USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 444 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 Single : A 8 ASN :FLIP amide:sc= 0.386 F(o=-1.3!,f=0.39) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= -0.051 (180deg=-0.291) USER MOD Single : A 19 GLN : amide:sc= -0.082 K(o=-0.082,f=-1.9!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 26 MET CE :methyl 177:sc= -1.56 (180deg=-1.62) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc=-0.000105 (180deg=-0.117) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 60 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 2.295 -10.380 -2.697 1.00 0.00 N ATOM 67 CA ASN A 8 3.132 -9.620 -1.775 1.00 0.00 C ATOM 68 C ASN A 8 2.287 -8.675 -0.927 1.00 0.00 C ATOM 69 O ASN A 8 1.569 -7.824 -1.453 1.00 0.00 O ATOM 70 CB ASN A 8 4.187 -8.826 -2.547 1.00 0.00 C ATOM 71 CG ASN A 8 4.918 -9.676 -3.569 1.00 0.00 C ATOM 72 OD1 ASN A 8 6.131 -9.267 -3.919 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 4.396 -10.688 -4.037 1.00 0.00 N flip ATOM 0 HA ASN A 8 3.632 -10.326 -1.112 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.709 -7.987 -3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.908 -8.407 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.461 -10.964 -3.738 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.899 -11.250 -4.724 1.00 0.00 H new ATOM 80 N THR A 9 2.378 -8.829 0.391 1.00 0.00 N ATOM 81 CA THR A 9 1.622 -7.990 1.312 1.00 0.00 C ATOM 82 C THR A 9 2.504 -6.901 1.914 1.00 0.00 C ATOM 83 O THR A 9 3.692 -7.113 2.154 1.00 0.00 O ATOM 84 CB THR A 9 1.005 -8.822 2.452 1.00 0.00 C ATOM 85 OG1 THR A 9 0.430 -10.023 1.926 1.00 0.00 O ATOM 86 CG2 THR A 9 -0.061 -8.024 3.189 1.00 0.00 C ATOM 0 H THR A 9 2.968 -9.527 0.844 1.00 0.00 H new ATOM 0 HA THR A 9 0.822 -7.528 0.734 1.00 0.00 H new ATOM 0 HB THR A 9 1.797 -9.077 3.156 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.041 -10.547 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.482 -8.632 3.989 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.386 -7.125 3.613 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.851 -7.743 2.493 1.00 0.00 H new ATOM 94 N TYR A 10 1.914 -5.735 2.155 1.00 0.00 N ATOM 95 CA TYR A 10 2.647 -4.612 2.727 1.00 0.00 C ATOM 96 C TYR A 10 1.849 -3.957 3.850 1.00 0.00 C ATOM 97 O TYR A 10 0.621 -4.031 3.881 1.00 0.00 O ATOM 98 CB TYR A 10 2.966 -3.580 1.644 1.00 0.00 C ATOM 99 CG TYR A 10 4.058 -4.018 0.694 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.865 -5.088 -0.171 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.281 -3.360 0.660 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.860 -5.491 -1.041 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.281 -3.756 -0.207 1.00 0.00 C ATOM 104 CZ TYR A 10 6.066 -4.822 -1.055 1.00 0.00 C ATOM 105 OH TYR A 10 7.059 -5.220 -1.921 1.00 0.00 O ATOM 0 H TYR A 10 0.931 -5.543 1.963 1.00 0.00 H new ATOM 0 HA TYR A 10 3.580 -4.993 3.143 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.061 -3.373 1.073 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.263 -2.646 2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.922 -5.614 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.453 -2.525 1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.694 -6.325 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.226 -3.234 -0.221 1.00 0.00 H new ATOM 0 HH TYR A 10 7.844 -4.644 -1.806 1.00 0.00 H new ATOM 115 N VAL A 11 2.558 -3.314 4.773 1.00 0.00 N ATOM 116 CA VAL A 11 1.918 -2.643 5.899 1.00 0.00 C ATOM 117 C VAL A 11 2.271 -1.160 5.927 1.00 0.00 C ATOM 118 O VAL A 11 3.440 -0.788 5.836 1.00 0.00 O ATOM 119 CB VAL A 11 2.327 -3.283 7.239 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.837 -3.230 7.418 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.620 -2.592 8.396 1.00 0.00 C ATOM 0 H VAL A 11 3.576 -3.244 4.763 1.00 0.00 H new ATOM 0 HA VAL A 11 0.842 -2.755 5.765 1.00 0.00 H new ATOM 0 HB VAL A 11 2.023 -4.330 7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.107 -3.687 8.370 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.319 -3.773 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.168 -2.192 7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.920 -3.056 9.335 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.891 -1.536 8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.541 -2.688 8.272 1.00 0.00 H new ATOM 131 N ALA A 12 1.251 -0.318 6.055 1.00 0.00 N ATOM 132 CA ALA A 12 1.453 1.125 6.098 1.00 0.00 C ATOM 133 C ALA A 12 2.216 1.535 7.353 1.00 0.00 C ATOM 134 O ALA A 12 1.908 1.080 8.456 1.00 0.00 O ATOM 135 CB ALA A 12 0.115 1.847 6.032 1.00 0.00 C ATOM 0 H ALA A 12 0.277 -0.610 6.131 1.00 0.00 H new ATOM 0 HA ALA A 12 2.050 1.410 5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.281 2.924 6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.394 1.586 5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.502 1.549 6.880 1.00 0.00 H new ATOM 141 N LEU A 13 3.212 2.396 7.179 1.00 0.00 N ATOM 142 CA LEU A 13 4.020 2.868 8.298 1.00 0.00 C ATOM 143 C LEU A 13 3.449 4.159 8.877 1.00 0.00 C ATOM 144 O LEU A 13 3.661 4.473 10.048 1.00 0.00 O ATOM 145 CB LEU A 13 5.466 3.092 7.851 1.00 0.00 C ATOM 146 CG LEU A 13 6.124 1.932 7.103 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.344 2.416 6.334 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.508 0.823 8.072 1.00 0.00 C ATOM 0 H LEU A 13 3.480 2.782 6.274 1.00 0.00 H new ATOM 0 HA LEU A 13 4.001 2.104 9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.495 3.974 7.211 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.067 3.318 8.732 1.00 0.00 H new ATOM 0 HG LEU A 13 5.405 1.531 6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.799 1.577 5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.042 3.175 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.067 2.843 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.975 0.005 7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.210 1.212 8.810 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.615 0.457 8.578 1.00 0.00 H new ATOM 160 N TYR A 14 2.723 4.901 8.049 1.00 0.00 N ATOM 161 CA TYR A 14 2.121 6.158 8.478 1.00 0.00 C ATOM 162 C TYR A 14 0.801 6.405 7.754 1.00 0.00 C ATOM 163 O TYR A 14 0.550 5.845 6.687 1.00 0.00 O ATOM 164 CB TYR A 14 3.081 7.321 8.222 1.00 0.00 C ATOM 165 CG TYR A 14 4.540 6.937 8.329 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.211 7.011 9.543 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.246 6.499 7.215 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.544 6.661 9.645 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.579 6.146 7.308 1.00 0.00 C ATOM 170 CZ TYR A 14 7.223 6.229 8.525 1.00 0.00 C ATOM 171 OH TYR A 14 8.550 5.879 8.623 1.00 0.00 O ATOM 0 H TYR A 14 2.537 4.654 7.077 1.00 0.00 H new ATOM 0 HA TYR A 14 1.921 6.089 9.547 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.892 7.725 7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.871 8.118 8.935 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.682 7.348 10.422 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.745 6.433 6.261 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.051 6.725 10.596 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.113 5.807 6.433 1.00 0.00 H new ATOM 0 HH TYR A 14 8.879 5.596 7.745 1.00 0.00 H new ATOM 181 N LYS A 15 -0.040 7.249 8.342 1.00 0.00 N ATOM 182 CA LYS A 15 -1.334 7.574 7.755 1.00 0.00 C ATOM 183 C LYS A 15 -1.168 8.485 6.543 1.00 0.00 C ATOM 184 O LYS A 15 -0.694 9.615 6.663 1.00 0.00 O ATOM 185 CB LYS A 15 -2.233 8.248 8.794 1.00 0.00 C ATOM 186 CG LYS A 15 -3.412 8.990 8.187 1.00 0.00 C ATOM 187 CD LYS A 15 -4.142 9.823 9.228 1.00 0.00 C ATOM 188 CE LYS A 15 -4.979 10.915 8.581 1.00 0.00 C ATOM 189 NZ LYS A 15 -4.204 12.173 8.399 1.00 0.00 N ATOM 0 H LYS A 15 0.152 7.721 9.226 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.801 6.645 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.607 7.492 9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.636 8.947 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.061 9.637 7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.103 8.274 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.784 9.177 9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.419 10.272 9.908 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.342 10.569 7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.855 11.114 9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.740 12.827 7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.039 12.616 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.291 11.956 7.951 1.00 0.00 H new ATOM 203 N PHE A 16 -1.563 7.986 5.376 1.00 0.00 N ATOM 204 CA PHE A 16 -1.459 8.756 4.141 1.00 0.00 C ATOM 205 C PHE A 16 -2.700 9.618 3.931 1.00 0.00 C ATOM 206 O PHE A 16 -3.808 9.232 4.301 1.00 0.00 O ATOM 207 CB PHE A 16 -1.267 7.819 2.946 1.00 0.00 C ATOM 208 CG PHE A 16 -0.974 8.540 1.661 1.00 0.00 C ATOM 209 CD1 PHE A 16 -2.005 8.944 0.829 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.331 8.813 1.286 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.739 9.606 -0.355 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.604 9.475 0.104 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.433 9.873 -0.717 1.00 0.00 C ATOM 0 H PHE A 16 -1.958 7.053 5.259 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.592 9.412 4.223 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.450 7.131 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.166 7.216 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.028 8.740 1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.145 8.505 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.551 9.914 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.626 9.681 -0.177 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.223 10.392 -1.640 1.00 0.00 H new ATOM 223 N VAL A 17 -2.504 10.791 3.335 1.00 0.00 N ATOM 224 CA VAL A 17 -3.606 11.709 3.075 1.00 0.00 C ATOM 225 C VAL A 17 -3.707 12.040 1.590 1.00 0.00 C ATOM 226 O VAL A 17 -3.021 12.924 1.078 1.00 0.00 O ATOM 227 CB VAL A 17 -3.446 13.018 3.872 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.566 13.990 3.532 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.413 12.731 5.365 1.00 0.00 C ATOM 0 H VAL A 17 -1.593 11.127 3.024 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.519 11.207 3.395 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.499 13.480 3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.437 14.909 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.538 14.219 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.527 13.540 3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.300 13.666 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.343 12.246 5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.573 12.074 5.591 1.00 0.00 H new ATOM 239 N PRO A 18 -4.584 11.314 0.881 1.00 0.00 N ATOM 240 CA PRO A 18 -4.797 11.512 -0.556 1.00 0.00 C ATOM 241 C PRO A 18 -5.494 12.834 -0.861 1.00 0.00 C ATOM 242 O PRO A 18 -6.654 13.031 -0.499 1.00 0.00 O ATOM 243 CB PRO A 18 -5.690 10.333 -0.948 1.00 0.00 C ATOM 244 CG PRO A 18 -6.399 9.960 0.308 1.00 0.00 C ATOM 245 CD PRO A 18 -5.436 10.243 1.427 1.00 0.00 C ATOM 0 HA PRO A 18 -3.857 11.553 -1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.394 10.613 -1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.100 9.500 -1.332 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.315 10.539 0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.686 8.908 0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.954 10.563 2.331 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.853 9.360 1.689 1.00 0.00 H new ATOM 253 N GLN A 19 -4.780 13.734 -1.529 1.00 0.00 N ATOM 254 CA GLN A 19 -5.332 15.036 -1.883 1.00 0.00 C ATOM 255 C GLN A 19 -6.386 14.902 -2.977 1.00 0.00 C ATOM 256 O GLN A 19 -7.270 15.748 -3.106 1.00 0.00 O ATOM 257 CB GLN A 19 -4.218 15.978 -2.344 1.00 0.00 C ATOM 258 CG GLN A 19 -3.579 16.765 -1.211 1.00 0.00 C ATOM 259 CD GLN A 19 -4.330 18.044 -0.894 1.00 0.00 C ATOM 260 OE1 GLN A 19 -5.280 18.408 -1.587 1.00 0.00 O ATOM 261 NE2 GLN A 19 -3.907 18.733 0.159 1.00 0.00 N ATOM 0 H GLN A 19 -3.819 13.586 -1.836 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.807 15.454 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.448 15.396 -2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.624 16.676 -3.076 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.538 16.141 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.550 17.008 -1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.115 18.394 0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.374 19.601 0.421 1.00 0.00 H new ATOM 270 N GLU A 20 -6.284 13.835 -3.763 1.00 0.00 N ATOM 271 CA GLU A 20 -7.228 13.592 -4.847 1.00 0.00 C ATOM 272 C GLU A 20 -7.631 12.121 -4.898 1.00 0.00 C ATOM 273 O GLU A 20 -6.891 11.248 -4.446 1.00 0.00 O ATOM 274 CB GLU A 20 -6.621 14.013 -6.186 1.00 0.00 C ATOM 275 CG GLU A 20 -6.390 15.510 -6.306 1.00 0.00 C ATOM 276 CD GLU A 20 -6.219 15.961 -7.743 1.00 0.00 C ATOM 277 OE1 GLU A 20 -5.147 15.695 -8.326 1.00 0.00 O ATOM 278 OE2 GLU A 20 -7.158 16.581 -8.286 1.00 0.00 O ATOM 0 H GLU A 20 -5.557 13.125 -3.669 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.120 14.189 -4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.672 13.495 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.280 13.690 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.232 16.040 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.503 15.784 -5.735 1.00 0.00 H new ATOM 285 N ASN A 21 -8.809 11.855 -5.452 1.00 0.00 N ATOM 286 CA ASN A 21 -9.311 10.490 -5.563 1.00 0.00 C ATOM 287 C ASN A 21 -8.209 9.540 -6.022 1.00 0.00 C ATOM 288 O ASN A 21 -7.950 8.521 -5.384 1.00 0.00 O ATOM 289 CB ASN A 21 -10.487 10.435 -6.540 1.00 0.00 C ATOM 290 CG ASN A 21 -11.735 11.092 -5.981 1.00 0.00 C ATOM 291 OD1 ASN A 21 -12.252 10.684 -4.941 1.00 0.00 O ATOM 292 ND2 ASN A 21 -12.225 12.115 -6.672 1.00 0.00 N ATOM 0 H ASN A 21 -9.434 12.566 -5.831 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.651 10.173 -4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.206 10.928 -7.471 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.705 9.395 -6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.063 12.596 -6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.763 12.419 -7.529 1.00 0.00 H new ATOM 299 N GLU A 22 -7.564 9.884 -7.132 1.00 0.00 N ATOM 300 CA GLU A 22 -6.490 9.062 -7.676 1.00 0.00 C ATOM 301 C GLU A 22 -5.629 8.480 -6.557 1.00 0.00 C ATOM 302 O GLU A 22 -5.227 7.318 -6.609 1.00 0.00 O ATOM 303 CB GLU A 22 -5.619 9.884 -8.628 1.00 0.00 C ATOM 304 CG GLU A 22 -6.411 10.605 -9.707 1.00 0.00 C ATOM 305 CD GLU A 22 -5.547 11.027 -10.880 1.00 0.00 C ATOM 306 OE1 GLU A 22 -4.725 10.207 -11.338 1.00 0.00 O ATOM 307 OE2 GLU A 22 -5.695 12.179 -11.340 1.00 0.00 O ATOM 0 H GLU A 22 -7.766 10.726 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.943 8.239 -8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.056 10.617 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.891 9.225 -9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.209 9.953 -10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.887 11.486 -9.276 1.00 0.00 H new ATOM 314 N ASP A 23 -5.352 9.298 -5.547 1.00 0.00 N ATOM 315 CA ASP A 23 -4.540 8.866 -4.415 1.00 0.00 C ATOM 316 C ASP A 23 -5.321 7.908 -3.521 1.00 0.00 C ATOM 317 O ASP A 23 -6.552 7.885 -3.543 1.00 0.00 O ATOM 318 CB ASP A 23 -4.073 10.076 -3.604 1.00 0.00 C ATOM 319 CG ASP A 23 -3.220 11.026 -4.421 1.00 0.00 C ATOM 320 OD1 ASP A 23 -3.790 11.927 -5.071 1.00 0.00 O ATOM 321 OD2 ASP A 23 -1.981 10.869 -4.409 1.00 0.00 O ATOM 0 H ASP A 23 -5.677 10.263 -5.489 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.667 8.341 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.942 10.611 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.504 9.733 -2.740 1.00 0.00 H new ATOM 326 N LEU A 24 -4.598 7.119 -2.735 1.00 0.00 N ATOM 327 CA LEU A 24 -5.222 6.158 -1.832 1.00 0.00 C ATOM 328 C LEU A 24 -4.908 6.492 -0.378 1.00 0.00 C ATOM 329 O LEU A 24 -3.813 6.955 -0.061 1.00 0.00 O ATOM 330 CB LEU A 24 -4.746 4.740 -2.156 1.00 0.00 C ATOM 331 CG LEU A 24 -4.857 3.720 -1.023 1.00 0.00 C ATOM 332 CD1 LEU A 24 -6.296 3.253 -0.864 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.936 2.536 -1.279 1.00 0.00 C ATOM 0 H LEU A 24 -3.578 7.125 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.301 6.214 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.319 4.372 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.704 4.791 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.548 4.201 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.355 2.527 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.932 4.107 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.633 2.789 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.028 1.820 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.214 2.055 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.905 2.884 -1.342 1.00 0.00 H new ATOM 345 N GLU A 25 -5.875 6.253 0.502 1.00 0.00 N ATOM 346 CA GLU A 25 -5.700 6.528 1.923 1.00 0.00 C ATOM 347 C GLU A 25 -5.392 5.246 2.691 1.00 0.00 C ATOM 348 O GLU A 25 -5.960 4.191 2.411 1.00 0.00 O ATOM 349 CB GLU A 25 -6.955 7.190 2.496 1.00 0.00 C ATOM 350 CG GLU A 25 -6.672 8.132 3.654 1.00 0.00 C ATOM 351 CD GLU A 25 -7.796 9.123 3.887 1.00 0.00 C ATOM 352 OE1 GLU A 25 -8.134 9.869 2.944 1.00 0.00 O ATOM 353 OE2 GLU A 25 -8.336 9.154 5.012 1.00 0.00 O ATOM 0 H GLU A 25 -6.788 5.870 0.256 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.856 7.209 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.458 7.744 1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.644 6.414 2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.513 7.549 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.748 8.676 3.458 1.00 0.00 H new ATOM 360 N MET A 26 -4.489 5.347 3.661 1.00 0.00 N ATOM 361 CA MET A 26 -4.106 4.196 4.471 1.00 0.00 C ATOM 362 C MET A 26 -3.823 4.614 5.910 1.00 0.00 C ATOM 363 O MET A 26 -3.800 5.803 6.228 1.00 0.00 O ATOM 364 CB MET A 26 -2.874 3.513 3.874 1.00 0.00 C ATOM 365 CG MET A 26 -1.952 4.466 3.129 1.00 0.00 C ATOM 366 SD MET A 26 -0.557 3.622 2.359 1.00 0.00 S ATOM 367 CE MET A 26 0.663 4.933 2.340 1.00 0.00 C ATOM 0 H MET A 26 -4.009 6.213 3.905 1.00 0.00 H new ATOM 0 HA MET A 26 -4.938 3.492 4.473 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.314 3.029 4.674 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.199 2.727 3.192 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.522 4.992 2.363 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.578 5.220 3.822 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.602 4.550 1.941 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.308 5.751 1.713 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.822 5.297 3.355 1.00 0.00 H new ATOM 377 N ARG A 27 -3.608 3.629 6.776 1.00 0.00 N ATOM 378 CA ARG A 27 -3.328 3.895 8.182 1.00 0.00 C ATOM 379 C ARG A 27 -2.083 3.142 8.641 1.00 0.00 C ATOM 380 O ARG A 27 -1.716 2.105 8.087 1.00 0.00 O ATOM 381 CB ARG A 27 -4.526 3.498 9.047 1.00 0.00 C ATOM 382 CG ARG A 27 -5.762 4.347 8.802 1.00 0.00 C ATOM 383 CD ARG A 27 -6.683 4.352 10.012 1.00 0.00 C ATOM 384 NE ARG A 27 -8.083 4.525 9.634 1.00 0.00 N ATOM 385 CZ ARG A 27 -8.589 5.673 9.194 1.00 0.00 C ATOM 386 NH1 ARG A 27 -7.813 6.742 9.079 1.00 0.00 N ATOM 387 NH2 ARG A 27 -9.873 5.752 8.870 1.00 0.00 N ATOM 0 H ARG A 27 -3.622 2.640 6.529 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.146 4.964 8.294 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.770 2.453 8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.246 3.574 10.098 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.462 5.368 8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.301 3.965 7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.568 3.416 10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.388 5.154 10.688 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.706 3.721 9.712 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.826 6.685 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.203 7.622 8.741 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.473 4.932 8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.261 6.633 8.533 1.00 0.00 H new ATOM 401 N PRO A 28 -1.418 3.673 9.677 1.00 0.00 N ATOM 402 CA PRO A 28 -0.204 3.067 10.233 1.00 0.00 C ATOM 403 C PRO A 28 -0.492 1.759 10.962 1.00 0.00 C ATOM 404 O PRO A 28 -0.748 1.750 12.165 1.00 0.00 O ATOM 405 CB PRO A 28 0.303 4.126 11.215 1.00 0.00 C ATOM 406 CG PRO A 28 -0.911 4.899 11.599 1.00 0.00 C ATOM 407 CD PRO A 28 -1.799 4.906 10.386 1.00 0.00 C ATOM 0 HA PRO A 28 0.515 2.807 9.456 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.772 3.667 12.085 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.052 4.769 10.752 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.415 4.438 12.449 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.649 5.914 11.897 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.854 4.902 10.660 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.633 5.791 9.771 1.00 0.00 H new ATOM 415 N GLY A 29 -0.446 0.653 10.225 1.00 0.00 N ATOM 416 CA GLY A 29 -0.703 -0.646 10.819 1.00 0.00 C ATOM 417 C GLY A 29 -1.689 -1.467 10.012 1.00 0.00 C ATOM 418 O GLY A 29 -1.960 -2.623 10.340 1.00 0.00 O ATOM 0 H GLY A 29 -0.235 0.634 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.235 -1.194 10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.089 -0.510 11.829 1.00 0.00 H new ATOM 422 N ASP A 30 -2.229 -0.870 8.956 1.00 0.00 N ATOM 423 CA ASP A 30 -3.192 -1.554 8.100 1.00 0.00 C ATOM 424 C ASP A 30 -2.482 -2.461 7.099 1.00 0.00 C ATOM 425 O ASP A 30 -1.271 -2.355 6.902 1.00 0.00 O ATOM 426 CB ASP A 30 -4.060 -0.536 7.358 1.00 0.00 C ATOM 427 CG ASP A 30 -5.308 -0.165 8.134 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.182 0.200 9.322 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.411 -0.238 7.553 1.00 0.00 O ATOM 0 H ASP A 30 -2.017 0.086 8.672 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.830 -2.171 8.733 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.475 0.363 7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.346 -0.945 6.389 1.00 0.00 H new ATOM 434 N ILE A 31 -3.243 -3.351 6.472 1.00 0.00 N ATOM 435 CA ILE A 31 -2.686 -4.276 5.493 1.00 0.00 C ATOM 436 C ILE A 31 -3.073 -3.874 4.074 1.00 0.00 C ATOM 437 O ILE A 31 -4.230 -3.548 3.805 1.00 0.00 O ATOM 438 CB ILE A 31 -3.156 -5.720 5.751 1.00 0.00 C ATOM 439 CG1 ILE A 31 -2.895 -6.112 7.207 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.455 -6.683 4.804 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.439 -6.391 7.506 1.00 0.00 C ATOM 0 H ILE A 31 -4.247 -3.451 6.624 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.602 -4.231 5.598 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.229 -5.776 5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.244 -5.311 7.859 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.483 -6.998 7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.798 -7.699 4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.687 -6.413 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.378 -6.627 4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.329 -6.663 8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.090 -7.212 6.880 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.847 -5.499 7.298 1.00 0.00 H new ATOM 453 N ILE A 32 -2.099 -3.900 3.171 1.00 0.00 N ATOM 454 CA ILE A 32 -2.339 -3.540 1.779 1.00 0.00 C ATOM 455 C ILE A 32 -1.841 -4.630 0.836 1.00 0.00 C ATOM 456 O ILE A 32 -0.787 -5.226 1.059 1.00 0.00 O ATOM 457 CB ILE A 32 -1.655 -2.210 1.415 1.00 0.00 C ATOM 458 CG1 ILE A 32 -2.235 -1.067 2.252 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.815 -1.920 -0.070 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.246 0.045 2.523 1.00 0.00 C ATOM 0 H ILE A 32 -1.136 -4.166 3.378 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.417 -3.427 1.664 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.591 -2.294 1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.102 -0.654 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.589 -1.467 3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.326 -0.976 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.359 -2.723 -0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.875 -1.852 -0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.725 0.820 3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.389 -0.354 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.910 0.471 1.578 1.00 0.00 H new ATOM 472 N THR A 33 -2.605 -4.885 -0.222 1.00 0.00 N ATOM 473 CA THR A 33 -2.242 -5.902 -1.200 1.00 0.00 C ATOM 474 C THR A 33 -1.610 -5.275 -2.437 1.00 0.00 C ATOM 475 O THR A 33 -2.310 -4.751 -3.306 1.00 0.00 O ATOM 476 CB THR A 33 -3.466 -6.734 -1.628 1.00 0.00 C ATOM 477 OG1 THR A 33 -4.082 -7.326 -0.478 1.00 0.00 O ATOM 478 CG2 THR A 33 -3.064 -7.822 -2.611 1.00 0.00 C ATOM 0 H THR A 33 -3.480 -4.400 -0.423 1.00 0.00 H new ATOM 0 HA THR A 33 -1.517 -6.558 -0.718 1.00 0.00 H new ATOM 0 HB THR A 33 -4.177 -6.069 -2.118 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.860 -7.852 -0.758 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.945 -8.396 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.622 -7.366 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.336 -8.485 -2.143 1.00 0.00 H new ATOM 486 N LEU A 34 -0.285 -5.331 -2.513 1.00 0.00 N ATOM 487 CA LEU A 34 0.441 -4.768 -3.646 1.00 0.00 C ATOM 488 C LEU A 34 -0.017 -5.402 -4.956 1.00 0.00 C ATOM 489 O LEU A 34 0.257 -6.573 -5.221 1.00 0.00 O ATOM 490 CB LEU A 34 1.946 -4.974 -3.466 1.00 0.00 C ATOM 491 CG LEU A 34 2.852 -4.086 -4.319 1.00 0.00 C ATOM 492 CD1 LEU A 34 2.747 -2.634 -3.877 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.294 -4.565 -4.243 1.00 0.00 C ATOM 0 H LEU A 34 0.309 -5.761 -1.803 1.00 0.00 H new ATOM 0 HA LEU A 34 0.229 -3.700 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.192 -4.809 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.179 -6.016 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 34 2.522 -4.154 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.399 -2.017 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.717 -2.294 -3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.050 -2.549 -2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.924 -3.921 -4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.636 -4.528 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.357 -5.590 -4.610 1.00 0.00 H new ATOM 505 N LEU A 35 -0.714 -4.620 -5.773 1.00 0.00 N ATOM 506 CA LEU A 35 -1.209 -5.104 -7.058 1.00 0.00 C ATOM 507 C LEU A 35 -0.153 -4.936 -8.146 1.00 0.00 C ATOM 508 O LEU A 35 0.307 -5.915 -8.733 1.00 0.00 O ATOM 509 CB LEU A 35 -2.485 -4.356 -7.449 1.00 0.00 C ATOM 510 CG LEU A 35 -3.667 -4.498 -6.490 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.786 -3.543 -6.877 1.00 0.00 C ATOM 512 CD2 LEU A 35 -4.171 -5.934 -6.475 1.00 0.00 C ATOM 0 H LEU A 35 -0.949 -3.649 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.434 -6.166 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.246 -3.297 -7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.798 -4.703 -8.434 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.329 -4.241 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.619 -3.658 -6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.419 -2.517 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.123 -3.768 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.012 -6.017 -5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.492 -6.217 -7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.370 -6.597 -6.150 1.00 0.00 H new ATOM 524 N GLU A 36 0.226 -3.689 -8.408 1.00 0.00 N ATOM 525 CA GLU A 36 1.229 -3.395 -9.424 1.00 0.00 C ATOM 526 C GLU A 36 2.521 -2.894 -8.785 1.00 0.00 C ATOM 527 O GLU A 36 2.495 -2.079 -7.863 1.00 0.00 O ATOM 528 CB GLU A 36 0.697 -2.352 -10.410 1.00 0.00 C ATOM 529 CG GLU A 36 1.270 -2.490 -11.810 1.00 0.00 C ATOM 530 CD GLU A 36 0.939 -1.305 -12.696 1.00 0.00 C ATOM 531 OE1 GLU A 36 0.872 -0.173 -12.172 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.747 -1.509 -13.913 1.00 0.00 O ATOM 0 H GLU A 36 -0.146 -2.868 -7.931 1.00 0.00 H new ATOM 0 HA GLU A 36 1.445 -4.318 -9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.389 -2.433 -10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.924 -1.356 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.353 -2.600 -11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.884 -3.400 -12.268 1.00 0.00 H new ATOM 539 N ASP A 37 3.650 -3.388 -9.282 1.00 0.00 N ATOM 540 CA ASP A 37 4.953 -2.991 -8.761 1.00 0.00 C ATOM 541 C ASP A 37 5.916 -2.664 -9.897 1.00 0.00 C ATOM 542 O ASP A 37 7.133 -2.765 -9.742 1.00 0.00 O ATOM 543 CB ASP A 37 5.536 -4.102 -7.885 1.00 0.00 C ATOM 544 CG ASP A 37 6.086 -5.254 -8.702 1.00 0.00 C ATOM 545 OD1 ASP A 37 5.278 -6.004 -9.290 1.00 0.00 O ATOM 546 OD2 ASP A 37 7.324 -5.406 -8.755 1.00 0.00 O ATOM 0 H ASP A 37 3.689 -4.064 -10.045 1.00 0.00 H new ATOM 0 HA ASP A 37 4.817 -2.095 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.330 -3.691 -7.262 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.763 -4.474 -7.212 1.00 0.00 H new ATOM 551 N SER A 38 5.363 -2.273 -11.041 1.00 0.00 N ATOM 552 CA SER A 38 6.173 -1.936 -12.206 1.00 0.00 C ATOM 553 C SER A 38 7.121 -0.783 -11.893 1.00 0.00 C ATOM 554 O SER A 38 8.251 -0.744 -12.379 1.00 0.00 O ATOM 555 CB SER A 38 5.275 -1.566 -13.388 1.00 0.00 C ATOM 556 OG SER A 38 5.994 -1.611 -14.608 1.00 0.00 O ATOM 0 H SER A 38 4.357 -2.182 -11.186 1.00 0.00 H new ATOM 0 HA SER A 38 6.767 -2.811 -12.470 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.429 -2.252 -13.435 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.867 -0.566 -13.240 1.00 0.00 H new ATOM 0 HG SER A 38 5.398 -1.372 -15.348 1.00 0.00 H new ATOM 562 N ASN A 39 6.652 0.156 -11.077 1.00 0.00 N ATOM 563 CA ASN A 39 7.458 1.312 -10.698 1.00 0.00 C ATOM 564 C ASN A 39 8.382 0.972 -9.533 1.00 0.00 C ATOM 565 O ASN A 39 8.397 -0.159 -9.050 1.00 0.00 O ATOM 566 CB ASN A 39 6.554 2.488 -10.322 1.00 0.00 C ATOM 567 CG ASN A 39 5.542 2.809 -11.405 1.00 0.00 C ATOM 568 OD1 ASN A 39 5.905 3.220 -12.507 1.00 0.00 O ATOM 569 ND2 ASN A 39 4.264 2.622 -11.094 1.00 0.00 N ATOM 0 H ASN A 39 5.719 0.139 -10.666 1.00 0.00 H new ATOM 0 HA ASN A 39 8.071 1.593 -11.554 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.029 2.257 -9.395 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.168 3.368 -10.130 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.537 2.821 -11.782 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.009 2.280 -10.168 1.00 0.00 H new ATOM 576 N GLU A 40 9.149 1.961 -9.086 1.00 0.00 N ATOM 577 CA GLU A 40 10.076 1.767 -7.977 1.00 0.00 C ATOM 578 C GLU A 40 9.794 2.758 -6.852 1.00 0.00 C ATOM 579 O GLU A 40 10.015 2.460 -5.678 1.00 0.00 O ATOM 580 CB GLU A 40 11.521 1.922 -8.457 1.00 0.00 C ATOM 581 CG GLU A 40 12.538 1.941 -7.329 1.00 0.00 C ATOM 582 CD GLU A 40 13.016 0.552 -6.952 1.00 0.00 C ATOM 583 OE1 GLU A 40 13.392 -0.215 -7.862 1.00 0.00 O ATOM 584 OE2 GLU A 40 13.014 0.232 -5.744 1.00 0.00 O ATOM 0 H GLU A 40 9.147 2.904 -9.474 1.00 0.00 H new ATOM 0 HA GLU A 40 9.935 0.757 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.759 1.103 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.608 2.846 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.394 2.548 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.097 2.419 -6.455 1.00 0.00 H new ATOM 591 N ASP A 41 9.304 3.937 -7.219 1.00 0.00 N ATOM 592 CA ASP A 41 8.991 4.973 -6.241 1.00 0.00 C ATOM 593 C ASP A 41 7.619 4.735 -5.619 1.00 0.00 C ATOM 594 O ASP A 41 7.508 4.471 -4.421 1.00 0.00 O ATOM 595 CB ASP A 41 9.034 6.354 -6.898 1.00 0.00 C ATOM 596 CG ASP A 41 10.296 6.571 -7.709 1.00 0.00 C ATOM 597 OD1 ASP A 41 11.399 6.384 -7.152 1.00 0.00 O ATOM 598 OD2 ASP A 41 10.182 6.926 -8.900 1.00 0.00 O ATOM 0 H ASP A 41 9.115 4.199 -8.186 1.00 0.00 H new ATOM 0 HA ASP A 41 9.741 4.931 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.165 6.472 -7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.964 7.122 -6.128 1.00 0.00 H new ATOM 603 N TRP A 42 6.578 4.831 -6.438 1.00 0.00 N ATOM 604 CA TRP A 42 5.213 4.627 -5.966 1.00 0.00 C ATOM 605 C TRP A 42 4.657 3.298 -6.467 1.00 0.00 C ATOM 606 O TRP A 42 4.923 2.891 -7.598 1.00 0.00 O ATOM 607 CB TRP A 42 4.315 5.776 -6.428 1.00 0.00 C ATOM 608 CG TRP A 42 4.670 7.093 -5.808 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.884 7.718 -5.850 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.804 7.946 -5.051 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.824 8.908 -5.165 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.559 9.071 -4.667 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.463 7.869 -4.664 1.00 0.00 C ATOM 614 CZ2 TRP A 42 4.016 10.108 -3.913 1.00 0.00 C ATOM 615 CZ3 TRP A 42 1.927 8.899 -3.915 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.701 10.007 -3.547 1.00 0.00 C ATOM 0 H TRP A 42 6.653 5.049 -7.432 1.00 0.00 H new ATOM 0 HA TRP A 42 5.231 4.605 -4.876 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.379 5.864 -7.513 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.279 5.537 -6.188 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.762 7.334 -6.348 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.597 9.563 -5.047 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.857 7.020 -4.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.612 10.962 -3.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.893 8.849 -3.608 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.252 10.797 -2.963 1.00 0.00 H new ATOM 627 N TRP A 43 3.886 2.627 -5.619 1.00 0.00 N ATOM 628 CA TRP A 43 3.293 1.344 -5.977 1.00 0.00 C ATOM 629 C TRP A 43 1.780 1.372 -5.787 1.00 0.00 C ATOM 630 O TRP A 43 1.247 2.237 -5.092 1.00 0.00 O ATOM 631 CB TRP A 43 3.904 0.224 -5.135 1.00 0.00 C ATOM 632 CG TRP A 43 5.343 -0.046 -5.459 1.00 0.00 C ATOM 633 CD1 TRP A 43 5.960 0.141 -6.663 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.342 -0.552 -4.567 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.283 -0.220 -6.573 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.543 -0.647 -5.298 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.340 -0.933 -3.223 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.726 -1.108 -4.727 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.515 -1.390 -2.658 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.695 -1.474 -3.409 1.00 0.00 C ATOM 0 H TRP A 43 3.657 2.950 -4.679 1.00 0.00 H new ATOM 0 HA TRP A 43 3.505 1.155 -7.029 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.819 0.485 -4.080 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.328 -0.689 -5.285 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.479 0.517 -7.554 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.962 -0.177 -7.333 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.436 -0.871 -2.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.636 -1.174 -5.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.524 -1.688 -1.620 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.598 -1.835 -2.938 1.00 0.00 H new ATOM 651 N LYS A 44 1.093 0.420 -6.409 1.00 0.00 N ATOM 652 CA LYS A 44 -0.359 0.334 -6.308 1.00 0.00 C ATOM 653 C LYS A 44 -0.776 -0.875 -5.475 1.00 0.00 C ATOM 654 O LYS A 44 -0.158 -1.936 -5.551 1.00 0.00 O ATOM 655 CB LYS A 44 -0.984 0.246 -7.702 1.00 0.00 C ATOM 656 CG LYS A 44 -2.480 0.511 -7.716 1.00 0.00 C ATOM 657 CD LYS A 44 -2.783 1.988 -7.901 1.00 0.00 C ATOM 658 CE LYS A 44 -4.276 2.236 -8.052 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.796 1.718 -9.348 1.00 0.00 N ATOM 0 H LYS A 44 1.519 -0.303 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.717 1.236 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.490 0.963 -8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.795 -0.745 -8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.944 -0.060 -8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.921 0.162 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.405 2.548 -7.046 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.260 2.360 -8.782 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.809 1.758 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.475 3.305 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.765 2.066 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.186 2.048 -10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.801 0.678 -9.329 1.00 0.00 H new ATOM 673 N GLY A 45 -1.830 -0.707 -4.682 1.00 0.00 N ATOM 674 CA GLY A 45 -2.311 -1.793 -3.848 1.00 0.00 C ATOM 675 C GLY A 45 -3.824 -1.827 -3.758 1.00 0.00 C ATOM 676 O GLY A 45 -4.514 -1.120 -4.492 1.00 0.00 O ATOM 0 H GLY A 45 -2.359 0.161 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.952 -2.741 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.892 -1.691 -2.847 1.00 0.00 H new ATOM 680 N LYS A 46 -4.342 -2.654 -2.855 1.00 0.00 N ATOM 681 CA LYS A 46 -5.783 -2.779 -2.671 1.00 0.00 C ATOM 682 C LYS A 46 -6.128 -2.970 -1.197 1.00 0.00 C ATOM 683 O LYS A 46 -5.693 -3.935 -0.568 1.00 0.00 O ATOM 684 CB LYS A 46 -6.322 -3.955 -3.488 1.00 0.00 C ATOM 685 CG LYS A 46 -7.805 -4.211 -3.280 1.00 0.00 C ATOM 686 CD LYS A 46 -8.286 -5.398 -4.099 1.00 0.00 C ATOM 687 CE LYS A 46 -8.588 -4.998 -5.535 1.00 0.00 C ATOM 688 NZ LYS A 46 -9.472 -5.987 -6.212 1.00 0.00 N ATOM 0 H LYS A 46 -3.785 -3.247 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.250 -1.858 -3.020 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.139 -3.766 -4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.766 -4.855 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.999 -4.394 -2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.371 -3.322 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.526 -6.180 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.181 -5.818 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.064 -4.018 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.655 -4.905 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.654 -5.678 -7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.007 -6.917 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.373 -6.057 -5.697 1.00 0.00 H new ATOM 702 N ILE A 47 -6.913 -2.046 -0.654 1.00 0.00 N ATOM 703 CA ILE A 47 -7.318 -2.114 0.745 1.00 0.00 C ATOM 704 C ILE A 47 -8.781 -2.525 0.874 1.00 0.00 C ATOM 705 O ILE A 47 -9.540 -2.462 -0.092 1.00 0.00 O ATOM 706 CB ILE A 47 -7.110 -0.765 1.458 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.724 -0.202 1.137 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.286 -0.928 2.961 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.308 0.933 2.046 1.00 0.00 C ATOM 0 H ILE A 47 -7.281 -1.241 -1.161 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.688 -2.867 1.220 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.860 -0.061 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.989 -1.004 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.713 0.147 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.136 0.034 3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.292 -1.290 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.556 -1.645 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.316 1.283 1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.021 1.752 1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.287 0.583 3.078 1.00 0.00 H new ATOM 721 N GLN A 48 -9.168 -2.944 2.074 1.00 0.00 N ATOM 722 CA GLN A 48 -10.541 -3.363 2.330 1.00 0.00 C ATOM 723 C GLN A 48 -11.521 -2.578 1.464 1.00 0.00 C ATOM 724 O GLN A 48 -12.225 -3.149 0.631 1.00 0.00 O ATOM 725 CB GLN A 48 -10.887 -3.178 3.809 1.00 0.00 C ATOM 726 CG GLN A 48 -10.153 -4.139 4.730 1.00 0.00 C ATOM 727 CD GLN A 48 -10.717 -4.144 6.137 1.00 0.00 C ATOM 728 OE1 GLN A 48 -11.903 -4.402 6.342 1.00 0.00 O ATOM 729 NE2 GLN A 48 -9.867 -3.858 7.117 1.00 0.00 N ATOM 0 H GLN A 48 -8.551 -3.002 2.884 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.625 -4.419 2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.652 -2.155 4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.961 -3.309 3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.209 -5.146 4.317 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.098 -3.867 4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.892 -3.650 6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.189 -3.846 8.085 1.00 0.00 H new ATOM 738 N ASP A 49 -11.561 -1.266 1.667 1.00 0.00 N ATOM 739 CA ASP A 49 -12.454 -0.401 0.905 1.00 0.00 C ATOM 740 C ASP A 49 -11.703 0.811 0.361 1.00 0.00 C ATOM 741 O ASP A 49 -12.313 1.802 -0.041 1.00 0.00 O ATOM 742 CB ASP A 49 -13.623 0.057 1.778 1.00 0.00 C ATOM 743 CG ASP A 49 -14.196 -1.069 2.616 1.00 0.00 C ATOM 744 OD1 ASP A 49 -14.212 -2.220 2.131 1.00 0.00 O ATOM 745 OD2 ASP A 49 -14.627 -0.799 3.756 1.00 0.00 O ATOM 0 H ASP A 49 -10.985 -0.778 2.353 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.843 -0.973 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.289 0.861 2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.407 0.469 1.143 1.00 0.00 H new ATOM 750 N ARG A 50 -10.377 0.725 0.353 1.00 0.00 N ATOM 751 CA ARG A 50 -9.544 1.815 -0.139 1.00 0.00 C ATOM 752 C ARG A 50 -8.607 1.329 -1.240 1.00 0.00 C ATOM 753 O ARG A 50 -7.837 0.388 -1.043 1.00 0.00 O ATOM 754 CB ARG A 50 -8.730 2.421 1.007 1.00 0.00 C ATOM 755 CG ARG A 50 -9.411 2.310 2.362 1.00 0.00 C ATOM 756 CD ARG A 50 -9.024 3.463 3.275 1.00 0.00 C ATOM 757 NE ARG A 50 -9.784 4.674 2.979 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.014 4.897 3.427 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.620 3.996 4.187 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.641 6.024 3.115 1.00 0.00 N ATOM 0 H ARG A 50 -9.857 -0.088 0.682 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.200 2.580 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -7.761 1.925 1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.540 3.472 0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -10.493 2.298 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.138 1.365 2.832 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -9.191 3.175 4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.959 3.668 3.168 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.346 5.388 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.142 3.128 4.429 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.565 4.170 4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.178 6.720 2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.586 6.194 3.460 1.00 0.00 H new ATOM 774 N ILE A 51 -8.678 1.975 -2.399 1.00 0.00 N ATOM 775 CA ILE A 51 -7.836 1.608 -3.531 1.00 0.00 C ATOM 776 C ILE A 51 -7.248 2.845 -4.202 1.00 0.00 C ATOM 777 O ILE A 51 -7.879 3.901 -4.244 1.00 0.00 O ATOM 778 CB ILE A 51 -8.622 0.796 -4.577 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.404 -0.330 -3.897 1.00 0.00 C ATOM 780 CG2 ILE A 51 -7.677 0.232 -5.628 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.307 -1.094 -4.841 1.00 0.00 C ATOM 0 H ILE A 51 -9.310 2.755 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.028 0.992 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.332 1.459 -5.072 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.700 -1.025 -3.438 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.006 0.091 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.247 -0.340 -6.361 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.160 1.050 -6.129 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.946 -0.419 -5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.830 -1.876 -4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.034 -0.412 -5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.708 -1.545 -5.632 1.00 0.00 H new ATOM 793 N GLY A 52 -6.035 2.706 -4.728 1.00 0.00 N ATOM 794 CA GLY A 52 -5.382 3.819 -5.391 1.00 0.00 C ATOM 795 C GLY A 52 -3.870 3.732 -5.319 1.00 0.00 C ATOM 796 O GLY A 52 -3.316 2.673 -5.022 1.00 0.00 O ATOM 0 H GLY A 52 -5.493 1.842 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.692 3.848 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.711 4.753 -4.935 1.00 0.00 H new ATOM 800 N PHE A 53 -3.201 4.847 -5.592 1.00 0.00 N ATOM 801 CA PHE A 53 -1.744 4.891 -5.559 1.00 0.00 C ATOM 802 C PHE A 53 -1.243 5.298 -4.176 1.00 0.00 C ATOM 803 O PHE A 53 -1.996 5.837 -3.364 1.00 0.00 O ATOM 804 CB PHE A 53 -1.218 5.869 -6.611 1.00 0.00 C ATOM 805 CG PHE A 53 -1.799 5.647 -7.979 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.257 4.697 -8.830 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.886 6.388 -8.413 1.00 0.00 C ATOM 808 CE1 PHE A 53 -1.789 4.492 -10.089 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.423 6.186 -9.670 1.00 0.00 C ATOM 810 CZ PHE A 53 -2.874 5.236 -10.509 1.00 0.00 C ATOM 0 H PHE A 53 -3.644 5.732 -5.838 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.371 3.892 -5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.439 6.887 -6.292 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.133 5.781 -6.667 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.410 4.111 -8.506 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.319 7.132 -7.761 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.356 3.750 -10.744 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.271 6.770 -9.996 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.292 5.075 -11.492 1.00 0.00 H new ATOM 820 N PHE A 54 0.033 5.035 -3.914 1.00 0.00 N ATOM 821 CA PHE A 54 0.635 5.371 -2.629 1.00 0.00 C ATOM 822 C PHE A 54 2.154 5.235 -2.688 1.00 0.00 C ATOM 823 O PHE A 54 2.700 4.398 -3.406 1.00 0.00 O ATOM 824 CB PHE A 54 0.073 4.471 -1.527 1.00 0.00 C ATOM 825 CG PHE A 54 0.546 3.048 -1.616 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.874 2.730 -1.380 1.00 0.00 C ATOM 827 CD2 PHE A 54 -0.337 2.029 -1.935 1.00 0.00 C ATOM 828 CE1 PHE A 54 2.312 1.421 -1.463 1.00 0.00 C ATOM 829 CE2 PHE A 54 0.096 0.718 -2.018 1.00 0.00 C ATOM 830 CZ PHE A 54 1.422 0.415 -1.780 1.00 0.00 C ATOM 0 H PHE A 54 0.670 4.590 -4.575 1.00 0.00 H new ATOM 0 HA PHE A 54 0.389 6.408 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.355 4.879 -0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.016 4.487 -1.576 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.574 3.513 -1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.375 2.261 -2.121 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.350 1.186 -1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.602 -0.067 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.762 -0.608 -1.842 1.00 0.00 H new ATOM 840 N PRO A 55 2.853 6.078 -1.914 1.00 0.00 N ATOM 841 CA PRO A 55 4.318 6.073 -1.860 1.00 0.00 C ATOM 842 C PRO A 55 4.868 4.829 -1.170 1.00 0.00 C ATOM 843 O PRO A 55 4.507 4.528 -0.032 1.00 0.00 O ATOM 844 CB PRO A 55 4.648 7.326 -1.045 1.00 0.00 C ATOM 845 CG PRO A 55 3.438 7.563 -0.208 1.00 0.00 C ATOM 846 CD PRO A 55 2.268 7.102 -1.032 1.00 0.00 C ATOM 0 HA PRO A 55 4.762 6.066 -2.855 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.533 7.175 -0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.854 8.177 -1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.497 7.010 0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.342 8.618 0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.475 6.689 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.831 7.921 -1.603 1.00 0.00 H new ATOM 854 N ALA A 56 5.742 4.110 -1.865 1.00 0.00 N ATOM 855 CA ALA A 56 6.343 2.900 -1.318 1.00 0.00 C ATOM 856 C ALA A 56 7.170 3.211 -0.075 1.00 0.00 C ATOM 857 O ALA A 56 7.515 2.314 0.693 1.00 0.00 O ATOM 858 CB ALA A 56 7.205 2.217 -2.369 1.00 0.00 C ATOM 0 H ALA A 56 6.050 4.344 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 56 5.538 2.224 -1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.647 1.315 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.589 1.951 -3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.997 2.895 -2.687 1.00 0.00 H new ATOM 864 N ASN A 57 7.484 4.489 0.117 1.00 0.00 N ATOM 865 CA ASN A 57 8.271 4.918 1.267 1.00 0.00 C ATOM 866 C ASN A 57 7.418 4.942 2.531 1.00 0.00 C ATOM 867 O ASN A 57 7.941 4.926 3.646 1.00 0.00 O ATOM 868 CB ASN A 57 8.868 6.304 1.014 1.00 0.00 C ATOM 869 CG ASN A 57 10.039 6.262 0.051 1.00 0.00 C ATOM 870 OD1 ASN A 57 9.882 5.916 -1.120 1.00 0.00 O ATOM 871 ND2 ASN A 57 11.221 6.616 0.541 1.00 0.00 N ATOM 0 H ASN A 57 7.205 5.245 -0.509 1.00 0.00 H new ATOM 0 HA ASN A 57 9.080 4.202 1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.096 6.962 0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.195 6.734 1.961 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.045 6.608 -0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.305 6.896 1.518 1.00 0.00 H new ATOM 878 N PHE A 58 6.102 4.981 2.350 1.00 0.00 N ATOM 879 CA PHE A 58 5.176 5.007 3.477 1.00 0.00 C ATOM 880 C PHE A 58 4.955 3.604 4.032 1.00 0.00 C ATOM 881 O PHE A 58 4.682 3.430 5.220 1.00 0.00 O ATOM 882 CB PHE A 58 3.839 5.616 3.050 1.00 0.00 C ATOM 883 CG PHE A 58 3.776 7.107 3.222 1.00 0.00 C ATOM 884 CD1 PHE A 58 4.708 7.928 2.607 1.00 0.00 C ATOM 885 CD2 PHE A 58 2.786 7.687 3.998 1.00 0.00 C ATOM 886 CE1 PHE A 58 4.653 9.300 2.765 1.00 0.00 C ATOM 887 CE2 PHE A 58 2.726 9.058 4.159 1.00 0.00 C ATOM 888 CZ PHE A 58 3.660 9.866 3.541 1.00 0.00 C ATOM 0 H PHE A 58 5.653 4.995 1.434 1.00 0.00 H new ATOM 0 HA PHE A 58 5.614 5.623 4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.655 5.371 2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.038 5.157 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.485 7.491 1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.052 7.060 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.386 9.929 2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.949 9.497 4.768 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.614 10.938 3.664 1.00 0.00 H new ATOM 898 N VAL A 59 5.075 2.604 3.164 1.00 0.00 N ATOM 899 CA VAL A 59 4.889 1.215 3.567 1.00 0.00 C ATOM 900 C VAL A 59 6.225 0.487 3.661 1.00 0.00 C ATOM 901 O VAL A 59 7.182 0.835 2.971 1.00 0.00 O ATOM 902 CB VAL A 59 3.975 0.463 2.582 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.609 1.128 2.505 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.620 0.391 1.206 1.00 0.00 C ATOM 0 H VAL A 59 5.300 2.730 2.177 1.00 0.00 H new ATOM 0 HA VAL A 59 4.417 1.230 4.549 1.00 0.00 H new ATOM 0 HB VAL A 59 3.836 -0.555 2.947 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.978 0.582 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.145 1.122 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.724 2.157 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.960 -0.144 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.790 1.400 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.572 -0.135 1.277 1.00 0.00 H new ATOM 914 N GLN A 60 6.281 -0.526 4.520 1.00 0.00 N ATOM 915 CA GLN A 60 7.500 -1.304 4.705 1.00 0.00 C ATOM 916 C GLN A 60 7.298 -2.747 4.257 1.00 0.00 C ATOM 917 O GLN A 60 6.629 -3.529 4.933 1.00 0.00 O ATOM 918 CB GLN A 60 7.936 -1.268 6.171 1.00 0.00 C ATOM 919 CG GLN A 60 9.122 -2.168 6.475 1.00 0.00 C ATOM 920 CD GLN A 60 9.891 -1.725 7.704 1.00 0.00 C ATOM 921 OE1 GLN A 60 9.859 -0.554 8.082 1.00 0.00 O ATOM 922 NE2 GLN A 60 10.589 -2.662 8.336 1.00 0.00 N ATOM 0 H GLN A 60 5.497 -0.827 5.098 1.00 0.00 H new ATOM 0 HA GLN A 60 8.282 -0.859 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.190 -0.243 6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.096 -1.564 6.799 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.770 -3.189 6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.793 -2.181 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.588 -3.621 7.988 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.126 -2.423 9.169 1.00 0.00 H new ATOM 931 N ARG A 61 7.881 -3.095 3.115 1.00 0.00 N ATOM 932 CA ARG A 61 7.763 -4.444 2.576 1.00 0.00 C ATOM 933 C ARG A 61 7.786 -5.480 3.696 1.00 0.00 C ATOM 934 O ARG A 61 8.606 -5.401 4.612 1.00 0.00 O ATOM 935 CB ARG A 61 8.896 -4.722 1.586 1.00 0.00 C ATOM 936 CG ARG A 61 8.913 -6.149 1.064 1.00 0.00 C ATOM 937 CD ARG A 61 9.760 -7.055 1.944 1.00 0.00 C ATOM 938 NE ARG A 61 10.079 -8.317 1.284 1.00 0.00 N ATOM 939 CZ ARG A 61 11.096 -8.470 0.443 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.889 -7.445 0.163 1.00 0.00 N ATOM 941 NH2 ARG A 61 11.323 -9.651 -0.118 1.00 0.00 N ATOM 0 H ARG A 61 8.440 -2.461 2.545 1.00 0.00 H new ATOM 0 HA ARG A 61 6.809 -4.518 2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.806 -4.037 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.850 -4.510 2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.894 -6.533 1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.303 -6.161 0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.684 -6.541 2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.229 -7.257 2.874 1.00 0.00 H new ATOM 0 HE ARG A 61 9.489 -9.126 1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.719 -6.536 0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.669 -7.565 -0.483 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.716 -10.442 0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.104 -9.767 -0.764 1.00 0.00 H new ATOM 955 N LEU A 62 6.883 -6.451 3.616 1.00 0.00 N ATOM 956 CA LEU A 62 6.799 -7.503 4.623 1.00 0.00 C ATOM 957 C LEU A 62 7.517 -8.764 4.154 1.00 0.00 C ATOM 958 O LEU A 62 7.277 -9.253 3.050 1.00 0.00 O ATOM 959 CB LEU A 62 5.335 -7.822 4.935 1.00 0.00 C ATOM 960 CG LEU A 62 4.634 -6.874 5.908 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.142 -6.823 5.622 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.889 -7.302 7.346 1.00 0.00 C ATOM 0 H LEU A 62 6.199 -6.532 2.864 1.00 0.00 H new ATOM 0 HA LEU A 62 7.288 -7.145 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.777 -7.827 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.283 -8.832 5.342 1.00 0.00 H new ATOM 0 HG LEU A 62 5.044 -5.874 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.660 -6.143 6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.979 -6.469 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.716 -7.820 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.383 -6.616 8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.507 -8.311 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.960 -7.286 7.546 1.00 0.00 H new