE3 TRP A 29 11.047 -0.667 7.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.359 2.900 5.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 12.993 -1.192 6.237 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.136 0.574 4.959 1.00 0.00 H new ATOM 508 N LYS A 30 6.479 1.520 10.639 1.00 0.00 N ATOM 509 CA LYS A 30 5.387 0.926 11.416 1.00 0.00 C ATOM 510 C LYS A 30 5.449 -0.613 11.328 1.00 0.00 C ATOM 511 O LYS A 30 5.740 -1.166 10.259 1.00 0.00 O ATOM 512 CB LYS A 30 4.031 1.472 10.896 1.00 0.00 C ATOM 513 CG LYS A 30 2.803 1.100 11.763 1.00 0.00 C ATOM 514 CD LYS A 30 1.478 1.684 11.220 1.00 0.00 C ATOM 515 CE LYS A 30 1.491 3.222 11.127 1.00 0.00 C ATOM 516 NZ LYS A 30 0.232 3.750 10.545 1.00 0.00 N ATOM 0 H LYS A 30 6.163 1.980 9.785 1.00 0.00 H new ATOM 0 HA LYS A 30 5.488 1.200 12.466 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.095 2.558 10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.870 1.099 9.884 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.719 0.015 11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.962 1.459 12.780 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.282 1.267 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.658 1.372 11.866 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.637 3.645 12.121 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.336 3.542 10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.198 4.782 10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.196 3.521 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.582 3.317 11.027 1.00 0.00 H new ATOM 530 N GLY A 31 5.206 -1.288 12.463 1.00 0.00 N ATOM 531 CA GLY A 31 5.348 -2.745 12.567 1.00 0.00 C ATOM 532 C GLY A 31 6.729 -3.170 13.053 1.00 0.00 C ATOM 533 O GLY A 31 6.929 -4.337 13.413 1.00 0.00 O ATOM 0 H GLY A 31 4.907 -0.840 13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.592 -3.131 13.251 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.156 -3.195 11.593 1.00 0.00 H new ATOM 537 N TYR A 32 7.685 -2.222 13.055 1.00 0.00 N ATOM 538 CA TYR A 32 9.078 -2.474 13.461 1.00 0.00 C ATOM 539 C TYR A 32 9.460 -1.536 14.626 1.00 0.00 C ATOM 540 O TYR A 32 9.207 -0.329 14.555 1.00 0.00 O ATOM 541 CB TYR A 32 10.032 -2.215 12.280 1.00 0.00 C ATOM 542 CG TYR A 32 9.725 -2.954 10.966 1.00 0.00 C ATOM 543 CD1 TYR A 32 10.170 -4.262 10.748 1.00 0.00 C ATOM 544 CD2 TYR A 32 9.021 -2.326 9.931 1.00 0.00 C ATOM 545 CE1 TYR A 32 9.921 -4.910 9.552 1.00 0.00 C ATOM 546 CE2 TYR A 32 8.770 -2.974 8.741 1.00 0.00 C ATOM 547 CZ TYR A 32 9.220 -4.262 8.557 1.00 0.00 C ATOM 548 OH TYR A 32 8.977 -4.901 7.362 1.00 0.00 O ATOM 0 H TYR A 32 7.511 -1.257 12.774 1.00 0.00 H new ATOM 0 HA TYR A 32 9.165 -3.514 13.777 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.036 -1.144 12.075 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.041 -2.483 12.593 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.717 -4.774 11.526 1.00 0.00 H new ATOM 0 HD2 TYR A 32 8.668 -1.315 10.068 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.274 -5.919 9.398 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.223 -2.474 7.956 1.00 0.00 H new ATOM 0 HH TYR A 32 8.470 -4.306 6.770 1.00 0.00 H new ATOM 558 N GLY A 33 10.111 -2.089 15.666 1.00 0.00 N ATOM 559 CA GLY A 33 10.518 -1.316 16.839 1.00 0.00 C ATOM 560 C GLY A 33 11.834 -0.568 16.637 1.00 0.00 C ATOM 561 O GLY A 33 12.105 -0.047 15.548 1.00 0.00 O ATOM 0 H GLY A 33 10.365 -3.076 15.711 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.734 -0.600 17.084 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.616 -1.987 17.693 1.00 0.00 H new ATOM 565 N SER A 34 12.648 -0.520 17.706 1.00 0.00 N ATOM 566 CA SER A 34 13.978 0.117 17.688 1.00 0.00 C ATOM 567 C SER A 34 14.959 -0.639 16.761 1.00 0.00 C ATOM 568 O SER A 34 15.886 -0.037 16.202 1.00 0.00 O ATOM 569 CB SER A 34 14.533 0.205 19.125 1.00 0.00 C ATOM 570 OG SER A 34 13.679 0.973 19.960 1.00 0.00 O ATOM 0 H SER A 34 12.402 -0.923 18.610 1.00 0.00 H new ATOM 0 HA SER A 34 13.871 1.125 17.286 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.643 -0.798 19.537 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.527 0.653 19.107 1.00 0.00 H new ATOM 0 HG SER A 34 14.054 1.011 20.865 1.00 0.00 H new ATOM 576 N THR A 35 14.696 -1.949 16.572 1.00 0.00 N ATOM 577 CA THR A 35 15.475 -2.835 15.681 1.00 0.00 C ATOM 578 C THR A 35 15.447 -2.348 14.211 1.00 0.00 C ATOM 579 O THR A 35 16.303 -2.736 13.409 1.00 0.00 O ATOM 580 CB THR A 35 14.943 -4.308 15.773 1.00 0.00 C ATOM 581 OG1 THR A 35 15.753 -5.198 14.975 1.00 0.00 O ATOM 582 CG2 THR A 35 13.462 -4.428 15.345 1.00 0.00 C ATOM 0 H THR A 35 13.926 -2.428 17.040 1.00 0.00 H new ATOM 0 HA THR A 35 16.511 -2.805 16.018 1.00 0.00 H new ATOM 0 HB THR A 35 15.011 -4.597 16.822 1.00 0.00 H new ATOM 0 HG1 THR A 35 15.405 -6.111 15.048 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.143 -5.467 15.427 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.844 -3.806 15.993 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.353 -4.095 14.313 1.00 0.00 H new ATOM 590 N GLU A 36 14.456 -1.498 13.879 1.00 0.00 N ATOM 591 CA GLU A 36 14.350 -0.851 12.567 1.00 0.00 C ATOM 592 C GLU A 36 15.392 0.277 12.467 1.00 0.00 C ATOM 593 O GLU A 36 16.322 0.173 11.660 1.00 0.00 O ATOM 594 CB GLU A 36 12.913 -0.277 12.362 1.00 0.00 C ATOM 595 CG GLU A 36 12.451 -0.126 10.891 1.00 0.00 C ATOM 596 CD GLU A 36 13.267 0.856 10.046 1.00 0.00 C ATOM 597 OE1 GLU A 36 12.976 2.058 10.094 1.00 0.00 O ATOM 598 OE2 GLU A 36 14.201 0.416 9.330 1.00 0.00 O ATOM 0 H GLU A 36 13.705 -1.243 14.520 1.00 0.00 H new ATOM 0 HA GLU A 36 14.541 -1.588 11.787 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.206 -0.925 12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.861 0.700 12.842 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.486 -1.106 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.409 0.194 10.886 1.00 0.00 H new ATOM 605 N ASP A 37 15.253 1.251 13.404 1.00 0.00 N ATOM 606 CA ASP A 37 15.779 2.648 13.334 1.00 0.00 C ATOM 607 C ASP A 37 16.800 2.895 12.196 1.00 0.00 C ATOM 608 O ASP A 37 18.006 2.684 12.370 1.00 0.00 O ATOM 609 CB ASP A 37 16.374 3.067 14.720 1.00 0.00 C ATOM 610 CG ASP A 37 15.368 3.078 15.893 1.00 0.00 C ATOM 611 OD1 ASP A 37 14.162 2.814 15.687 1.00 0.00 O ATOM 612 OD2 ASP A 37 15.784 3.352 17.041 1.00 0.00 O ATOM 0 H ASP A 37 14.747 1.079 14.273 1.00 0.00 H new ATOM 0 HA ASP A 37 14.925 3.279 13.089 1.00 0.00 H new ATOM 0 HB2 ASP A 37 17.189 2.387 14.968 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.807 4.063 14.625 1.00 0.00 H new ATOM 617 N THR A 38 16.292 3.313 11.028 1.00 0.00 N ATOM 618 CA THR A 38 17.091 3.566 9.822 1.00 0.00 C ATOM 619 C THR A 38 17.387 5.065 9.694 1.00 0.00 C ATOM 620 O THR A 38 16.575 5.892 10.086 1.00 0.00 O ATOM 621 CB THR A 38 16.339 3.063 8.540 1.00 0.00 C ATOM 622 OG1 THR A 38 17.185 3.201 7.383 1.00 0.00 O ATOM 623 CG2 THR A 38 15.006 3.803 8.295 1.00 0.00 C ATOM 0 H THR A 38 15.296 3.488 10.893 1.00 0.00 H new ATOM 0 HA THR A 38 18.029 3.018 9.912 1.00 0.00 H new ATOM 0 HB THR A 38 16.100 2.013 8.710 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.835 3.911 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.533 3.411 7.395 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.344 3.652 9.148 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.199 4.868 8.169 1.00 0.00 H new ATOM 631 N TRP A 39 18.556 5.420 9.156 1.00 0.00 N ATOM 632 CA TRP A 39 18.950 6.834 8.976 1.00 0.00 C ATOM 633 C TRP A 39 18.578 7.306 7.559 1.00 0.00 C ATOM 634 O TRP A 39 19.282 7.019 6.595 1.00 0.00 O ATOM 635 CB TRP A 39 20.461 7.044 9.304 1.00 0.00 C ATOM 636 CG TRP A 39 21.432 6.085 8.630 1.00 0.00 C ATOM 637 CD1 TRP A 39 22.152 6.302 7.484 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.786 4.763 9.075 1.00 0.00 C ATOM 639 NE1 TRP A 39 22.902 5.196 7.183 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.704 4.243 8.144 1.00 0.00 C ATOM 641 CE3 TRP A 39 21.410 3.971 10.170 1.00 0.00 C ATOM 642 CZ2 TRP A 39 23.255 2.970 8.271 1.00 0.00 C ATOM 643 CZ3 TRP A 39 21.957 2.706 10.293 1.00 0.00 C ATOM 644 CH2 TRP A 39 22.870 2.216 9.350 1.00 0.00 C ATOM 0 H TRP A 39 19.254 4.750 8.834 1.00 0.00 H new ATOM 0 HA TRP A 39 18.397 7.452 9.683 1.00 0.00 H new ATOM 0 HB2 TRP A 39 20.734 8.062 9.025 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.592 6.963 10.383 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.131 7.212 6.903 1.00 0.00 H new ATOM 0 HE1 TRP A 39 23.512 5.099 6.371 1.00 0.00 H new ATOM 0 HE3 TRP A 39 20.708 4.341 10.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 23.960 2.590 7.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 21.675 2.085 11.131 1.00 0.00 H new ATOM 0 HH2 TRP A 39 23.279 1.224 9.475 1.00 0.00 H new ATOM 655 N GLU A 40 17.429 7.984 7.443 1.00 0.00 N ATOM 656 CA GLU A 40 16.951 8.546 6.169 1.00 0.00 C ATOM 657 C GLU A 40 17.514 9.973 6.009 1.00 0.00 C ATOM 658 O GLU A 40 17.495 10.742 6.978 1.00 0.00 O ATOM 659 CB GLU A 40 15.394 8.568 6.132 1.00 0.00 C ATOM 660 CG GLU A 40 14.713 7.206 6.412 1.00 0.00 C ATOM 661 CD GLU A 40 15.058 6.108 5.391 1.00 0.00 C ATOM 662 OE1 GLU A 40 16.108 5.435 5.543 1.00 0.00 O ATOM 663 OE2 GLU A 40 14.284 5.907 4.427 1.00 0.00 O ATOM 0 H GLU A 40 16.803 8.160 8.229 1.00 0.00 H new ATOM 0 HA GLU A 40 17.297 7.923 5.344 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.038 9.292 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.074 8.923 5.152 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.001 6.866 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.632 7.348 6.425 1.00 0.00 H new ATOM 670 N PRO A 41 18.030 10.354 4.798 1.00 0.00 N ATOM 671 CA PRO A 41 18.520 11.726 4.550 1.00 0.00 C ATOM 672 C PRO A 41 17.335 12.705 4.495 1.00 0.00 C ATOM 673 O PRO A 41 16.259 12.324 4.041 1.00 0.00 O ATOM 674 CB PRO A 41 19.249 11.610 3.186 1.00 0.00 C ATOM 675 CG PRO A 41 18.548 10.480 2.484 1.00 0.00 C ATOM 676 CD PRO A 41 18.140 9.503 3.576 1.00 0.00 C ATOM 0 HA PRO A 41 19.179 12.108 5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.178 12.537 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.310 11.398 3.319 1.00 0.00 H new ATOM 0 HG2 PRO A 41 17.677 10.840 1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 41 19.206 10.002 1.758 1.00 0.00 H new ATOM 0 HD2 PRO A 41 17.194 9.015 3.342 1.00 0.00 H new ATOM 0 HD3 PRO A 41 18.882 8.715 3.704 1.00 0.00 H new ATOM 684 N GLU A 42 17.551 13.944 4.953 1.00 0.00 N ATOM 685 CA GLU A 42 16.497 14.985 5.028 1.00 0.00 C ATOM 686 C GLU A 42 15.858 15.222 3.644 1.00 0.00 C ATOM 687 O GLU A 42 14.636 15.312 3.512 1.00 0.00 O ATOM 688 CB GLU A 42 17.111 16.284 5.619 1.00 0.00 C ATOM 689 CG GLU A 42 16.149 17.462 5.925 1.00 0.00 C ATOM 690 CD GLU A 42 15.722 18.270 4.688 1.00 0.00 C ATOM 691 OE1 GLU A 42 16.612 18.779 3.970 1.00 0.00 O ATOM 692 OE2 GLU A 42 14.514 18.377 4.413 1.00 0.00 O ATOM 0 H GLU A 42 18.461 14.262 5.285 1.00 0.00 H new ATOM 0 HA GLU A 42 15.695 14.651 5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.625 16.022 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.870 16.643 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.257 17.070 6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 42 16.631 18.134 6.635 1.00 0.00 H new ATOM 699 N HIS A 43 16.701 15.238 2.611 1.00 0.00 N ATOM 700 CA HIS A 43 16.271 15.523 1.227 1.00 0.00 C ATOM 701 C HIS A 43 15.377 14.398 0.655 1.00 0.00 C ATOM 702 O HIS A 43 14.802 14.558 -0.425 1.00 0.00 O ATOM 703 CB HIS A 43 17.510 15.752 0.326 1.00 0.00 C ATOM 704 CG HIS A 43 18.482 16.767 0.876 1.00 0.00 C ATOM 705 ND1 HIS A 43 18.089 17.966 1.434 1.00 0.00 N ATOM 706 CD2 HIS A 43 19.832 16.734 0.992 1.00 0.00 C ATOM 707 CE1 HIS A 43 19.148 18.621 1.860 1.00 0.00 C ATOM 708 NE2 HIS A 43 20.219 17.898 1.605 1.00 0.00 N ATOM 0 H HIS A 43 17.700 15.055 2.702 1.00 0.00 H new ATOM 0 HA HIS A 43 15.668 16.431 1.244 1.00 0.00 H new ATOM 0 HB2 HIS A 43 18.028 14.803 0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 43 17.176 16.078 -0.659 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.483 15.938 0.662 1.00 0.00 H new ATOM 0 HE1 HIS A 43 19.140 19.589 2.339 1.00 0.00 H new ATOM 0 HE2 HIS A 43 21.179 18.161 1.827 1.00 0.00 H new ATOM 717 N HIS A 44 15.281 13.255 1.374 1.00 0.00 N ATOM 718 CA HIS A 44 14.451 12.104 0.968 1.00 0.00 C ATOM 719 C HIS A 44 13.677 11.477 2.153 1.00 0.00 C ATOM 720 O HIS A 44 13.117 10.392 1.974 1.00 0.00 O ATOM 721 CB HIS A 44 15.329 11.005 0.301 1.00 0.00 C ATOM 722 CG HIS A 44 16.008 11.413 -0.982 1.00 0.00 C ATOM 723 ND1 HIS A 44 15.362 11.457 -2.196 1.00 0.00 N ATOM 724 CD2 HIS A 44 17.282 11.796 -1.224 1.00 0.00 C ATOM 725 CE1 HIS A 44 16.208 11.838 -3.131 1.00 0.00 C ATOM 726 NE2 HIS A 44 17.380 12.054 -2.568 1.00 0.00 N ATOM 0 H HIS A 44 15.779 13.108 2.252 1.00 0.00 H new ATOM 0 HA HIS A 44 13.722 12.490 0.255 1.00 0.00 H new ATOM 0 HB2 HIS A 44 16.092 10.691 1.013 1.00 0.00 H new ATOM 0 HB3 HIS A 44 14.703 10.135 0.101 1.00 0.00 H new ATOM 0 HD2 HIS A 44 18.074 11.883 -0.495 1.00 0.00 H new ATOM 0 HE1 HIS A 44 15.980 11.954 -4.180 1.00 0.00 H new ATOM 0 HE2 HIS A 44 18.223 12.363 -3.053 1.00 0.00 H new ATOM 735 N LEU A 45 13.634 12.122 3.362 1.00 0.00 N ATOM 736 CA LEU A 45 12.996 11.463 4.545 1.00 0.00 C ATOM 737 C LEU A 45 11.467 11.456 4.388 1.00 0.00 C ATOM 738 O LEU A 45 10.831 10.429 4.585 1.00 0.00 O ATOM 739 CB LEU A 45 13.425 12.071 5.939 1.00 0.00 C ATOM 740 CG LEU A 45 12.569 13.256 6.537 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.758 13.396 8.052 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.856 14.595 5.841 1.00 0.00 C ATOM 0 H LEU A 45 14.014 13.052 3.538 1.00 0.00 H new ATOM 0 HA LEU A 45 13.367 10.438 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.426 11.261 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.454 12.418 5.847 1.00 0.00 H new ATOM 0 HG LEU A 45 11.528 12.996 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.151 14.223 8.420 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.450 12.473 8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.808 13.591 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.242 15.377 6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.910 14.848 5.959 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.620 14.512 4.780 1.00 0.00 H new ATOM 754 N LEU A 46 10.915 12.621 4.039 1.00 0.00 N ATOM 755 CA LEU A 46 9.483 12.858 3.770 1.00 0.00 C ATOM 756 C LEU A 46 9.392 14.110 2.883 1.00 0.00 C ATOM 757 O LEU A 46 10.292 14.960 2.916 1.00 0.00 O ATOM 758 CB LEU A 46 8.618 13.086 5.070 1.00 0.00 C ATOM 759 CG LEU A 46 8.134 11.833 5.898 1.00 0.00 C ATOM 760 CD1 LEU A 46 7.666 10.666 4.997 1.00 0.00 C ATOM 761 CD2 LEU A 46 9.156 11.378 6.977 1.00 0.00 C ATOM 0 H LEU A 46 11.474 13.467 3.930 1.00 0.00 H new ATOM 0 HA LEU A 46 9.078 11.967 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.195 13.721 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.732 13.651 4.780 1.00 0.00 H new ATOM 0 HG LEU A 46 7.254 12.169 6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.344 9.832 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.834 10.997 4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.490 10.346 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.762 10.513 7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.097 11.110 6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.327 12.191 7.682 1.00 0.00 H new ATOM 773 N HIS A 47 8.306 14.228 2.100 1.00 0.00 N ATOM 774 CA HIS A 47 8.030 15.444 1.300 1.00 0.00 C ATOM 775 C HIS A 47 7.321 16.521 2.155 1.00 0.00 C ATOM 776 O HIS A 47 7.167 17.664 1.722 1.00 0.00 O ATOM 777 CB HIS A 47 7.202 15.103 0.030 1.00 0.00 C ATOM 778 CG HIS A 47 5.827 14.533 0.280 1.00 0.00 C ATOM 779 ND1 HIS A 47 5.577 13.182 0.380 1.00 0.00 N ATOM 780 CD2 HIS A 47 4.628 15.141 0.441 1.00 0.00 C ATOM 781 CE1 HIS A 47 4.295 12.986 0.598 1.00 0.00 C ATOM 782 NE2 HIS A 47 3.699 14.156 0.638 1.00 0.00 N ATOM 0 H HIS A 47 7.601 13.497 2.001 1.00 0.00 H new ATOM 0 HA HIS A 47 8.986 15.853 0.973 1.00 0.00 H new ATOM 0 HB2 HIS A 47 7.097 16.009 -0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 47 7.768 14.390 -0.570 1.00 0.00 H new ATOM 0 HD2 HIS A 47 4.440 16.204 0.418 1.00 0.00 H new ATOM 0 HE1 HIS A 47 3.814 12.027 0.723 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.702 14.306 0.792 1.00 0.00 H new ATOM 791 N CYS A 48 6.896 16.134 3.371 1.00 0.00 N ATOM 792 CA CYS A 48 6.162 16.994 4.300 1.00 0.00 C ATOM 793 C CYS A 48 6.973 17.201 5.588 1.00 0.00 C ATOM 794 O CYS A 48 7.432 16.229 6.204 1.00 0.00 O ATOM 795 CB CYS A 48 4.810 16.338 4.629 1.00 0.00 C ATOM 796 SG CYS A 48 3.684 16.213 3.232 1.00 0.00 S ATOM 0 H CYS A 48 7.059 15.196 3.737 1.00 0.00 H new ATOM 0 HA CYS A 48 5.995 17.967 3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.992 15.338 5.024 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.326 16.910 5.420 1.00 0.00 H new ATOM 0 HG CYS A 48 2.457 16.290 3.655 1.00 0.00 H new ATOM 802 N GLU A 49 7.107 18.475 5.995 1.00 0.00 N ATOM 803 CA GLU A 49 7.771 18.882 7.249 1.00 0.00 C ATOM 804 C GLU A 49 6.917 18.490 8.489 1.00 0.00 C ATOM 805 O GLU A 49 7.388 18.594 9.612 1.00 0.00 O ATOM 806 CB GLU A 49 8.050 20.416 7.232 1.00 0.00 C ATOM 807 CG GLU A 49 8.920 20.939 8.407 1.00 0.00 C ATOM 808 CD GLU A 49 9.073 22.473 8.440 1.00 0.00 C ATOM 809 OE1 GLU A 49 8.130 23.167 8.900 1.00 0.00 O ATOM 810 OE2 GLU A 49 10.122 22.998 8.005 1.00 0.00 O ATOM 0 H GLU A 49 6.752 19.264 5.455 1.00 0.00 H new ATOM 0 HA GLU A 49 8.721 18.353 7.322 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.543 20.670 6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.096 20.943 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.479 20.608 9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.910 20.487 8.342 1.00 0.00 H new ATOM 817 N GLU A 50 5.659 18.054 8.255 1.00 0.00 N ATOM 818 CA GLU A 50 4.698 17.631 9.312 1.00 0.00 C ATOM 819 C GLU A 50 5.337 16.627 10.287 1.00 0.00 C ATOM 820 O GLU A 50 5.276 16.785 11.505 1.00 0.00 O ATOM 821 CB GLU A 50 3.447 16.974 8.662 1.00 0.00 C ATOM 822 CG GLU A 50 2.864 17.767 7.485 1.00 0.00 C ATOM 823 CD GLU A 50 1.602 17.127 6.882 1.00 0.00 C ATOM 824 OE1 GLU A 50 0.554 17.141 7.553 1.00 0.00 O ATOM 825 OE2 GLU A 50 1.654 16.599 5.747 1.00 0.00 O ATOM 0 H GLU A 50 5.272 17.983 7.314 1.00 0.00 H new ATOM 0 HA GLU A 50 4.409 18.523 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.712 15.975 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.676 16.854 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.626 18.777 7.819 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.622 17.859 6.708 1.00 0.00 H new ATOM 832 N PHE A 51 5.997 15.627 9.707 1.00 0.00 N ATOM 833 CA PHE A 51 6.663 14.541 10.449 1.00 0.00 C ATOM 834 C PHE A 51 7.861 15.092 11.252 1.00 0.00 C ATOM 835 O PHE A 51 8.098 14.692 12.395 1.00 0.00 O ATOM 836 CB PHE A 51 7.114 13.436 9.463 1.00 0.00 C ATOM 837 CG PHE A 51 5.965 12.823 8.648 1.00 0.00 C ATOM 838 CD1 PHE A 51 5.386 13.521 7.585 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.473 11.550 8.934 1.00 0.00 C ATOM 840 CE1 PHE A 51 4.360 12.973 6.844 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.444 11.001 8.189 1.00 0.00 C ATOM 842 CZ PHE A 51 3.888 11.711 7.146 1.00 0.00 C ATOM 0 H PHE A 51 6.090 15.540 8.695 1.00 0.00 H new ATOM 0 HA PHE A 51 5.959 14.107 11.158 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.851 13.854 8.777 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.612 12.644 10.023 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.749 14.508 7.339 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.901 10.984 9.748 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.926 13.531 6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.075 10.014 8.425 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.085 11.281 6.566 1.00 0.00 H new ATOM 852 N ILE A 52 8.562 16.069 10.651 1.00 0.00 N ATOM 853 CA ILE A 52 9.701 16.771 11.280 1.00 0.00 C ATOM 854 C ILE A 52 9.179 17.628 12.458 1.00 0.00 C ATOM 855 O ILE A 52 9.823 17.737 13.505 1.00 0.00 O ATOM 856 CB ILE A 52 10.488 17.659 10.225 1.00 0.00 C ATOM 857 CG1 ILE A 52 11.171 16.777 9.115 1.00 0.00 C ATOM 858 CG2 ILE A 52 11.538 18.565 10.905 1.00 0.00 C ATOM 859 CD1 ILE A 52 10.236 16.126 8.109 1.00 0.00 C ATOM 0 H ILE A 52 8.355 16.398 9.708 1.00 0.00 H new ATOM 0 HA ILE A 52 10.408 16.034 11.660 1.00 0.00 H new ATOM 0 HB ILE A 52 9.747 18.299 9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.881 17.400 8.571 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.747 15.992 9.606 1.00 0.00 H new ATOM 0 HG21 ILE A 52 12.054 19.156 10.148 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.041 19.232 11.610 1.00 0.00 H new ATOM 0 HG23 ILE A 52 12.261 17.947 11.438 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.818 15.545 7.394 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.541 15.468 8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.677 16.898 7.579 1.00 0.00 H new ATOM 871 N ASP A 53 7.949 18.141 12.302 1.00 0.00 N ATOM 872 CA ASP A 53 7.255 18.907 13.349 1.00 0.00 C ATOM 873 C ASP A 53 6.925 17.965 14.513 1.00 0.00 C ATOM 874 O ASP A 53 7.143 18.317 15.678 1.00 0.00 O ATOM 875 CB ASP A 53 5.970 19.569 12.775 1.00 0.00 C ATOM 876 CG ASP A 53 5.142 20.330 13.827 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.517 21.472 14.166 1.00 0.00 O ATOM 878 OD2 ASP A 53 4.116 19.792 14.318 1.00 0.00 O ATOM 0 H ASP A 53 7.406 18.036 11.445 1.00 0.00 H new ATOM 0 HA ASP A 53 7.899 19.708 13.712 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.252 20.259 11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.346 18.798 12.323 1.00 0.00 H new ATOM 883 N GLU A 54 6.518 16.717 14.162 1.00 0.00 N ATOM 884 CA GLU A 54 6.209 15.662 15.141 1.00 0.00 C ATOM 885 C GLU A 54 7.463 15.335 15.951 1.00 0.00 C ATOM 886 O GLU A 54 7.376 15.132 17.164 1.00 0.00 O ATOM 887 CB GLU A 54 5.664 14.390 14.435 1.00 0.00 C ATOM 888 CG GLU A 54 5.615 13.121 15.310 1.00 0.00 C ATOM 889 CD GLU A 54 4.954 11.929 14.604 1.00 0.00 C ATOM 890 OE1 GLU A 54 5.658 11.174 13.896 1.00 0.00 O ATOM 891 OE2 GLU A 54 3.714 11.752 14.732 1.00 0.00 O ATOM 0 H GLU A 54 6.398 16.423 13.193 1.00 0.00 H new ATOM 0 HA GLU A 54 5.432 16.023 15.815 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.658 14.599 14.071 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.283 14.186 13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.629 12.847 15.600 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.069 13.340 16.228 1.00 0.00 H new ATOM 898 N PHE A 55 8.632 15.389 15.265 1.00 0.00 N ATOM 899 CA PHE A 55 9.933 15.134 15.879 1.00 0.00 C ATOM 900 C PHE A 55 10.170 16.140 17.013 1.00 0.00 C ATOM 901 O PHE A 55 10.497 15.739 18.131 1.00 0.00 O ATOM 902 CB PHE A 55 11.054 15.203 14.811 1.00 0.00 C ATOM 903 CG PHE A 55 12.469 15.229 15.371 1.00 0.00 C ATOM 904 CD1 PHE A 55 12.933 14.199 16.176 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.329 16.291 15.095 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.201 14.230 16.693 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.602 16.317 15.613 1.00 0.00 C ATOM 908 CZ PHE A 55 15.038 15.283 16.413 1.00 0.00 C ATOM 0 H PHE A 55 8.685 15.612 14.271 1.00 0.00 H new ATOM 0 HA PHE A 55 9.948 14.130 16.304 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.957 14.344 14.147 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.903 16.095 14.203 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.287 13.363 16.398 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.991 17.102 14.467 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.544 13.423 17.324 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.259 17.146 15.394 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.038 15.300 16.820 1.00 0.00 H new ATOM 918 N ASN A 56 9.901 17.432 16.742 1.00 0.00 N ATOM 919 CA ASN A 56 10.073 18.498 17.746 1.00 0.00 C ATOM 920 C ASN A 56 9.096 18.274 18.926 1.00 0.00 C ATOM 921 O ASN A 56 9.427 18.552 20.074 1.00 0.00 O ATOM 922 CB ASN A 56 9.863 19.891 17.109 1.00 0.00 C ATOM 923 CG ASN A 56 10.116 21.049 18.083 1.00 0.00 C ATOM 924 OD1 ASN A 56 11.230 21.551 18.193 1.00 0.00 O ATOM 925 ND2 ASN A 56 9.088 21.470 18.805 1.00 0.00 N ATOM 0 H ASN A 56 9.564 17.762 15.837 1.00 0.00 H new ATOM 0 HA ASN A 56 11.093 18.460 18.128 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.528 19.995 16.252 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.843 19.960 16.731 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.212 22.230 19.473 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.173 21.034 18.692 1.00 0.00 H new ATOM 932 N GLY A 57 7.917 17.704 18.622 1.00 0.00 N ATOM 933 CA GLY A 57 6.920 17.397 19.643 1.00 0.00 C ATOM 934 C GLY A 57 7.352 16.269 20.577 1.00 0.00 C ATOM 935 O GLY A 57 7.121 16.343 21.790 1.00 0.00 O ATOM 0 H GLY A 57 7.638 17.449 17.675 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.722 18.293 20.231 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.984 17.121 19.158 1.00 0.00 H new ATOM 939 N LEU A 58 7.996 15.220 20.021 1.00 0.00 N ATOM 940 CA LEU A 58 8.329 13.994 20.789 1.00 0.00 C ATOM 941 C LEU A 58 9.747 14.039 21.403 1.00 0.00 C ATOM 942 O LEU A 58 10.049 13.265 22.318 1.00 0.00 O ATOM 943 CB LEU A 58 8.093 12.707 19.916 1.00 0.00 C ATOM 944 CG LEU A 58 8.770 12.618 18.494 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.291 12.397 18.551 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.107 11.529 17.621 1.00 0.00 C ATOM 0 H LEU A 58 8.296 15.195 19.046 1.00 0.00 H new ATOM 0 HA LEU A 58 7.647 13.948 21.638 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.430 11.848 20.496 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.018 12.595 19.777 1.00 0.00 H new ATOM 0 HG LEU A 58 8.609 13.593 18.034 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.689 12.346 17.538 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.759 13.225 19.084 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.504 11.464 19.072 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.597 11.494 16.648 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.204 10.560 18.111 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.051 11.763 17.487 1.00 0.00 H new ATOM 958 N HIS A 59 10.614 14.941 20.900 1.00 0.00 N ATOM 959 CA HIS A 59 12.058 14.963 21.249 1.00 0.00 C ATOM 960 C HIS A 59 12.420 16.177 22.123 1.00 0.00 C ATOM 961 O HIS A 59 13.346 16.097 22.939 1.00 0.00 O ATOM 962 CB HIS A 59 12.899 14.957 19.955 1.00 0.00 C ATOM 963 CG HIS A 59 14.386 14.827 20.160 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.255 15.885 20.046 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.151 13.747 20.446 1.00 0.00 C ATOM 966 CE1 HIS A 59 16.485 15.465 20.245 1.00 0.00 C ATOM 967 NE2 HIS A 59 16.453 14.171 20.490 1.00 0.00 N ATOM 0 H HIS A 59 10.340 15.672 20.244 1.00 0.00 H new ATOM 0 HA HIS A 59 12.280 14.071 21.835 1.00 0.00 H new ATOM 0 HB2 HIS A 59 12.561 14.134 19.325 1.00 0.00 H new ATOM 0 HB3 HIS A 59 12.702 15.879 19.408 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.800 12.739 20.609 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.373 16.078 20.213 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.264 13.582 20.681 1.00 0.00 H new