USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 737 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 23 ASN : amide:sc= -4.63! C(o=-4.6!,f=-8.1!) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.00875 USER MOD Single : A 5 ASN : amide:sc= -1.02 K(o=-1,f=-2.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00215 USER MOD Single : A 13 TYR OH : rot 96:sc= 0.162 USER MOD Single : A 15 GLN : amide:sc= -0.676 K(o=-0.68,f=-2.2) USER MOD Single : A 16 THR OG1 : rot 73:sc= 1.08 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.33 F(o=-2.5,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -35:sc= 0.0701 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.922 K(o=-0.92,f=-3!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 17:sc= 0.754 USER MOD Single : A 77 ASN : amide:sc= -9.28! C(o=-9.3!,f=-17!) USER MOD Single : A 78 TYR OH : rot 180:sc= -3.42! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 80 SER OG : rot 2:sc= 1.08 USER MOD Single : A 84 ASN :FLIP amide:sc= -1.34 F(o=-2.7!,f=-1.3) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -130:sc= -2.01! USER MOD Single : A 91 SER OG : rot 98:sc= 0.582 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0576 USER MOD Single : A 97 TYR OH : rot 15:sc= -3.02! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 59:sc= -0.0609 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00115 USER MOD Single : A 102 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.0033) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.445 USER MOD Single : A 104 GLN : amide:sc= -0.223 K(o=-0.22,f=-2) USER MOD Single : A 105 THR OG1 : rot -138:sc= 0.0214 USER MOD Single : A 107 THR OG1 : rot -170:sc= -1.63 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 3.839 12.018 2.051 1.00 0.00 N ATOM 47 CA ILE A 4 2.494 11.380 2.096 1.00 0.00 C ATOM 48 C ILE A 4 2.653 9.866 2.244 1.00 0.00 C ATOM 49 O ILE A 4 2.781 9.147 1.273 1.00 0.00 O ATOM 50 CB ILE A 4 1.740 11.690 0.801 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.991 13.146 0.402 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.241 11.473 1.017 1.00 0.00 C ATOM 53 CD1 ILE A 4 2.775 13.187 -0.911 1.00 0.00 C ATOM 0 HA ILE A 4 1.934 11.771 2.945 1.00 0.00 H new ATOM 0 HB ILE A 4 2.092 11.029 0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.043 13.672 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.548 13.658 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.295 11.694 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.061 10.436 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.112 12.134 1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.954 14.224 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.729 12.676 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.201 12.690 -1.693 1.00 0.00 H new ATOM 65 N ASN A 5 2.646 9.375 3.453 1.00 0.00 N ATOM 66 CA ASN A 5 2.797 7.908 3.661 1.00 0.00 C ATOM 67 C ASN A 5 1.983 7.480 4.884 1.00 0.00 C ATOM 68 O ASN A 5 2.516 6.972 5.851 1.00 0.00 O ATOM 69 CB ASN A 5 4.275 7.576 3.889 1.00 0.00 C ATOM 70 CG ASN A 5 4.760 8.255 5.171 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.686 9.462 5.298 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.257 7.526 6.133 1.00 0.00 N ATOM 0 H ASN A 5 2.542 9.926 4.305 1.00 0.00 H new ATOM 0 HA ASN A 5 2.436 7.376 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.409 6.497 3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.869 7.913 3.040 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.584 7.969 6.992 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.319 6.514 6.026 1.00 0.00 H new ATOM 79 N THR A 6 0.694 7.683 4.851 1.00 0.00 N ATOM 80 CA THR A 6 -0.153 7.289 6.011 1.00 0.00 C ATOM 81 C THR A 6 -1.508 6.789 5.508 1.00 0.00 C ATOM 82 O THR A 6 -1.692 6.545 4.332 1.00 0.00 O ATOM 83 CB THR A 6 -0.363 8.500 6.923 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.698 9.633 6.134 1.00 0.00 O ATOM 85 CG2 THR A 6 0.920 8.781 7.705 1.00 0.00 C ATOM 0 H THR A 6 0.191 8.105 4.070 1.00 0.00 H new ATOM 0 HA THR A 6 0.342 6.494 6.569 1.00 0.00 H new ATOM 0 HB THR A 6 -1.173 8.292 7.622 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.834 10.409 6.717 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.769 9.644 8.354 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.175 7.911 8.311 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.732 8.989 7.009 1.00 0.00 H new ATOM 93 N PHE A 7 -2.460 6.637 6.388 1.00 0.00 N ATOM 94 CA PHE A 7 -3.802 6.155 5.958 1.00 0.00 C ATOM 95 C PHE A 7 -4.586 7.315 5.340 1.00 0.00 C ATOM 96 O PHE A 7 -4.977 7.269 4.192 1.00 0.00 O ATOM 97 CB PHE A 7 -4.562 5.615 7.171 1.00 0.00 C ATOM 98 CG PHE A 7 -3.861 4.388 7.700 1.00 0.00 C ATOM 99 CD1 PHE A 7 -3.600 3.308 6.849 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.471 4.334 9.042 1.00 0.00 C ATOM 101 CE1 PHE A 7 -2.947 2.171 7.343 1.00 0.00 C ATOM 102 CE2 PHE A 7 -2.820 3.198 9.537 1.00 0.00 C ATOM 103 CZ PHE A 7 -2.557 2.117 8.686 1.00 0.00 C ATOM 0 H PHE A 7 -2.366 6.826 7.386 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.684 5.362 5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.618 6.378 7.947 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.586 5.369 6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.902 3.351 5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.672 5.169 9.697 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.745 1.337 6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.521 3.155 10.574 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.053 1.241 9.067 1.00 0.00 H new ATOM 113 N ASP A 8 -4.818 8.355 6.093 1.00 0.00 N ATOM 114 CA ASP A 8 -5.575 9.518 5.548 1.00 0.00 C ATOM 115 C ASP A 8 -4.712 10.256 4.520 1.00 0.00 C ATOM 116 O ASP A 8 -5.212 10.838 3.578 1.00 0.00 O ATOM 117 CB ASP A 8 -5.936 10.472 6.689 1.00 0.00 C ATOM 118 CG ASP A 8 -7.434 10.374 6.984 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.071 9.496 6.427 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.917 11.179 7.764 1.00 0.00 O ATOM 0 H ASP A 8 -4.516 8.450 7.063 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.487 9.163 5.068 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.362 10.222 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.674 11.495 6.418 1.00 0.00 H new ATOM 125 N GLY A 9 -3.418 10.240 4.698 1.00 0.00 N ATOM 126 CA GLY A 9 -2.524 10.944 3.737 1.00 0.00 C ATOM 127 C GLY A 9 -2.560 10.233 2.386 1.00 0.00 C ATOM 128 O GLY A 9 -2.792 10.840 1.359 1.00 0.00 O ATOM 0 H GLY A 9 -2.942 9.769 5.468 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.842 11.980 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.504 10.964 4.121 1.00 0.00 H new ATOM 132 N VAL A 10 -2.332 8.950 2.376 1.00 0.00 N ATOM 133 CA VAL A 10 -2.354 8.203 1.086 1.00 0.00 C ATOM 134 C VAL A 10 -3.765 8.249 0.505 1.00 0.00 C ATOM 135 O VAL A 10 -3.954 8.493 -0.669 1.00 0.00 O ATOM 136 CB VAL A 10 -1.943 6.750 1.325 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.957 5.991 -0.004 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.533 6.712 1.918 1.00 0.00 C ATOM 0 H VAL A 10 -2.132 8.387 3.202 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.655 8.661 0.386 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.643 6.283 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.664 4.955 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.960 6.019 -0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.256 6.457 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.238 5.677 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.166 7.179 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.521 7.254 2.864 1.00 0.00 H new ATOM 148 N ALA A 11 -4.761 8.029 1.318 1.00 0.00 N ATOM 149 CA ALA A 11 -6.155 8.077 0.805 1.00 0.00 C ATOM 150 C ALA A 11 -6.379 9.440 0.152 1.00 0.00 C ATOM 151 O ALA A 11 -7.018 9.555 -0.877 1.00 0.00 O ATOM 152 CB ALA A 11 -7.136 7.896 1.965 1.00 0.00 C ATOM 0 H ALA A 11 -4.669 7.819 2.312 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.316 7.280 0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.158 7.932 1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.960 6.933 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.991 8.695 2.692 1.00 0.00 H new ATOM 158 N ASP A 12 -5.841 10.474 0.740 1.00 0.00 N ATOM 159 CA ASP A 12 -6.003 11.834 0.159 1.00 0.00 C ATOM 160 C ASP A 12 -5.340 11.873 -1.218 1.00 0.00 C ATOM 161 O ASP A 12 -5.965 12.192 -2.209 1.00 0.00 O ATOM 162 CB ASP A 12 -5.334 12.861 1.073 1.00 0.00 C ATOM 163 CG ASP A 12 -6.404 13.637 1.841 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.166 14.346 1.205 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.445 13.509 3.054 1.00 0.00 O ATOM 0 H ASP A 12 -5.295 10.433 1.600 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.063 12.069 0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.663 12.360 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.726 13.547 0.483 1.00 0.00 H new ATOM 170 N TYR A 13 -4.077 11.549 -1.288 1.00 0.00 N ATOM 171 CA TYR A 13 -3.382 11.567 -2.606 1.00 0.00 C ATOM 172 C TYR A 13 -4.099 10.613 -3.561 1.00 0.00 C ATOM 173 O TYR A 13 -3.976 10.710 -4.766 1.00 0.00 O ATOM 174 CB TYR A 13 -1.931 11.116 -2.426 1.00 0.00 C ATOM 175 CG TYR A 13 -1.119 11.541 -3.626 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.076 10.731 -4.766 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.410 12.748 -3.599 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.323 11.126 -5.879 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.343 13.144 -4.711 1.00 0.00 C ATOM 180 CZ TYR A 13 0.386 12.333 -5.851 1.00 0.00 C ATOM 181 OH TYR A 13 1.128 12.723 -6.947 1.00 0.00 O ATOM 0 H TYR A 13 -3.499 11.274 -0.494 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.396 12.577 -3.015 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.514 11.552 -1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.887 10.033 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.624 9.801 -4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.444 13.374 -2.720 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.289 10.500 -6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.890 14.075 -4.689 1.00 0.00 H new ATOM 0 HH TYR A 13 0.596 13.329 -7.504 1.00 0.00 H new ATOM 191 N LEU A 14 -4.855 9.693 -3.025 1.00 0.00 N ATOM 192 CA LEU A 14 -5.590 8.729 -3.888 1.00 0.00 C ATOM 193 C LEU A 14 -6.760 9.452 -4.558 1.00 0.00 C ATOM 194 O LEU A 14 -6.810 9.579 -5.761 1.00 0.00 O ATOM 195 CB LEU A 14 -6.112 7.579 -3.025 1.00 0.00 C ATOM 196 CG LEU A 14 -5.063 6.463 -2.972 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.102 5.787 -1.600 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.363 5.422 -4.053 1.00 0.00 C ATOM 0 H LEU A 14 -4.995 9.569 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.926 8.329 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.330 7.936 -2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.046 7.196 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.076 6.892 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.355 4.994 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.887 6.523 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.092 5.362 -1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.615 4.630 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.352 4.996 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.335 5.897 -5.034 1.00 0.00 H new ATOM 210 N GLN A 15 -7.698 9.934 -3.794 1.00 0.00 N ATOM 211 CA GLN A 15 -8.850 10.659 -4.407 1.00 0.00 C ATOM 212 C GLN A 15 -8.377 12.023 -4.922 1.00 0.00 C ATOM 213 O GLN A 15 -9.120 12.750 -5.551 1.00 0.00 O ATOM 214 CB GLN A 15 -9.945 10.857 -3.358 1.00 0.00 C ATOM 215 CG GLN A 15 -10.515 9.495 -2.959 1.00 0.00 C ATOM 216 CD GLN A 15 -11.974 9.655 -2.528 1.00 0.00 C ATOM 217 OE1 GLN A 15 -12.348 9.254 -1.444 1.00 0.00 O ATOM 218 NE2 GLN A 15 -12.821 10.230 -3.338 1.00 0.00 N ATOM 0 H GLN A 15 -7.720 9.860 -2.777 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.248 10.076 -5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.539 11.365 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.736 11.492 -3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.447 8.801 -3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.929 9.069 -2.144 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.508 10.567 -4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.796 10.342 -3.061 1.00 0.00 H new ATOM 227 N THR A 16 -7.148 12.380 -4.654 1.00 0.00 N ATOM 228 CA THR A 16 -6.632 13.700 -5.121 1.00 0.00 C ATOM 229 C THR A 16 -5.984 13.552 -6.493 1.00 0.00 C ATOM 230 O THR A 16 -6.460 14.072 -7.483 1.00 0.00 O ATOM 231 CB THR A 16 -5.595 14.224 -4.124 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.232 14.506 -2.886 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.956 15.501 -4.675 1.00 0.00 C ATOM 0 H THR A 16 -6.479 11.814 -4.132 1.00 0.00 H new ATOM 0 HA THR A 16 -7.463 14.402 -5.192 1.00 0.00 H new ATOM 0 HB THR A 16 -4.822 13.471 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.464 13.666 -2.438 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.218 15.874 -3.965 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.468 15.283 -5.625 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.726 16.257 -4.828 1.00 0.00 H new ATOM 241 N TYR A 17 -4.899 12.849 -6.551 1.00 0.00 N ATOM 242 CA TYR A 17 -4.196 12.653 -7.852 1.00 0.00 C ATOM 243 C TYR A 17 -4.753 11.410 -8.547 1.00 0.00 C ATOM 244 O TYR A 17 -4.481 11.156 -9.704 1.00 0.00 O ATOM 245 CB TYR A 17 -2.698 12.466 -7.600 1.00 0.00 C ATOM 246 CG TYR A 17 -2.096 13.770 -7.131 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.127 14.107 -5.773 1.00 0.00 C ATOM 248 CD2 TYR A 17 -1.506 14.641 -8.056 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.569 15.316 -5.339 1.00 0.00 C ATOM 250 CE2 TYR A 17 -0.947 15.849 -7.621 1.00 0.00 C ATOM 251 CZ TYR A 17 -0.979 16.187 -6.263 1.00 0.00 C ATOM 252 OH TYR A 17 -0.428 17.377 -5.835 1.00 0.00 O ATOM 0 H TYR A 17 -4.459 12.395 -5.750 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.352 13.527 -8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.539 11.690 -6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.204 12.133 -8.513 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.581 13.435 -5.060 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.482 14.381 -9.104 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.594 15.577 -4.291 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.491 16.520 -8.334 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.060 17.862 -6.603 1.00 0.00 H new ATOM 262 N HIS A 18 -5.533 10.635 -7.847 1.00 0.00 N ATOM 263 CA HIS A 18 -6.116 9.406 -8.453 1.00 0.00 C ATOM 264 C HIS A 18 -4.992 8.449 -8.845 1.00 0.00 C ATOM 265 O HIS A 18 -4.890 8.016 -9.976 1.00 0.00 O ATOM 266 CB HIS A 18 -6.943 9.789 -9.680 1.00 0.00 C ATOM 267 CG HIS A 18 -8.236 10.397 -9.213 1.00 0.00 C ATOM 268 ND1 HIS A 18 -8.614 10.914 -7.998 1.00 0.00 N flip ATOM 269 CD2 HIS A 18 -9.346 10.513 -10.036 1.00 0.00 C flip ATOM 270 CE1 HIS A 18 -9.936 11.343 -8.061 1.00 0.00 C flip ATOM 271 NE2 HIS A 18 -10.329 11.078 -9.309 1.00 0.00 N flip ATOM 0 H HIS A 18 -5.793 10.801 -6.875 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.764 8.909 -7.731 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.394 10.497 -10.301 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.138 8.910 -10.295 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.410 10.207 -11.070 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.519 11.793 -7.271 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.262 11.279 -9.669 1.00 0.00 H new ATOM 279 N LYS A 19 -4.149 8.121 -7.905 1.00 0.00 N ATOM 280 CA LYS A 19 -3.016 7.193 -8.182 1.00 0.00 C ATOM 281 C LYS A 19 -1.983 7.339 -7.063 1.00 0.00 C ATOM 282 O LYS A 19 -1.584 8.433 -6.720 1.00 0.00 O ATOM 283 CB LYS A 19 -2.365 7.545 -9.524 1.00 0.00 C ATOM 284 CG LYS A 19 -2.173 9.061 -9.622 1.00 0.00 C ATOM 285 CD LYS A 19 -1.326 9.388 -10.853 1.00 0.00 C ATOM 286 CE LYS A 19 -2.179 9.231 -12.114 1.00 0.00 C ATOM 287 NZ LYS A 19 -1.525 8.262 -13.038 1.00 0.00 N ATOM 0 H LYS A 19 -4.198 8.461 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.384 6.168 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.403 7.040 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.990 7.194 -10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.141 9.557 -9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.686 9.436 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.943 10.406 -10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.462 8.725 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.177 8.881 -11.850 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.299 10.196 -12.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.104 8.155 -13.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.582 8.614 -13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.432 7.340 -12.565 1.00 0.00 H new ATOM 301 N LEU A 20 -1.551 6.249 -6.487 1.00 0.00 N ATOM 302 CA LEU A 20 -0.548 6.340 -5.387 1.00 0.00 C ATOM 303 C LEU A 20 0.532 7.352 -5.776 1.00 0.00 C ATOM 304 O LEU A 20 0.841 7.508 -6.942 1.00 0.00 O ATOM 305 CB LEU A 20 0.095 4.969 -5.161 1.00 0.00 C ATOM 306 CG LEU A 20 -0.925 4.024 -4.522 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.237 2.710 -4.146 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.500 4.674 -3.262 1.00 0.00 C ATOM 0 H LEU A 20 -1.848 5.304 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.041 6.661 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.443 4.558 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.969 5.067 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.729 3.824 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.963 2.036 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.176 2.246 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.567 2.910 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.227 4.002 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.695 4.872 -2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.989 5.612 -3.527 1.00 0.00 H new ATOM 320 N PRO A 21 1.076 8.014 -4.788 1.00 0.00 N ATOM 321 CA PRO A 21 2.126 9.022 -5.007 1.00 0.00 C ATOM 322 C PRO A 21 3.252 8.446 -5.863 1.00 0.00 C ATOM 323 O PRO A 21 3.376 7.247 -6.018 1.00 0.00 O ATOM 324 CB PRO A 21 2.634 9.362 -3.600 1.00 0.00 C ATOM 325 CG PRO A 21 1.648 8.727 -2.586 1.00 0.00 C ATOM 326 CD PRO A 21 0.698 7.811 -3.377 1.00 0.00 C ATOM 0 HA PRO A 21 1.755 9.900 -5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.641 8.973 -3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.685 10.442 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.189 8.157 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.087 9.500 -2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.815 6.768 -3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.345 8.077 -3.204 1.00 0.00 H new ATOM 334 N ASP A 22 4.078 9.290 -6.414 1.00 0.00 N ATOM 335 CA ASP A 22 5.200 8.789 -7.252 1.00 0.00 C ATOM 336 C ASP A 22 6.220 8.090 -6.354 1.00 0.00 C ATOM 337 O ASP A 22 7.164 7.486 -6.824 1.00 0.00 O ATOM 338 CB ASP A 22 5.868 9.961 -7.973 1.00 0.00 C ATOM 339 CG ASP A 22 5.829 9.722 -9.483 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.933 8.575 -9.885 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.694 10.691 -10.212 1.00 0.00 O ATOM 0 H ASP A 22 4.024 10.304 -6.320 1.00 0.00 H new ATOM 0 HA ASP A 22 4.819 8.086 -7.992 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.356 10.892 -7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.900 10.067 -7.638 1.00 0.00 H new ATOM 346 N ASN A 23 6.037 8.166 -5.064 1.00 0.00 N ATOM 347 CA ASN A 23 6.997 7.505 -4.138 1.00 0.00 C ATOM 348 C ASN A 23 6.507 6.090 -3.819 1.00 0.00 C ATOM 349 O ASN A 23 7.109 5.377 -3.041 1.00 0.00 O ATOM 350 CB ASN A 23 7.096 8.314 -2.843 1.00 0.00 C ATOM 351 CG ASN A 23 5.698 8.753 -2.406 1.00 0.00 C ATOM 352 OD1 ASN A 23 4.864 7.930 -2.085 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.404 10.024 -2.380 1.00 0.00 N ATOM 0 H ASN A 23 5.265 8.657 -4.613 1.00 0.00 H new ATOM 0 HA ASN A 23 7.978 7.452 -4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.561 7.713 -2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.732 9.186 -2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.474 10.327 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.104 10.715 -2.649 1.00 0.00 H new ATOM 360 N TYR A 24 5.418 5.676 -4.409 1.00 0.00 N ATOM 361 CA TYR A 24 4.898 4.308 -4.129 1.00 0.00 C ATOM 362 C TYR A 24 5.317 3.356 -5.247 1.00 0.00 C ATOM 363 O TYR A 24 4.643 3.224 -6.250 1.00 0.00 O ATOM 364 CB TYR A 24 3.372 4.342 -4.038 1.00 0.00 C ATOM 365 CG TYR A 24 2.968 4.523 -2.598 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.842 3.409 -1.760 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.727 5.806 -2.098 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.475 3.580 -0.419 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.361 5.979 -0.758 1.00 0.00 C ATOM 370 CZ TYR A 24 2.235 4.866 0.081 1.00 0.00 C ATOM 371 OH TYR A 24 1.874 5.037 1.402 1.00 0.00 O ATOM 0 H TYR A 24 4.868 6.224 -5.070 1.00 0.00 H new ATOM 0 HA TYR A 24 5.310 3.959 -3.182 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.977 5.157 -4.645 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.951 3.418 -4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.028 2.418 -2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.823 6.665 -2.746 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.377 2.721 0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.176 6.971 -0.372 1.00 0.00 H new ATOM 0 HH TYR A 24 1.312 4.286 1.687 1.00 0.00 H new ATOM 381 N ILE A 25 6.420 2.683 -5.080 1.00 0.00 N ATOM 382 CA ILE A 25 6.875 1.730 -6.126 1.00 0.00 C ATOM 383 C ILE A 25 6.468 0.315 -5.718 1.00 0.00 C ATOM 384 O ILE A 25 6.874 -0.183 -4.687 1.00 0.00 O ATOM 385 CB ILE A 25 8.397 1.812 -6.269 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.058 1.479 -4.929 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.794 3.228 -6.691 1.00 0.00 C ATOM 388 CD1 ILE A 25 9.958 0.253 -5.093 1.00 0.00 C ATOM 0 H ILE A 25 7.026 2.753 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 25 6.416 1.982 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 25 8.727 1.099 -7.024 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.644 2.329 -4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.296 1.285 -4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.878 3.287 -6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.326 3.468 -7.646 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.461 3.940 -5.935 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.428 0.017 -4.139 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.360 -0.596 -5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.728 0.464 -5.835 1.00 0.00 H new ATOM 400 N THR A 26 5.659 -0.335 -6.510 1.00 0.00 N ATOM 401 CA THR A 26 5.223 -1.714 -6.155 1.00 0.00 C ATOM 402 C THR A 26 6.431 -2.518 -5.675 1.00 0.00 C ATOM 403 O THR A 26 7.562 -2.093 -5.807 1.00 0.00 O ATOM 404 CB THR A 26 4.609 -2.390 -7.383 1.00 0.00 C ATOM 405 OG1 THR A 26 5.631 -2.669 -8.329 1.00 0.00 O ATOM 406 CG2 THR A 26 3.566 -1.463 -8.008 1.00 0.00 C ATOM 0 H THR A 26 5.282 0.029 -7.385 1.00 0.00 H new ATOM 0 HA THR A 26 4.478 -1.668 -5.361 1.00 0.00 H new ATOM 0 HB THR A 26 4.129 -3.322 -7.085 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.239 -3.104 -9.115 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.129 -1.945 -8.883 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.783 -1.253 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.042 -0.529 -8.308 1.00 0.00 H new ATOM 414 N LYS A 27 6.207 -3.675 -5.119 1.00 0.00 N ATOM 415 CA LYS A 27 7.364 -4.487 -4.636 1.00 0.00 C ATOM 416 C LYS A 27 8.210 -4.913 -5.832 1.00 0.00 C ATOM 417 O LYS A 27 9.420 -4.823 -5.808 1.00 0.00 O ATOM 418 CB LYS A 27 6.903 -5.738 -3.869 1.00 0.00 C ATOM 419 CG LYS A 27 5.406 -5.674 -3.554 1.00 0.00 C ATOM 420 CD LYS A 27 5.024 -6.845 -2.644 1.00 0.00 C ATOM 421 CE LYS A 27 4.033 -7.756 -3.371 1.00 0.00 C ATOM 422 NZ LYS A 27 3.050 -8.302 -2.394 1.00 0.00 N ATOM 0 H LYS A 27 5.287 -4.092 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 27 7.948 -3.870 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.115 -6.629 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.469 -5.828 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.166 -4.729 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.827 -5.713 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.915 -7.408 -2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.581 -6.472 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.515 -7.198 -4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.565 -8.571 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.376 -8.921 -2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.552 -8.848 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.534 -7.518 -1.945 1.00 0.00 H new ATOM 436 N SER A 28 7.588 -5.364 -6.888 1.00 0.00 N ATOM 437 CA SER A 28 8.373 -5.776 -8.083 1.00 0.00 C ATOM 438 C SER A 28 9.265 -4.607 -8.496 1.00 0.00 C ATOM 439 O SER A 28 10.412 -4.778 -8.867 1.00 0.00 O ATOM 440 CB SER A 28 7.423 -6.127 -9.228 1.00 0.00 C ATOM 441 OG SER A 28 6.479 -7.090 -8.778 1.00 0.00 O ATOM 0 H SER A 28 6.577 -5.464 -6.973 1.00 0.00 H new ATOM 0 HA SER A 28 8.981 -6.650 -7.850 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.908 -5.231 -9.576 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.986 -6.521 -10.075 1.00 0.00 H new ATOM 0 HG SER A 28 5.868 -7.316 -9.510 1.00 0.00 H new ATOM 447 N GLU A 29 8.745 -3.413 -8.419 1.00 0.00 N ATOM 448 CA GLU A 29 9.556 -2.226 -8.790 1.00 0.00 C ATOM 449 C GLU A 29 10.800 -2.185 -7.907 1.00 0.00 C ATOM 450 O GLU A 29 11.885 -1.884 -8.360 1.00 0.00 O ATOM 451 CB GLU A 29 8.733 -0.953 -8.579 1.00 0.00 C ATOM 452 CG GLU A 29 8.095 -0.534 -9.904 1.00 0.00 C ATOM 453 CD GLU A 29 8.308 0.965 -10.124 1.00 0.00 C ATOM 454 OE1 GLU A 29 7.757 1.740 -9.360 1.00 0.00 O ATOM 455 OE2 GLU A 29 9.019 1.312 -11.052 1.00 0.00 O ATOM 0 H GLU A 29 7.793 -3.211 -8.115 1.00 0.00 H new ATOM 0 HA GLU A 29 9.848 -2.290 -9.838 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.961 -1.126 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.370 -0.154 -8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.535 -1.099 -10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.029 -0.763 -9.895 1.00 0.00 H new ATOM 462 N ALA A 30 10.658 -2.503 -6.647 1.00 0.00 N ATOM 463 CA ALA A 30 11.846 -2.495 -5.754 1.00 0.00 C ATOM 464 C ALA A 30 12.807 -3.586 -6.219 1.00 0.00 C ATOM 465 O ALA A 30 14.008 -3.405 -6.237 1.00 0.00 O ATOM 466 CB ALA A 30 11.413 -2.768 -4.312 1.00 0.00 C ATOM 0 H ALA A 30 9.778 -2.765 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 30 12.336 -1.522 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.288 -2.761 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.715 -1.996 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.927 -3.742 -4.256 1.00 0.00 H new ATOM 472 N GLN A 31 12.283 -4.714 -6.613 1.00 0.00 N ATOM 473 CA GLN A 31 13.162 -5.811 -7.095 1.00 0.00 C ATOM 474 C GLN A 31 13.951 -5.305 -8.300 1.00 0.00 C ATOM 475 O GLN A 31 15.096 -5.660 -8.500 1.00 0.00 O ATOM 476 CB GLN A 31 12.305 -7.011 -7.507 1.00 0.00 C ATOM 477 CG GLN A 31 11.811 -7.739 -6.256 1.00 0.00 C ATOM 478 CD GLN A 31 11.788 -9.246 -6.519 1.00 0.00 C ATOM 479 OE1 GLN A 31 12.691 -9.957 -6.128 1.00 0.00 O ATOM 480 NE2 GLN A 31 10.783 -9.765 -7.172 1.00 0.00 N ATOM 0 H GLN A 31 11.284 -4.921 -6.621 1.00 0.00 H new ATOM 0 HA GLN A 31 13.846 -6.119 -6.304 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.457 -6.677 -8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.887 -7.690 -8.130 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.463 -7.516 -5.411 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.813 -7.390 -5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.025 -9.167 -7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.756 -10.768 -7.354 1.00 0.00 H new ATOM 489 N ALA A 32 13.346 -4.475 -9.106 1.00 0.00 N ATOM 490 CA ALA A 32 14.058 -3.942 -10.293 1.00 0.00 C ATOM 491 C ALA A 32 15.318 -3.211 -9.841 1.00 0.00 C ATOM 492 O ALA A 32 16.344 -3.243 -10.492 1.00 0.00 O ATOM 493 CB ALA A 32 13.145 -2.975 -11.050 1.00 0.00 C ATOM 0 H ALA A 32 12.388 -4.145 -8.990 1.00 0.00 H new ATOM 0 HA ALA A 32 14.332 -4.765 -10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.671 -2.585 -11.922 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.247 -3.501 -11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.866 -2.150 -10.395 1.00 0.00 H new ATOM 499 N LEU A 33 15.237 -2.550 -8.731 1.00 0.00 N ATOM 500 CA LEU A 33 16.412 -1.797 -8.208 1.00 0.00 C ATOM 501 C LEU A 33 17.363 -2.744 -7.477 1.00 0.00 C ATOM 502 O LEU A 33 18.505 -2.419 -7.218 1.00 0.00 O ATOM 503 CB LEU A 33 15.917 -0.718 -7.258 1.00 0.00 C ATOM 504 CG LEU A 33 15.076 0.268 -8.058 1.00 0.00 C ATOM 505 CD1 LEU A 33 13.592 -0.001 -7.809 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.433 1.689 -7.633 1.00 0.00 C ATOM 0 H LEU A 33 14.399 -2.495 -8.152 1.00 0.00 H new ATOM 0 HA LEU A 33 16.953 -1.340 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.326 -1.159 -6.456 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.759 -0.208 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 33 15.279 0.149 -9.122 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.993 0.706 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.349 -1.017 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.374 0.116 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.834 2.400 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.229 1.813 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.491 1.871 -7.824 1.00 0.00 H new ATOM 518 N GLY A 34 16.899 -3.912 -7.144 1.00 0.00 N ATOM 519 CA GLY A 34 17.770 -4.888 -6.429 1.00 0.00 C ATOM 520 C GLY A 34 17.252 -5.095 -5.004 1.00 0.00 C ATOM 521 O GLY A 34 18.008 -5.108 -4.054 1.00 0.00 O ATOM 0 H GLY A 34 15.951 -4.237 -7.336 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.783 -5.838 -6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 34 18.797 -4.523 -6.403 1.00 0.00 H new ATOM 525 N TRP A 35 15.967 -5.253 -4.847 1.00 0.00 N ATOM 526 CA TRP A 35 15.398 -5.455 -3.483 1.00 0.00 C ATOM 527 C TRP A 35 14.914 -6.903 -3.347 1.00 0.00 C ATOM 528 O TRP A 35 14.113 -7.376 -4.127 1.00 0.00 O ATOM 529 CB TRP A 35 14.232 -4.475 -3.279 1.00 0.00 C ATOM 530 CG TRP A 35 13.262 -4.996 -2.261 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.444 -4.966 -0.921 1.00 0.00 C ATOM 532 CD2 TRP A 35 11.963 -5.617 -2.484 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.337 -5.526 -0.307 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.397 -5.943 -1.230 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.228 -5.925 -3.642 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.145 -6.552 -1.130 1.00 0.00 C ATOM 537 CZ3 TRP A 35 9.969 -6.538 -3.544 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.429 -6.851 -2.291 1.00 0.00 C ATOM 0 H TRP A 35 15.285 -5.251 -5.605 1.00 0.00 H new ATOM 0 HA TRP A 35 16.157 -5.267 -2.724 1.00 0.00 H new ATOM 0 HB2 TRP A 35 14.618 -3.508 -2.957 1.00 0.00 H new ATOM 0 HB3 TRP A 35 13.718 -4.314 -4.227 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.311 -4.570 -0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.228 -5.619 0.703 1.00 0.00 H new ATOM 0 HE3 TRP A 35 11.635 -5.688 -4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 9.733 -6.790 -0.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.414 -6.770 -4.441 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.460 -7.323 -2.222 1.00 0.00 H new ATOM 549 N VAL A 36 15.394 -7.605 -2.357 1.00 0.00 N ATOM 550 CA VAL A 36 14.958 -9.017 -2.166 1.00 0.00 C ATOM 551 C VAL A 36 13.745 -9.044 -1.237 1.00 0.00 C ATOM 552 O VAL A 36 13.837 -8.717 -0.071 1.00 0.00 O ATOM 553 CB VAL A 36 16.098 -9.825 -1.543 1.00 0.00 C ATOM 554 CG1 VAL A 36 15.796 -11.318 -1.674 1.00 0.00 C ATOM 555 CG2 VAL A 36 17.406 -9.505 -2.271 1.00 0.00 C ATOM 0 H VAL A 36 16.068 -7.262 -1.673 1.00 0.00 H new ATOM 0 HA VAL A 36 14.693 -9.453 -3.129 1.00 0.00 H new ATOM 0 HB VAL A 36 16.194 -9.564 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.608 -11.894 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 36 14.864 -11.547 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.700 -11.579 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.219 -10.080 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.309 -9.766 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 36 17.622 -8.441 -2.179 1.00 0.00 H new ATOM 565 N ALA A 37 12.606 -9.425 -1.743 1.00 0.00 N ATOM 566 CA ALA A 37 11.388 -9.464 -0.887 1.00 0.00 C ATOM 567 C ALA A 37 11.571 -10.511 0.214 1.00 0.00 C ATOM 568 O ALA A 37 10.793 -10.588 1.144 1.00 0.00 O ATOM 569 CB ALA A 37 10.175 -9.827 -1.743 1.00 0.00 C ATOM 0 H ALA A 37 12.466 -9.711 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 37 11.231 -8.486 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.283 -9.856 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.045 -9.079 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.330 -10.805 -2.198 1.00 0.00 H new ATOM 615 N ASN A 41 15.276 -5.829 2.262 1.00 0.00 N ATOM 616 CA ASN A 41 16.401 -4.866 2.422 1.00 0.00 C ATOM 617 C ASN A 41 16.126 -3.618 1.580 1.00 0.00 C ATOM 618 O ASN A 41 17.004 -3.095 0.922 1.00 0.00 O ATOM 619 CB ASN A 41 17.706 -5.519 1.961 1.00 0.00 C ATOM 620 CG ASN A 41 17.435 -6.406 0.745 1.00 0.00 C ATOM 621 OD1 ASN A 41 16.818 -7.446 0.864 1.00 0.00 O ATOM 622 ND2 ASN A 41 17.875 -6.038 -0.427 1.00 0.00 N ATOM 0 HA ASN A 41 16.491 -4.584 3.471 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.438 -4.752 1.708 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.132 -6.113 2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.701 -6.623 -1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.393 -5.165 -0.526 1.00 0.00 H new ATOM 629 N LEU A 42 14.914 -3.135 1.597 1.00 0.00 N ATOM 630 CA LEU A 42 14.580 -1.922 0.800 1.00 0.00 C ATOM 631 C LEU A 42 15.501 -0.772 1.207 1.00 0.00 C ATOM 632 O LEU A 42 16.250 -0.250 0.410 1.00 0.00 O ATOM 633 CB LEU A 42 13.127 -1.523 1.065 1.00 0.00 C ATOM 634 CG LEU A 42 12.556 -0.813 -0.164 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.712 -1.711 -1.393 1.00 0.00 C ATOM 636 CD2 LEU A 42 11.073 -0.517 0.062 1.00 0.00 C ATOM 0 H LEU A 42 14.139 -3.530 2.130 1.00 0.00 H new ATOM 0 HA LEU A 42 14.714 -2.138 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.533 -2.407 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.072 -0.867 1.934 1.00 0.00 H new ATOM 0 HG LEU A 42 13.095 0.121 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.305 -1.204 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.768 -1.924 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.174 -2.645 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.665 -0.011 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.536 -1.452 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.959 0.123 0.937 1.00 0.00 H new ATOM 648 N ALA A 43 15.452 -0.374 2.446 1.00 0.00 N ATOM 649 CA ALA A 43 16.326 0.744 2.904 1.00 0.00 C ATOM 650 C ALA A 43 17.741 0.566 2.340 1.00 0.00 C ATOM 651 O ALA A 43 18.486 1.516 2.204 1.00 0.00 O ATOM 652 CB ALA A 43 16.385 0.750 4.433 1.00 0.00 C ATOM 0 H ALA A 43 14.846 -0.773 3.162 1.00 0.00 H new ATOM 0 HA ALA A 43 15.915 1.689 2.548 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.024 1.567 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.381 0.885 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.792 -0.198 4.785 1.00 0.00 H new ATOM 658 N ASP A 44 18.124 -0.642 2.024 1.00 0.00 N ATOM 659 CA ASP A 44 19.495 -0.875 1.487 1.00 0.00 C ATOM 660 C ASP A 44 19.545 -0.575 -0.017 1.00 0.00 C ATOM 661 O ASP A 44 20.423 0.121 -0.487 1.00 0.00 O ATOM 662 CB ASP A 44 19.889 -2.334 1.721 1.00 0.00 C ATOM 663 CG ASP A 44 21.361 -2.409 2.129 1.00 0.00 C ATOM 664 OD1 ASP A 44 21.659 -2.077 3.264 1.00 0.00 O ATOM 665 OD2 ASP A 44 22.166 -2.796 1.297 1.00 0.00 O ATOM 0 H ASP A 44 17.546 -1.478 2.115 1.00 0.00 H new ATOM 0 HA ASP A 44 20.189 -0.211 2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.263 -2.770 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.722 -2.916 0.815 1.00 0.00 H new ATOM 670 N VAL A 45 18.628 -1.107 -0.782 1.00 0.00 N ATOM 671 CA VAL A 45 18.659 -0.855 -2.256 1.00 0.00 C ATOM 672 C VAL A 45 17.743 0.320 -2.619 1.00 0.00 C ATOM 673 O VAL A 45 18.148 1.238 -3.303 1.00 0.00 O ATOM 674 CB VAL A 45 18.207 -2.113 -3.004 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.138 -3.275 -2.654 1.00 0.00 C ATOM 676 CG2 VAL A 45 16.775 -2.473 -2.601 1.00 0.00 C ATOM 0 H VAL A 45 17.865 -1.700 -0.455 1.00 0.00 H new ATOM 0 HA VAL A 45 19.679 -0.605 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 45 18.242 -1.923 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 45 18.817 -4.171 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.158 -3.025 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.103 -3.458 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.460 -3.369 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.735 -2.659 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.108 -1.648 -2.851 1.00 0.00 H new ATOM 686 N ALA A 46 16.516 0.303 -2.175 1.00 0.00 N ATOM 687 CA ALA A 46 15.591 1.425 -2.509 1.00 0.00 C ATOM 688 C ALA A 46 15.164 2.146 -1.225 1.00 0.00 C ATOM 689 O ALA A 46 14.062 1.958 -0.749 1.00 0.00 O ATOM 690 CB ALA A 46 14.353 0.869 -3.216 1.00 0.00 C ATOM 0 H ALA A 46 16.114 -0.436 -1.598 1.00 0.00 H new ATOM 0 HA ALA A 46 16.102 2.130 -3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.676 1.687 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.655 0.361 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.846 0.162 -2.559 1.00 0.00 H new ATOM 696 N PRO A 47 16.053 2.954 -0.703 1.00 0.00 N ATOM 697 CA PRO A 47 15.791 3.722 0.530 1.00 0.00 C ATOM 698 C PRO A 47 14.633 4.699 0.313 1.00 0.00 C ATOM 699 O PRO A 47 14.365 5.124 -0.792 1.00 0.00 O ATOM 700 CB PRO A 47 17.094 4.489 0.799 1.00 0.00 C ATOM 701 CG PRO A 47 18.080 4.162 -0.351 1.00 0.00 C ATOM 702 CD PRO A 47 17.387 3.166 -1.294 1.00 0.00 C ATOM 0 HA PRO A 47 15.511 3.079 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.904 5.561 0.846 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.518 4.198 1.760 1.00 0.00 H new ATOM 0 HG2 PRO A 47 18.355 5.070 -0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 47 19.001 3.735 0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.313 3.565 -2.306 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.943 2.231 -1.360 1.00 0.00 H new ATOM 710 N GLY A 48 13.948 5.061 1.364 1.00 0.00 N ATOM 711 CA GLY A 48 12.812 6.014 1.222 1.00 0.00 C ATOM 712 C GLY A 48 11.947 5.608 0.029 1.00 0.00 C ATOM 713 O GLY A 48 11.969 6.238 -1.010 1.00 0.00 O ATOM 0 H GLY A 48 14.127 4.737 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.213 6.020 2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.189 7.027 1.082 1.00 0.00 H new ATOM 717 N LYS A 49 11.182 4.561 0.168 1.00 0.00 N ATOM 718 CA LYS A 49 10.317 4.119 -0.959 1.00 0.00 C ATOM 719 C LYS A 49 9.114 3.348 -0.411 1.00 0.00 C ATOM 720 O LYS A 49 9.259 2.366 0.290 1.00 0.00 O ATOM 721 CB LYS A 49 11.120 3.216 -1.898 1.00 0.00 C ATOM 722 CG LYS A 49 11.327 3.931 -3.236 1.00 0.00 C ATOM 723 CD LYS A 49 12.399 3.203 -4.049 1.00 0.00 C ATOM 724 CE LYS A 49 12.606 3.927 -5.382 1.00 0.00 C ATOM 725 NZ LYS A 49 13.972 4.520 -5.420 1.00 0.00 N ATOM 0 H LYS A 49 11.119 3.993 1.013 1.00 0.00 H new ATOM 0 HA LYS A 49 9.966 4.992 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.083 2.972 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.593 2.274 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.391 3.959 -3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.627 4.965 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.335 3.171 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.098 2.171 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.478 3.230 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.856 4.708 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.112 5.012 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.078 5.198 -4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.681 3.765 -5.323 1.00 0.00 H new ATOM 739 N SER A 50 7.926 3.788 -0.724 1.00 0.00 N ATOM 740 CA SER A 50 6.710 3.087 -0.224 1.00 0.00 C ATOM 741 C SER A 50 6.297 2.007 -1.224 1.00 0.00 C ATOM 742 O SER A 50 6.212 2.244 -2.412 1.00 0.00 O ATOM 743 CB SER A 50 5.571 4.095 -0.067 1.00 0.00 C ATOM 744 OG SER A 50 6.115 5.397 0.106 1.00 0.00 O ATOM 0 H SER A 50 7.745 4.606 -1.306 1.00 0.00 H new ATOM 0 HA SER A 50 6.926 2.627 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.926 4.072 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.952 3.830 0.790 1.00 0.00 H new ATOM 0 HG SER A 50 5.387 6.045 0.205 1.00 0.00 H new ATOM 750 N ILE A 51 6.036 0.820 -0.752 1.00 0.00 N ATOM 751 CA ILE A 51 5.626 -0.274 -1.674 1.00 0.00 C ATOM 752 C ILE A 51 4.101 -0.289 -1.790 1.00 0.00 C ATOM 753 O ILE A 51 3.402 -0.633 -0.857 1.00 0.00 O ATOM 754 CB ILE A 51 6.107 -1.615 -1.120 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.599 -1.520 -0.787 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.885 -2.710 -2.166 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.419 -1.536 -2.080 1.00 0.00 C ATOM 0 H ILE A 51 6.089 0.561 0.233 1.00 0.00 H new ATOM 0 HA ILE A 51 6.067 -0.109 -2.657 1.00 0.00 H new ATOM 0 HB ILE A 51 5.547 -1.859 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.799 -0.605 -0.229 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.893 -2.353 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.228 -3.666 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.823 -2.776 -2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.445 -2.469 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.480 -1.468 -1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.228 -2.463 -2.620 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.133 -0.688 -2.702 1.00 0.00 H new ATOM 769 N GLY A 52 3.576 0.088 -2.924 1.00 0.00 N ATOM 770 CA GLY A 52 2.096 0.097 -3.087 1.00 0.00 C ATOM 771 C GLY A 52 1.742 0.129 -4.574 1.00 0.00 C ATOM 772 O GLY A 52 2.602 0.224 -5.426 1.00 0.00 O ATOM 0 H GLY A 52 4.106 0.389 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.663 -0.787 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.670 0.965 -2.583 1.00 0.00 H new ATOM 776 N GLY A 53 0.479 0.052 -4.889 1.00 0.00 N ATOM 777 CA GLY A 53 0.065 0.081 -6.321 1.00 0.00 C ATOM 778 C GLY A 53 0.064 -1.339 -6.887 1.00 0.00 C ATOM 779 O GLY A 53 0.357 -1.555 -8.046 1.00 0.00 O ATOM 0 H GLY A 53 -0.285 -0.030 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.928 0.520 -6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.746 0.710 -6.894 1.00 0.00 H new ATOM 783 N ASP A 54 -0.266 -2.311 -6.083 1.00 0.00 N ATOM 784 CA ASP A 54 -0.287 -3.715 -6.581 1.00 0.00 C ATOM 785 C ASP A 54 -1.606 -4.379 -6.181 1.00 0.00 C ATOM 786 O ASP A 54 -2.130 -4.140 -5.113 1.00 0.00 O ATOM 787 CB ASP A 54 0.877 -4.493 -5.969 1.00 0.00 C ATOM 788 CG ASP A 54 0.609 -4.730 -4.483 1.00 0.00 C ATOM 789 OD1 ASP A 54 -0.358 -5.406 -4.175 1.00 0.00 O ATOM 790 OD2 ASP A 54 1.376 -4.229 -3.675 1.00 0.00 O ATOM 0 H ASP A 54 -0.522 -2.194 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.193 -3.714 -7.667 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.001 -5.446 -6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.806 -3.938 -6.097 1.00 0.00 H new ATOM 795 N ILE A 55 -2.143 -5.213 -7.030 1.00 0.00 N ATOM 796 CA ILE A 55 -3.426 -5.893 -6.692 1.00 0.00 C ATOM 797 C ILE A 55 -3.363 -6.385 -5.243 1.00 0.00 C ATOM 798 O ILE A 55 -2.315 -6.740 -4.742 1.00 0.00 O ATOM 799 CB ILE A 55 -3.647 -7.072 -7.660 1.00 0.00 C ATOM 800 CG1 ILE A 55 -4.436 -6.589 -8.884 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.438 -8.194 -6.976 1.00 0.00 C ATOM 802 CD1 ILE A 55 -3.877 -5.248 -9.367 1.00 0.00 C ATOM 0 H ILE A 55 -1.750 -5.452 -7.940 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.261 -5.199 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.673 -7.455 -7.964 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.374 -7.328 -9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.491 -6.483 -8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.583 -9.016 -7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.886 -8.551 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.408 -7.813 -6.658 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.441 -4.910 -10.236 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.963 -4.510 -8.570 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.828 -5.368 -9.639 1.00 0.00 H new ATOM 814 N PHE A 56 -4.477 -6.407 -4.569 1.00 0.00 N ATOM 815 CA PHE A 56 -4.485 -6.871 -3.155 1.00 0.00 C ATOM 816 C PHE A 56 -5.013 -8.307 -3.099 1.00 0.00 C ATOM 817 O PHE A 56 -5.857 -8.700 -3.879 1.00 0.00 O ATOM 818 CB PHE A 56 -5.384 -5.943 -2.329 1.00 0.00 C ATOM 819 CG PHE A 56 -5.785 -6.621 -1.039 1.00 0.00 C ATOM 820 CD1 PHE A 56 -4.805 -7.102 -0.163 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.140 -6.765 -0.722 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.182 -7.726 1.032 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.517 -7.390 0.471 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.538 -7.870 1.350 1.00 0.00 C ATOM 0 H PHE A 56 -5.385 -6.123 -4.937 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.475 -6.848 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.858 -5.013 -2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.273 -5.680 -2.902 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.759 -6.992 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.895 -6.393 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.427 -8.097 1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.563 -7.503 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.829 -8.351 2.272 1.00 0.00 H new ATOM 905 N LYS A 62 -11.710 -10.131 2.570 1.00 0.00 N ATOM 906 CA LYS A 62 -11.769 -9.260 3.778 1.00 0.00 C ATOM 907 C LYS A 62 -12.188 -7.845 3.369 1.00 0.00 C ATOM 908 O LYS A 62 -12.374 -6.978 4.201 1.00 0.00 O ATOM 909 CB LYS A 62 -10.391 -9.215 4.442 1.00 0.00 C ATOM 910 CG LYS A 62 -10.075 -10.582 5.052 1.00 0.00 C ATOM 911 CD LYS A 62 -8.662 -10.567 5.637 1.00 0.00 C ATOM 912 CE LYS A 62 -8.738 -10.348 7.149 1.00 0.00 C ATOM 913 NZ LYS A 62 -8.625 -11.659 7.847 1.00 0.00 N ATOM 0 HA LYS A 62 -12.497 -9.663 4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.630 -8.947 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.373 -8.447 5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.800 -10.821 5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.157 -11.359 4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.157 -11.508 5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.073 -9.775 5.173 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.938 -9.682 7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.679 -9.865 7.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.677 -11.511 8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.404 -12.280 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.716 -12.103 7.607 1.00 0.00 H new ATOM 927 N LEU A 63 -12.341 -7.606 2.096 1.00 0.00 N ATOM 928 CA LEU A 63 -12.752 -6.251 1.634 1.00 0.00 C ATOM 929 C LEU A 63 -14.136 -6.340 0.981 1.00 0.00 C ATOM 930 O LEU A 63 -14.503 -7.370 0.452 1.00 0.00 O ATOM 931 CB LEU A 63 -11.740 -5.728 0.610 1.00 0.00 C ATOM 932 CG LEU A 63 -10.464 -5.280 1.325 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.313 -5.241 0.322 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.667 -3.880 1.911 1.00 0.00 C ATOM 0 H LEU A 63 -12.199 -8.292 1.355 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.789 -5.571 2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.507 -6.507 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.169 -4.894 0.055 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.233 -5.980 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.401 -4.922 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.165 -6.235 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.550 -4.538 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.757 -3.563 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.897 -3.179 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.492 -3.900 2.623 1.00 0.00 H new ATOM 946 N PRO A 64 -14.861 -5.253 1.039 1.00 0.00 N ATOM 947 CA PRO A 64 -16.214 -5.181 0.458 1.00 0.00 C ATOM 948 C PRO A 64 -16.155 -5.422 -1.053 1.00 0.00 C ATOM 949 O PRO A 64 -15.135 -5.222 -1.684 1.00 0.00 O ATOM 950 CB PRO A 64 -16.694 -3.755 0.759 1.00 0.00 C ATOM 951 CG PRO A 64 -15.561 -3.028 1.527 1.00 0.00 C ATOM 952 CD PRO A 64 -14.395 -4.014 1.686 1.00 0.00 C ATOM 0 HA PRO A 64 -16.885 -5.935 0.871 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.929 -3.227 -0.166 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.607 -3.777 1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.239 -2.140 0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.914 -2.693 2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.489 -3.636 1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.158 -4.181 2.737 1.00 0.00 H new ATOM 960 N GLY A 65 -17.240 -5.850 -1.638 1.00 0.00 N ATOM 961 CA GLY A 65 -17.244 -6.102 -3.106 1.00 0.00 C ATOM 962 C GLY A 65 -17.947 -7.430 -3.396 1.00 0.00 C ATOM 963 O GLY A 65 -18.447 -8.087 -2.505 1.00 0.00 O ATOM 0 H GLY A 65 -18.123 -6.036 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -17.753 -5.289 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.222 -6.130 -3.483 1.00 0.00 H new ATOM 1031 N THR A 70 -11.681 -6.718 -7.889 1.00 0.00 N ATOM 1032 CA THR A 70 -10.210 -6.542 -7.723 1.00 0.00 C ATOM 1033 C THR A 70 -9.941 -5.416 -6.724 1.00 0.00 C ATOM 1034 O THR A 70 -10.747 -4.522 -6.550 1.00 0.00 O ATOM 1035 CB THR A 70 -9.586 -6.185 -9.074 1.00 0.00 C ATOM 1036 OG1 THR A 70 -10.592 -6.197 -10.077 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.502 -7.205 -9.426 1.00 0.00 C ATOM 0 HA THR A 70 -9.771 -7.468 -7.352 1.00 0.00 H new ATOM 0 HB THR A 70 -9.141 -5.192 -9.016 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.476 -6.166 -9.654 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.060 -6.948 -10.388 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.729 -7.195 -8.657 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.943 -8.200 -9.484 1.00 0.00 H new ATOM 1045 N TRP A 71 -8.815 -5.448 -6.066 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.497 -4.377 -5.080 1.00 0.00 C ATOM 1047 C TRP A 71 -7.037 -3.954 -5.239 1.00 0.00 C ATOM 1048 O TRP A 71 -6.274 -4.571 -5.956 1.00 0.00 O ATOM 1049 CB TRP A 71 -8.715 -4.899 -3.658 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.147 -4.722 -3.271 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.163 -5.512 -3.680 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.738 -3.709 -2.405 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.342 -5.049 -3.123 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.132 -3.939 -2.329 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.206 -2.624 -1.686 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -12.969 -3.119 -1.566 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -11.044 -1.799 -0.917 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.422 -2.047 -0.858 1.00 0.00 C ATOM 0 H TRP A 71 -8.101 -6.170 -6.168 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.151 -3.523 -5.258 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.440 -5.952 -3.601 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.071 -4.363 -2.961 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.070 -6.366 -4.335 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.255 -5.476 -3.280 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.146 -2.423 -1.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.031 -3.313 -1.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.624 -0.969 -0.368 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.061 -1.409 -0.265 1.00 0.00 H new ATOM 1069 N ARG A 72 -6.643 -2.910 -4.569 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.233 -2.445 -4.667 1.00 0.00 C ATOM 1071 C ARG A 72 -4.704 -2.175 -3.259 1.00 0.00 C ATOM 1072 O ARG A 72 -5.423 -1.709 -2.398 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.174 -1.160 -5.491 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.763 -1.416 -6.878 1.00 0.00 C ATOM 1075 CD ARG A 72 -4.658 -1.295 -7.930 1.00 0.00 C ATOM 1076 NE ARG A 72 -5.264 -1.291 -9.291 1.00 0.00 N ATOM 1077 CZ ARG A 72 -4.561 -0.907 -10.322 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -3.345 -0.456 -10.158 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -5.072 -0.975 -11.521 1.00 0.00 N ATOM 0 H ARG A 72 -7.239 -2.356 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.624 -3.208 -5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.729 -0.368 -4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.142 -0.819 -5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.211 -2.409 -6.917 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.558 -0.700 -7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.089 -0.379 -7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.958 -2.125 -7.835 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.231 -1.589 -9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.942 -0.403 -9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.799 -0.157 -10.966 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.020 -1.328 -11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.523 -0.675 -12.327 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.460 -2.472 -3.010 1.00 0.00 N ATOM 1094 CA GLU A 73 -2.906 -2.237 -1.648 1.00 0.00 C ATOM 1095 C GLU A 73 -1.716 -1.278 -1.722 1.00 0.00 C ATOM 1096 O GLU A 73 -0.990 -1.241 -2.697 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.449 -3.569 -1.050 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.193 -4.050 -1.780 1.00 0.00 C ATOM 1099 CD GLU A 73 -1.008 -5.551 -1.546 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -1.893 -6.152 -0.958 1.00 0.00 O ATOM 1101 OE2 GLU A 73 0.014 -6.073 -1.957 1.00 0.00 O ATOM 0 H GLU A 73 -2.806 -2.865 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.680 -1.796 -1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.242 -3.451 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.242 -4.312 -1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.279 -3.846 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.320 -3.505 -1.421 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.507 -0.507 -0.690 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.361 0.442 -0.687 1.00 0.00 C ATOM 1110 C ALA A 74 0.287 0.450 0.698 1.00 0.00 C ATOM 1111 O ALA A 74 -0.377 0.297 1.705 1.00 0.00 O ATOM 1112 CB ALA A 74 -0.851 1.848 -1.027 1.00 0.00 C ATOM 0 H ALA A 74 -2.082 -0.494 0.152 1.00 0.00 H new ATOM 0 HA ALA A 74 0.369 0.127 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.007 2.538 -1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.312 1.844 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.584 2.167 -0.286 1.00 0.00 H new ATOM 1118 N ASP A 75 1.579 0.628 0.753 1.00 0.00 N ATOM 1119 CA ASP A 75 2.280 0.647 2.071 1.00 0.00 C ATOM 1120 C ASP A 75 1.814 1.855 2.883 1.00 0.00 C ATOM 1121 O ASP A 75 1.608 2.927 2.351 1.00 0.00 O ATOM 1122 CB ASP A 75 3.790 0.739 1.842 1.00 0.00 C ATOM 1123 CG ASP A 75 4.468 -0.521 2.387 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.977 -1.059 3.365 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.468 -0.925 1.816 1.00 0.00 O ATOM 0 H ASP A 75 2.181 0.761 -0.059 1.00 0.00 H new ATOM 0 HA ASP A 75 2.048 -0.267 2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.001 0.847 0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.190 1.623 2.338 1.00 0.00 H new ATOM 1130 N ILE A 76 1.644 1.694 4.167 1.00 0.00 N ATOM 1131 CA ILE A 76 1.189 2.841 5.001 1.00 0.00 C ATOM 1132 C ILE A 76 2.111 3.000 6.213 1.00 0.00 C ATOM 1133 O ILE A 76 2.280 2.089 6.999 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.241 2.587 5.478 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.180 2.544 4.271 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.673 3.716 6.416 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.345 3.954 3.701 1.00 0.00 C ATOM 0 H ILE A 76 1.800 0.822 4.672 1.00 0.00 H new ATOM 0 HA ILE A 76 1.219 3.753 4.405 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.284 1.636 6.008 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.778 1.877 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.150 2.144 4.566 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.693 3.536 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.004 3.751 7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.631 4.667 5.885 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.014 3.923 2.841 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.766 4.608 4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.373 4.337 3.391 1.00 0.00 H new ATOM 1149 N ASN A 77 2.705 4.152 6.369 1.00 0.00 N ATOM 1150 CA ASN A 77 3.612 4.378 7.531 1.00 0.00 C ATOM 1151 C ASN A 77 4.964 3.707 7.274 1.00 0.00 C ATOM 1152 O ASN A 77 5.529 3.080 8.147 1.00 0.00 O ATOM 1153 CB ASN A 77 2.985 3.786 8.795 1.00 0.00 C ATOM 1154 CG ASN A 77 1.482 4.073 8.806 1.00 0.00 C ATOM 1155 OD1 ASN A 77 0.679 3.161 8.833 1.00 0.00 O ATOM 1156 ND2 ASN A 77 1.065 5.310 8.786 1.00 0.00 N ATOM 0 H ASN A 77 2.601 4.948 5.740 1.00 0.00 H new ATOM 0 HA ASN A 77 3.760 5.450 7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.160 2.711 8.831 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.454 4.215 9.681 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.065 5.511 8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.739 6.075 8.763 1.00 0.00 H new ATOM 1163 N TYR A 78 5.489 3.835 6.086 1.00 0.00 N ATOM 1164 CA TYR A 78 6.798 3.207 5.784 1.00 0.00 C ATOM 1165 C TYR A 78 7.901 3.947 6.542 1.00 0.00 C ATOM 1166 O TYR A 78 7.806 5.133 6.792 1.00 0.00 O ATOM 1167 CB TYR A 78 7.072 3.281 4.280 1.00 0.00 C ATOM 1168 CG TYR A 78 8.226 2.371 3.935 1.00 0.00 C ATOM 1169 CD1 TYR A 78 9.541 2.852 3.997 1.00 0.00 C ATOM 1170 CD2 TYR A 78 7.983 1.046 3.553 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.610 2.006 3.678 1.00 0.00 C ATOM 1172 CE2 TYR A 78 9.054 0.202 3.234 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.367 0.682 3.296 1.00 0.00 C ATOM 1174 OH TYR A 78 11.422 -0.150 2.981 1.00 0.00 O ATOM 0 H TYR A 78 5.065 4.349 5.314 1.00 0.00 H new ATOM 0 HA TYR A 78 6.779 2.162 6.094 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.183 2.986 3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.304 4.306 3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.729 3.874 4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.970 0.675 3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.624 2.376 3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.866 -0.820 2.940 1.00 0.00 H new ATOM 0 HH TYR A 78 11.079 -1.035 2.738 1.00 0.00 H new ATOM 1184 N THR A 79 8.946 3.260 6.914 1.00 0.00 N ATOM 1185 CA THR A 79 10.048 3.929 7.658 1.00 0.00 C ATOM 1186 C THR A 79 11.375 3.272 7.300 1.00 0.00 C ATOM 1187 O THR A 79 12.152 3.786 6.521 1.00 0.00 O ATOM 1188 CB THR A 79 9.800 3.797 9.161 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.056 2.613 9.414 1.00 0.00 O ATOM 1190 CG2 THR A 79 9.016 5.011 9.660 1.00 0.00 C ATOM 0 H THR A 79 9.084 2.265 6.735 1.00 0.00 H new ATOM 0 HA THR A 79 10.082 4.984 7.387 1.00 0.00 H new ATOM 0 HB THR A 79 10.755 3.745 9.684 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.898 2.526 10.377 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.840 4.915 10.731 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.588 5.918 9.466 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.060 5.066 9.139 1.00 0.00 H new ATOM 1198 N SER A 80 11.634 2.141 7.873 1.00 0.00 N ATOM 1199 CA SER A 80 12.911 1.428 7.585 1.00 0.00 C ATOM 1200 C SER A 80 12.822 -0.012 8.096 1.00 0.00 C ATOM 1201 O SER A 80 11.913 -0.370 8.818 1.00 0.00 O ATOM 1202 CB SER A 80 14.063 2.147 8.287 1.00 0.00 C ATOM 1203 OG SER A 80 14.354 3.354 7.596 1.00 0.00 O ATOM 0 H SER A 80 11.016 1.671 8.534 1.00 0.00 H new ATOM 0 HA SER A 80 13.087 1.419 6.509 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.796 2.362 9.322 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.945 1.507 8.312 1.00 0.00 H new ATOM 0 HG SER A 80 13.730 3.461 6.848 1.00 0.00 H new ATOM 1209 N GLY A 81 13.761 -0.840 7.727 1.00 0.00 N ATOM 1210 CA GLY A 81 13.734 -2.256 8.191 1.00 0.00 C ATOM 1211 C GLY A 81 12.716 -3.047 7.366 1.00 0.00 C ATOM 1212 O GLY A 81 12.081 -2.519 6.476 1.00 0.00 O ATOM 0 H GLY A 81 14.546 -0.597 7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.724 -2.701 8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.472 -2.298 9.248 1.00 0.00 H new ATOM 1216 N PHE A 82 12.557 -4.310 7.657 1.00 0.00 N ATOM 1217 CA PHE A 82 11.579 -5.134 6.890 1.00 0.00 C ATOM 1218 C PHE A 82 10.284 -4.342 6.701 1.00 0.00 C ATOM 1219 O PHE A 82 10.057 -3.341 7.350 1.00 0.00 O ATOM 1220 CB PHE A 82 11.282 -6.422 7.663 1.00 0.00 C ATOM 1221 CG PHE A 82 11.911 -7.594 6.948 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.302 -7.746 6.940 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.101 -8.531 6.293 1.00 0.00 C ATOM 1224 CE1 PHE A 82 13.885 -8.834 6.277 1.00 0.00 C ATOM 1225 CE2 PHE A 82 11.683 -9.617 5.631 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.075 -9.770 5.623 1.00 0.00 C ATOM 0 H PHE A 82 13.061 -4.806 8.392 1.00 0.00 H new ATOM 0 HA PHE A 82 11.998 -5.383 5.915 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.674 -6.348 8.678 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.205 -6.569 7.747 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.927 -7.024 7.445 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.027 -8.415 6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.959 -8.950 6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.058 -10.338 5.125 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.523 -10.610 5.113 1.00 0.00 H new ATOM 1236 N ARG A 83 9.432 -4.781 5.814 1.00 0.00 N ATOM 1237 CA ARG A 83 8.153 -4.050 5.586 1.00 0.00 C ATOM 1238 C ARG A 83 7.456 -3.808 6.925 1.00 0.00 C ATOM 1239 O ARG A 83 7.905 -4.262 7.959 1.00 0.00 O ATOM 1240 CB ARG A 83 7.243 -4.883 4.681 1.00 0.00 C ATOM 1241 CG ARG A 83 7.293 -4.331 3.256 1.00 0.00 C ATOM 1242 CD ARG A 83 7.663 -5.454 2.286 1.00 0.00 C ATOM 1243 NE ARG A 83 6.721 -6.594 2.468 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.652 -7.533 1.564 1.00 0.00 C ATOM 1245 NH1 ARG A 83 7.605 -8.420 1.470 1.00 0.00 N ATOM 1246 NH2 ARG A 83 5.629 -7.587 0.754 1.00 0.00 N ATOM 0 H ARG A 83 9.566 -5.612 5.239 1.00 0.00 H new ATOM 0 HA ARG A 83 8.363 -3.093 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.561 -5.926 4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.220 -4.859 5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.326 -3.906 2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.024 -3.525 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.619 -5.092 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.687 -5.782 2.465 1.00 0.00 H new ATOM 0 HE ARG A 83 6.131 -6.641 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.404 -8.379 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.551 -9.154 0.764 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.883 -6.895 0.828 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.576 -8.321 0.048 1.00 0.00 H new ATOM 1260 N ASN A 84 6.361 -3.098 6.916 1.00 0.00 N ATOM 1261 CA ASN A 84 5.637 -2.830 8.190 1.00 0.00 C ATOM 1262 C ASN A 84 4.327 -3.620 8.208 1.00 0.00 C ATOM 1263 O ASN A 84 4.096 -4.477 7.378 1.00 0.00 O ATOM 1264 CB ASN A 84 5.331 -1.335 8.300 1.00 0.00 C ATOM 1265 CG ASN A 84 5.065 -0.762 6.907 1.00 0.00 C ATOM 1266 OD1 ASN A 84 5.818 0.203 6.456 1.00 0.00 O flip ATOM 1267 ND2 ASN A 84 4.162 -1.197 6.221 1.00 0.00 N flip ATOM 0 H ASN A 84 5.937 -2.692 6.082 1.00 0.00 H new ATOM 0 HA ASN A 84 6.259 -3.136 9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.464 -1.177 8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.169 -0.815 8.764 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.573 -1.952 6.572 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.993 -0.808 5.293 1.00 0.00 H new ATOM 1274 N SER A 85 3.467 -3.339 9.148 1.00 0.00 N ATOM 1275 CA SER A 85 2.174 -4.075 9.220 1.00 0.00 C ATOM 1276 C SER A 85 1.021 -3.113 8.923 1.00 0.00 C ATOM 1277 O SER A 85 -0.135 -3.449 9.087 1.00 0.00 O ATOM 1278 CB SER A 85 1.999 -4.664 10.620 1.00 0.00 C ATOM 1279 OG SER A 85 3.213 -4.518 11.346 1.00 0.00 O ATOM 0 H SER A 85 3.604 -2.631 9.869 1.00 0.00 H new ATOM 0 HA SER A 85 2.174 -4.880 8.485 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.187 -4.157 11.141 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.726 -5.717 10.553 1.00 0.00 H new ATOM 0 HG SER A 85 3.104 -4.893 12.245 1.00 0.00 H new ATOM 1285 N ASP A 86 1.324 -1.920 8.489 1.00 0.00 N ATOM 1286 CA ASP A 86 0.242 -0.943 8.185 1.00 0.00 C ATOM 1287 C ASP A 86 0.112 -0.777 6.671 1.00 0.00 C ATOM 1288 O ASP A 86 1.080 -0.541 5.973 1.00 0.00 O ATOM 1289 CB ASP A 86 0.578 0.409 8.819 1.00 0.00 C ATOM 1290 CG ASP A 86 0.658 0.254 10.338 1.00 0.00 C ATOM 1291 OD1 ASP A 86 -0.327 -0.159 10.925 1.00 0.00 O ATOM 1292 OD2 ASP A 86 1.705 0.552 10.889 1.00 0.00 O ATOM 0 H ASP A 86 2.273 -1.581 8.332 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.700 -1.310 8.592 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.527 0.779 8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.183 1.144 8.557 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.081 -0.899 6.155 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.275 -0.751 4.686 1.00 0.00 C ATOM 1299 C ARG A 87 -2.670 -0.201 4.399 1.00 0.00 C ATOM 1300 O ARG A 87 -3.482 -0.044 5.287 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.129 -2.116 4.013 1.00 0.00 C ATOM 1302 CG ARG A 87 0.013 -2.063 2.999 1.00 0.00 C ATOM 1303 CD ARG A 87 1.063 -3.110 3.360 1.00 0.00 C ATOM 1304 NE ARG A 87 1.943 -3.358 2.183 1.00 0.00 N ATOM 1305 CZ ARG A 87 3.079 -3.981 2.337 1.00 0.00 C ATOM 1306 NH1 ARG A 87 3.338 -4.600 3.456 1.00 0.00 N ATOM 1307 NH2 ARG A 87 3.957 -3.983 1.372 1.00 0.00 N ATOM 0 H ARG A 87 -1.929 -1.095 6.688 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.526 -0.063 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.930 -2.883 4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.059 -2.390 3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.369 -2.247 1.995 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.462 -1.070 2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.658 -2.767 4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.578 -4.037 3.666 1.00 0.00 H new ATOM 0 HE ARG A 87 1.657 -3.041 1.257 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.652 -4.597 4.211 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.226 -5.087 3.576 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.755 -3.498 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.845 -4.470 1.492 1.00 0.00 H new ATOM 1321 N ILE A 88 -2.955 0.087 3.162 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.302 0.620 2.808 1.00 0.00 C ATOM 1323 C ILE A 88 -4.788 -0.058 1.525 1.00 0.00 C ATOM 1324 O ILE A 88 -4.084 -0.116 0.536 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.218 2.135 2.606 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.629 2.722 2.545 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.487 2.442 1.302 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.547 4.202 2.165 1.00 0.00 C ATOM 0 H ILE A 88 -2.313 -0.023 2.377 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.006 0.412 3.614 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.673 2.578 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.229 2.180 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.124 2.610 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.430 3.522 1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.480 2.027 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.029 1.997 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.552 4.623 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.962 4.738 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.069 4.301 1.190 1.00 0.00 H new ATOM 1340 N LEU A 89 -5.981 -0.592 1.544 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.509 -1.288 0.336 1.00 0.00 C ATOM 1342 C LEU A 89 -7.524 -0.399 -0.389 1.00 0.00 C ATOM 1343 O LEU A 89 -8.663 -0.289 0.018 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.204 -2.585 0.763 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.167 -3.602 1.241 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.186 -3.896 0.108 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.403 -3.034 2.440 1.00 0.00 C ATOM 0 H LEU A 89 -6.612 -0.576 2.345 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.678 -1.507 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.918 -2.379 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.770 -2.996 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.672 -4.522 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.446 -4.621 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.728 -4.303 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.683 -2.975 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.665 -3.761 2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.898 -2.114 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.102 -2.823 3.250 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.135 0.215 -1.476 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.104 1.065 -2.226 1.00 0.00 C ATOM 1361 C TYR A 90 -8.644 0.259 -3.411 1.00 0.00 C ATOM 1362 O TYR A 90 -7.921 -0.479 -4.050 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.427 2.347 -2.727 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.219 2.015 -3.570 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.000 1.699 -2.957 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.313 2.040 -4.967 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.879 1.405 -3.740 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -5.190 1.748 -5.750 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.974 1.430 -5.137 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.867 1.141 -5.908 1.00 0.00 O ATOM 0 H TYR A 90 -6.197 0.165 -1.873 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.921 1.353 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.135 2.934 -3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.127 2.962 -1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.926 1.682 -1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.252 2.285 -5.440 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.940 1.159 -3.267 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.263 1.768 -6.827 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.747 1.841 -6.584 1.00 0.00 H new ATOM 1380 N SER A 91 -9.914 0.371 -3.696 1.00 0.00 N ATOM 1381 CA SER A 91 -10.493 -0.420 -4.826 1.00 0.00 C ATOM 1382 C SER A 91 -10.718 0.468 -6.053 1.00 0.00 C ATOM 1383 O SER A 91 -10.557 1.671 -6.005 1.00 0.00 O ATOM 1384 CB SER A 91 -11.828 -1.020 -4.389 1.00 0.00 C ATOM 1385 OG SER A 91 -11.794 -2.428 -4.577 1.00 0.00 O ATOM 0 H SER A 91 -10.573 0.971 -3.200 1.00 0.00 H new ATOM 0 HA SER A 91 -9.792 -1.211 -5.092 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.020 -0.786 -3.342 1.00 0.00 H new ATOM 0 HB3 SER A 91 -12.643 -0.584 -4.967 1.00 0.00 H new ATOM 0 HG SER A 91 -11.586 -2.867 -3.726 1.00 0.00 H new ATOM 1391 N SER A 92 -11.093 -0.129 -7.157 1.00 0.00 N ATOM 1392 CA SER A 92 -11.333 0.662 -8.397 1.00 0.00 C ATOM 1393 C SER A 92 -12.535 1.579 -8.191 1.00 0.00 C ATOM 1394 O SER A 92 -12.706 2.565 -8.879 1.00 0.00 O ATOM 1395 CB SER A 92 -11.604 -0.284 -9.568 1.00 0.00 C ATOM 1396 OG SER A 92 -12.327 -1.416 -9.100 1.00 0.00 O ATOM 0 H SER A 92 -11.243 -1.134 -7.250 1.00 0.00 H new ATOM 0 HA SER A 92 -10.451 1.263 -8.618 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.173 0.231 -10.342 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.664 -0.600 -10.020 1.00 0.00 H new ATOM 0 HG SER A 92 -12.504 -2.023 -9.848 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.357 1.270 -7.233 1.00 0.00 N ATOM 1403 CA ASP A 93 -14.536 2.122 -6.958 1.00 0.00 C ATOM 1404 C ASP A 93 -14.134 3.196 -5.947 1.00 0.00 C ATOM 1405 O ASP A 93 -14.964 3.828 -5.324 1.00 0.00 O ATOM 1406 CB ASP A 93 -15.673 1.269 -6.387 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.269 0.721 -5.018 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.112 0.862 -4.664 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.125 0.169 -4.347 1.00 0.00 O ATOM 0 H ASP A 93 -13.260 0.457 -6.625 1.00 0.00 H new ATOM 0 HA ASP A 93 -14.881 2.589 -7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.579 1.868 -6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.900 0.447 -7.066 1.00 0.00 H new ATOM 1414 N TRP A 94 -12.854 3.400 -5.788 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.357 4.422 -4.831 1.00 0.00 C ATOM 1416 C TRP A 94 -12.687 4.002 -3.401 1.00 0.00 C ATOM 1417 O TRP A 94 -12.847 4.827 -2.522 1.00 0.00 O ATOM 1418 CB TRP A 94 -12.984 5.782 -5.140 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.075 6.537 -6.058 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.477 7.266 -7.123 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.620 6.642 -6.016 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.364 7.813 -7.737 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.196 7.457 -7.092 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.634 6.116 -5.157 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -8.845 7.736 -7.308 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.278 6.396 -5.375 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -7.884 7.204 -6.449 1.00 0.00 C ATOM 0 H TRP A 94 -12.124 2.893 -6.289 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.275 4.505 -4.933 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.962 5.650 -5.603 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.140 6.343 -4.219 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.500 7.400 -7.443 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.402 8.407 -8.565 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -9.925 5.493 -4.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.546 8.361 -8.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.532 5.986 -4.710 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -6.837 7.415 -6.612 1.00 0.00 H new ATOM 1438 N LEU A 95 -12.762 2.725 -3.152 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.049 2.255 -1.770 1.00 0.00 C ATOM 1440 C LEU A 95 -11.727 2.191 -1.012 1.00 0.00 C ATOM 1441 O LEU A 95 -10.968 1.253 -1.156 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.673 0.856 -1.809 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.200 0.946 -1.730 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -15.774 -0.451 -1.493 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.613 1.859 -0.572 1.00 0.00 C ATOM 0 H LEU A 95 -12.637 1.987 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.745 2.937 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.380 0.346 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.295 0.260 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.583 1.355 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -16.861 -0.393 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.488 -1.106 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.382 -0.851 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.700 1.917 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.229 1.455 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.204 2.857 -0.731 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.431 3.185 -0.224 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.141 3.175 0.517 1.00 0.00 C ATOM 1459 C ILE A 96 -10.332 2.580 1.911 1.00 0.00 C ATOM 1460 O ILE A 96 -11.036 3.117 2.743 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.608 4.601 0.645 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -9.952 5.392 -0.619 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.089 4.553 0.820 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.284 6.768 -0.559 1.00 0.00 C ATOM 0 H ILE A 96 -12.023 4.000 -0.061 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.427 2.564 -0.036 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.063 5.087 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.614 4.850 -1.503 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.033 5.504 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.701 5.567 0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.844 3.988 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.638 4.069 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.529 7.331 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.643 7.309 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.203 6.645 -0.491 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.685 1.479 2.172 1.00 0.00 N ATOM 1477 CA TYR A 97 -9.792 0.842 3.510 1.00 0.00 C ATOM 1478 C TYR A 97 -8.406 0.856 4.154 1.00 0.00 C ATOM 1479 O TYR A 97 -7.403 0.922 3.474 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.275 -0.603 3.356 1.00 0.00 C ATOM 1481 CG TYR A 97 -11.767 -0.614 3.111 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.305 0.092 2.028 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.612 -1.330 3.968 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -13.686 0.084 1.802 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -13.995 -1.337 3.743 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.531 -0.630 2.659 1.00 0.00 C ATOM 1487 OH TYR A 97 -15.893 -0.634 2.437 1.00 0.00 O ATOM 0 H TYR A 97 -9.082 0.991 1.509 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.504 1.385 4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.756 -1.084 2.527 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.039 -1.174 4.254 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -11.653 0.643 1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.198 -1.877 4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.100 0.629 0.966 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.647 -1.887 4.405 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.078 -0.304 1.533 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.328 0.810 5.452 1.00 0.00 N ATOM 1498 CA LYS A 98 -6.989 0.834 6.104 1.00 0.00 C ATOM 1499 C LYS A 98 -6.809 -0.422 6.960 1.00 0.00 C ATOM 1500 O LYS A 98 -7.764 -1.011 7.428 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.874 2.076 6.990 1.00 0.00 C ATOM 1502 CG LYS A 98 -7.951 2.028 8.075 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.431 2.711 9.341 1.00 0.00 C ATOM 1504 CE LYS A 98 -8.258 3.967 9.621 1.00 0.00 C ATOM 1505 NZ LYS A 98 -7.361 5.158 9.638 1.00 0.00 N ATOM 0 H LYS A 98 -9.125 0.757 6.087 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.215 0.861 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.885 2.121 7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.989 2.977 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.856 2.525 7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.219 0.994 8.291 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.492 2.027 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.380 2.974 9.219 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.026 4.088 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.772 3.872 10.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.922 6.013 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.644 5.042 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.890 5.251 8.715 1.00 0.00 H new ATOM 1519 N THR A 99 -5.588 -0.828 7.171 1.00 0.00 N ATOM 1520 CA THR A 99 -5.327 -2.038 8.000 1.00 0.00 C ATOM 1521 C THR A 99 -4.094 -1.788 8.872 1.00 0.00 C ATOM 1522 O THR A 99 -3.036 -1.449 8.380 1.00 0.00 O ATOM 1523 CB THR A 99 -5.070 -3.241 7.090 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.282 -4.195 7.787 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.333 -2.789 5.829 1.00 0.00 C ATOM 0 H THR A 99 -4.754 -0.370 6.802 1.00 0.00 H new ATOM 0 HA THR A 99 -6.192 -2.243 8.630 1.00 0.00 H new ATOM 0 HB THR A 99 -6.021 -3.690 6.805 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.748 -4.470 8.604 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.153 -3.650 5.185 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.940 -2.057 5.296 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.380 -2.338 6.106 1.00 0.00 H new ATOM 1533 N THR A 100 -4.221 -1.947 10.161 1.00 0.00 N ATOM 1534 CA THR A 100 -3.052 -1.709 11.054 1.00 0.00 C ATOM 1535 C THR A 100 -2.572 -3.037 11.644 1.00 0.00 C ATOM 1536 O THR A 100 -2.035 -3.084 12.734 1.00 0.00 O ATOM 1537 CB THR A 100 -3.461 -0.765 12.187 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.875 -0.630 12.202 1.00 0.00 O ATOM 1539 CG2 THR A 100 -2.818 0.606 11.968 1.00 0.00 C ATOM 0 H THR A 100 -5.080 -2.230 10.633 1.00 0.00 H new ATOM 0 HA THR A 100 -2.244 -1.259 10.477 1.00 0.00 H new ATOM 0 HB THR A 100 -3.125 -1.174 13.140 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.138 -0.027 12.928 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.110 1.278 12.775 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.733 0.501 11.957 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.153 1.017 11.015 1.00 0.00 H new ATOM 1547 N ASP A 101 -2.757 -4.118 10.936 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.306 -5.437 11.462 1.00 0.00 C ATOM 1549 C ASP A 101 -1.935 -6.357 10.297 1.00 0.00 C ATOM 1550 O ASP A 101 -1.917 -7.564 10.429 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.433 -6.074 12.276 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.782 -5.698 11.662 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -4.833 -5.519 10.457 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.742 -5.594 12.408 1.00 0.00 O ATOM 0 H ASP A 101 -3.200 -4.144 10.018 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.434 -5.292 12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.318 -7.158 12.290 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.385 -5.735 13.311 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.643 -5.797 9.154 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.277 -6.642 7.983 1.00 0.00 C ATOM 1561 C HIS A 102 -2.544 -7.267 7.396 1.00 0.00 C ATOM 1562 O HIS A 102 -2.786 -8.450 7.533 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.319 -7.750 8.427 1.00 0.00 C ATOM 1564 CG HIS A 102 0.568 -8.133 7.276 1.00 0.00 C ATOM 1565 ND1 HIS A 102 0.676 -9.440 6.829 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.392 -7.391 6.466 1.00 0.00 C ATOM 1567 CE1 HIS A 102 1.536 -9.445 5.794 1.00 0.00 C ATOM 1568 NE2 HIS A 102 2.002 -8.221 5.531 1.00 0.00 N ATOM 0 H HIS A 102 -1.642 -4.792 8.981 1.00 0.00 H new ATOM 0 HA HIS A 102 -0.789 -6.026 7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.285 -7.409 9.268 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -0.883 -8.617 8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.544 -6.324 6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.815 -10.331 5.243 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.663 -7.953 4.802 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.354 -6.479 6.745 1.00 0.00 N ATOM 1577 CA TYR A 103 -4.608 -7.021 6.150 1.00 0.00 C ATOM 1578 C TYR A 103 -5.375 -7.826 7.204 1.00 0.00 C ATOM 1579 O TYR A 103 -6.206 -8.650 6.881 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.262 -7.929 4.969 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.118 -7.326 4.190 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.317 -6.156 3.450 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -1.859 -7.937 4.209 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.258 -5.595 2.728 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -0.798 -7.376 3.488 1.00 0.00 C ATOM 1586 CZ TYR A 103 -0.998 -6.204 2.747 1.00 0.00 C ATOM 1587 OH TYR A 103 0.047 -5.652 2.036 1.00 0.00 O ATOM 0 H TYR A 103 -3.201 -5.481 6.599 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.229 -6.194 5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.989 -8.922 5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.132 -8.051 4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.289 -5.685 3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -1.706 -8.841 4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.413 -4.692 2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.174 -7.846 3.503 1.00 0.00 H new ATOM 0 HH TYR A 103 0.851 -6.199 2.158 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.107 -7.591 8.460 1.00 0.00 N ATOM 1598 CA GLN A 104 -5.829 -8.342 9.527 1.00 0.00 C ATOM 1599 C GLN A 104 -7.130 -7.616 9.857 1.00 0.00 C ATOM 1600 O GLN A 104 -8.055 -8.180 10.408 1.00 0.00 O ATOM 1601 CB GLN A 104 -4.954 -8.421 10.778 1.00 0.00 C ATOM 1602 CG GLN A 104 -4.405 -9.841 10.929 1.00 0.00 C ATOM 1603 CD GLN A 104 -4.519 -10.280 12.389 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -4.536 -9.457 13.283 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -4.599 -11.551 12.673 1.00 0.00 N ATOM 0 H GLN A 104 -4.421 -6.913 8.793 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.051 -9.351 9.180 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.133 -7.708 10.706 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.535 -8.149 11.659 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.959 -10.527 10.288 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.364 -9.876 10.608 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.585 -12.243 11.924 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.676 -11.853 13.644 1.00 0.00 H new ATOM 1614 N THR A 105 -7.199 -6.367 9.515 1.00 0.00 N ATOM 1615 CA THR A 105 -8.431 -5.575 9.787 1.00 0.00 C ATOM 1616 C THR A 105 -8.615 -4.554 8.664 1.00 0.00 C ATOM 1617 O THR A 105 -7.677 -4.199 7.980 1.00 0.00 O ATOM 1618 CB THR A 105 -8.292 -4.845 11.125 1.00 0.00 C ATOM 1619 OG1 THR A 105 -7.076 -4.112 11.140 1.00 0.00 O ATOM 1620 CG2 THR A 105 -8.292 -5.865 12.266 1.00 0.00 C ATOM 0 H THR A 105 -6.449 -5.852 9.054 1.00 0.00 H new ATOM 0 HA THR A 105 -9.294 -6.239 9.833 1.00 0.00 H new ATOM 0 HB THR A 105 -9.129 -4.159 11.254 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.648 -4.207 12.016 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.193 -5.345 13.219 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.227 -6.425 12.254 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.456 -6.553 12.139 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.813 -4.084 8.460 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.033 -3.094 7.369 1.00 0.00 C ATOM 1630 C PHE A 106 -11.047 -2.041 7.814 1.00 0.00 C ATOM 1631 O PHE A 106 -12.152 -2.353 8.213 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.561 -3.816 6.129 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.479 -4.707 5.569 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.413 -4.150 4.855 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.540 -6.092 5.769 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.409 -4.976 4.337 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.536 -6.918 5.251 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.470 -6.360 4.535 1.00 0.00 C ATOM 0 H PHE A 106 -10.643 -4.339 8.996 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.088 -2.603 7.136 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.439 -4.409 6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.875 -3.091 5.378 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.365 -3.082 4.703 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.361 -6.522 6.323 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.587 -4.545 3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.583 -7.986 5.404 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.695 -6.997 4.136 1.00 0.00 H new ATOM 1648 N THR A 107 -10.680 -0.791 7.739 1.00 0.00 N ATOM 1649 CA THR A 107 -11.620 0.290 8.143 1.00 0.00 C ATOM 1650 C THR A 107 -11.930 1.162 6.925 1.00 0.00 C ATOM 1651 O THR A 107 -11.046 1.545 6.184 1.00 0.00 O ATOM 1652 CB THR A 107 -10.976 1.147 9.236 1.00 0.00 C ATOM 1653 OG1 THR A 107 -9.789 0.514 9.695 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.953 1.308 10.403 1.00 0.00 C ATOM 0 H THR A 107 -9.767 -0.472 7.414 1.00 0.00 H new ATOM 0 HA THR A 107 -12.542 -0.148 8.527 1.00 0.00 H new ATOM 0 HB THR A 107 -10.732 2.129 8.831 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.462 0.974 10.496 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.494 1.918 11.181 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.863 1.793 10.051 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.199 0.327 10.810 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.178 1.475 6.706 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.539 2.317 5.530 1.00 0.00 C ATOM 1664 C LYS A 108 -13.261 3.787 5.847 1.00 0.00 C ATOM 1665 O LYS A 108 -13.697 4.308 6.854 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.024 2.137 5.207 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.337 2.789 3.858 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.582 3.670 3.991 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.786 2.800 4.360 1.00 0.00 C ATOM 1670 NZ LYS A 108 -19.013 3.646 4.406 1.00 0.00 N ATOM 0 H LYS A 108 -13.962 1.185 7.290 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.941 2.012 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.274 1.077 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.634 2.587 5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.489 3.388 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.501 2.022 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.422 4.431 4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.772 4.194 3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.909 2.001 3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.622 2.325 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.832 3.056 4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.893 4.393 5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.171 4.080 3.474 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.538 4.460 4.994 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.235 5.897 5.248 1.00 0.00 C ATOM 1686 C ILE A 109 -12.613 6.723 4.016 1.00 0.00 C ATOM 1687 O ILE A 109 -12.189 7.850 3.860 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.742 6.058 5.532 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.942 5.198 4.553 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.444 5.610 6.964 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.449 5.487 4.719 1.00 0.00 C ATOM 0 H ILE A 109 -12.145 4.078 4.134 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.808 6.244 6.107 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.460 7.104 5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.141 4.142 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.252 5.410 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.379 5.725 7.167 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.015 6.222 7.663 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.726 4.564 7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.880 4.873 4.021 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.258 6.541 4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.144 5.253 5.739 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.409 6.171 3.142 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.813 6.925 1.922 1.00 0.00 C ATOM 1705 C ARG A 110 -14.438 5.963 0.910 1.00 0.00 C ATOM 1706 O ARG A 110 -13.690 5.324 0.190 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.581 7.588 1.302 1.00 0.00 C ATOM 1708 CG ARG A 110 -12.605 9.089 1.602 1.00 0.00 C ATOM 1709 CD ARG A 110 -11.174 9.594 1.799 1.00 0.00 C ATOM 1710 NE ARG A 110 -11.086 10.351 3.080 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.920 10.618 3.600 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -8.861 10.663 2.839 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -9.812 10.840 4.882 1.00 0.00 N ATOM 1714 OXT ARG A 110 -15.655 5.881 0.874 1.00 0.00 O ATOM 0 H ARG A 110 -13.797 5.231 3.220 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.541 7.690 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.672 7.140 1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.568 7.422 0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -13.082 9.627 0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -13.196 9.282 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.479 8.754 1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.885 10.234 0.965 1.00 0.00 H new ATOM 0 HE ARG A 110 -11.937 10.660 3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.945 10.489 1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.949 10.872 3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.640 10.805 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.900 11.049 5.288 1.00 0.00 H new