USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 70 ASN : amide:sc= 1.33 K(o=2.1,f=1.5) USER MOD Set 1.2: A 76 TYR OH : rot 180:sc= 0.761 USER MOD Set 2.1: A 50 SER OG : rot -137:sc= 0.373 USER MOD Set 2.2: A 54 ASN : amide:sc= -2.66 K(o=-2.3,f=-3.9!) USER MOD Set 3.1: A 48 GLN :FLIP amide:sc= -6.99! C(o=-14!,f=-14!) USER MOD Set 3.2: A 49 ASN : amide:sc= -6.6! C(o=-14!,f=-22!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.282 USER MOD Single : A 8 TYR OH : rot 70:sc= -1.07 USER MOD Single : A 13 THR OG1 : rot -61:sc= 0.175! USER MOD Single : A 14 MET CE :methyl 132:sc= -2.73 (180deg=-7.78!) USER MOD Single : A 18 GLN : amide:sc= -0.294 K(o=-0.29,f=-2!) USER MOD Single : A 19 SER OG : rot -73:sc= -3.65! USER MOD Single : A 21 GLN : amide:sc= -0.307 K(o=-0.31,f=-2.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -139:sc= 0.21 USER MOD Single : A 27 SER OG : rot 162:sc= 0.434 USER MOD Single : A 30 CYS SG : rot 84:sc= -0.452 USER MOD Single : A 34 SER OG : rot 180:sc= -0.321 USER MOD Single : A 35 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.1) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 130:sc= -0.959 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 56 SER OG : rot -87:sc= 0.583 USER MOD Single : A 58 ASN : amide:sc= -1.34 K(o=-1.3,f=-8.5!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -139:sc= 0.0559 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -7.84! C(o=-7.8!,f=-15!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -2.13 K(o=-2.1,f=-6.7!) USER MOD Single : A 83 SER OG : rot -150:sc=-0.00783 USER MOD Single : A 86 MET CE :methyl -121:sc= -2.14! (180deg=-8.58!) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 -7.803 -7.180 1.669 1.00 0.00 N ATOM 89 CA SER A 7 -8.416 -6.183 2.530 1.00 0.00 C ATOM 90 C SER A 7 -8.200 -6.556 3.999 1.00 0.00 C ATOM 91 O SER A 7 -7.296 -7.326 4.321 1.00 0.00 O ATOM 92 CB SER A 7 -9.910 -6.042 2.233 1.00 0.00 C ATOM 93 OG SER A 7 -10.426 -4.788 2.672 1.00 0.00 O ATOM 0 HA SER A 7 -7.941 -5.222 2.332 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.078 -6.148 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.455 -6.849 2.722 1.00 0.00 H new ATOM 0 HG SER A 7 -11.382 -4.736 2.463 1.00 0.00 H new ATOM 99 N TYR A 8 -9.045 -5.992 4.849 1.00 0.00 N ATOM 100 CA TYR A 8 -8.958 -6.256 6.276 1.00 0.00 C ATOM 101 C TYR A 8 -9.663 -7.565 6.635 1.00 0.00 C ATOM 102 O TYR A 8 -9.379 -8.163 7.673 1.00 0.00 O ATOM 103 CB TYR A 8 -9.680 -5.096 6.964 1.00 0.00 C ATOM 104 CG TYR A 8 -9.165 -4.789 8.371 1.00 0.00 C ATOM 105 CD1 TYR A 8 -7.944 -4.168 8.539 1.00 0.00 C ATOM 106 CD2 TYR A 8 -9.921 -5.134 9.473 1.00 0.00 C ATOM 107 CE1 TYR A 8 -7.460 -3.879 9.864 1.00 0.00 C ATOM 108 CE2 TYR A 8 -9.436 -4.845 10.798 1.00 0.00 C ATOM 109 CZ TYR A 8 -8.229 -4.232 10.928 1.00 0.00 C ATOM 110 OH TYR A 8 -7.772 -3.960 12.179 1.00 0.00 O ATOM 0 H TYR A 8 -9.793 -5.354 4.578 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.917 -6.344 6.587 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -9.579 -4.202 6.348 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -10.744 -5.326 7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -7.352 -3.899 7.677 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.876 -5.621 9.342 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.507 -3.392 10.009 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.018 -5.109 11.669 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.791 -2.992 12.331 1.00 0.00 H new ATOM 120 N ILE A 9 -10.568 -7.973 5.758 1.00 0.00 N ATOM 121 CA ILE A 9 -11.316 -9.201 5.970 1.00 0.00 C ATOM 122 C ILE A 9 -10.348 -10.323 6.352 1.00 0.00 C ATOM 123 O ILE A 9 -10.588 -11.055 7.310 1.00 0.00 O ATOM 124 CB ILE A 9 -12.177 -9.522 4.747 1.00 0.00 C ATOM 125 CG1 ILE A 9 -13.106 -10.705 5.026 1.00 0.00 C ATOM 126 CG2 ILE A 9 -11.308 -9.754 3.509 1.00 0.00 C ATOM 127 CD1 ILE A 9 -14.378 -10.615 4.180 1.00 0.00 C ATOM 0 H ILE A 9 -10.801 -7.475 4.899 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.013 -9.084 6.800 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.809 -8.659 4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.587 -11.639 4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.369 -10.724 6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.945 -9.980 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.726 -8.857 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.633 -10.591 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.021 -11.468 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.907 -9.692 4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.113 -10.621 3.123 1.00 0.00 H new ATOM 139 N ALA A 10 -9.274 -10.423 5.581 1.00 0.00 N ATOM 140 CA ALA A 10 -8.269 -11.443 5.827 1.00 0.00 C ATOM 141 C ALA A 10 -7.607 -11.185 7.182 1.00 0.00 C ATOM 142 O ALA A 10 -7.629 -12.045 8.061 1.00 0.00 O ATOM 143 CB ALA A 10 -7.260 -11.452 4.677 1.00 0.00 C ATOM 0 H ALA A 10 -9.079 -9.814 4.786 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.727 -12.431 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.506 -12.217 4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.776 -11.669 3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.778 -10.477 4.608 1.00 0.00 H new ATOM 149 N LEU A 11 -7.034 -9.997 7.308 1.00 0.00 N ATOM 150 CA LEU A 11 -6.367 -9.616 8.541 1.00 0.00 C ATOM 151 C LEU A 11 -7.301 -9.880 9.724 1.00 0.00 C ATOM 152 O LEU A 11 -6.844 -10.195 10.822 1.00 0.00 O ATOM 153 CB LEU A 11 -5.874 -8.170 8.458 1.00 0.00 C ATOM 154 CG LEU A 11 -5.200 -7.765 7.146 1.00 0.00 C ATOM 155 CD1 LEU A 11 -4.596 -6.364 7.249 1.00 0.00 C ATOM 156 CD2 LEU A 11 -4.163 -8.806 6.718 1.00 0.00 C ATOM 0 H LEU A 11 -7.018 -9.286 6.577 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.476 -10.224 8.696 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.723 -7.507 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.170 -8.000 9.273 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.962 -7.730 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.123 -6.101 6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.383 -5.644 7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.851 -6.347 8.044 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.699 -8.494 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.399 -8.897 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.652 -9.770 6.576 1.00 0.00 H new ATOM 168 N ILE A 12 -8.592 -9.742 9.460 1.00 0.00 N ATOM 169 CA ILE A 12 -9.594 -9.961 10.489 1.00 0.00 C ATOM 170 C ILE A 12 -9.629 -11.448 10.851 1.00 0.00 C ATOM 171 O ILE A 12 -9.476 -11.810 12.017 1.00 0.00 O ATOM 172 CB ILE A 12 -10.948 -9.404 10.046 1.00 0.00 C ATOM 173 CG1 ILE A 12 -10.979 -7.879 10.164 1.00 0.00 C ATOM 174 CG2 ILE A 12 -12.092 -10.062 10.820 1.00 0.00 C ATOM 175 CD1 ILE A 12 -10.597 -7.431 11.576 1.00 0.00 C ATOM 0 H ILE A 12 -8.967 -9.481 8.548 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.334 -9.417 11.397 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.089 -9.648 8.993 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.291 -7.441 9.441 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.976 -7.512 9.919 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -13.043 -9.648 10.486 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.081 -11.137 10.641 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.968 -9.870 11.886 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.627 -6.343 11.633 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.301 -7.851 12.294 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.591 -7.779 11.808 1.00 0.00 H new ATOM 187 N THR A 13 -9.833 -12.268 9.831 1.00 0.00 N ATOM 188 CA THR A 13 -9.890 -13.706 10.027 1.00 0.00 C ATOM 189 C THR A 13 -8.749 -14.167 10.936 1.00 0.00 C ATOM 190 O THR A 13 -8.942 -15.023 11.797 1.00 0.00 O ATOM 191 CB THR A 13 -9.877 -14.373 8.650 1.00 0.00 C ATOM 192 OG1 THR A 13 -8.579 -14.086 8.138 1.00 0.00 O ATOM 193 CG2 THR A 13 -10.827 -13.692 7.661 1.00 0.00 C ATOM 0 H THR A 13 -9.961 -11.964 8.866 1.00 0.00 H new ATOM 0 HA THR A 13 -10.808 -13.998 10.537 1.00 0.00 H new ATOM 0 HB THR A 13 -10.151 -15.423 8.752 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.462 -13.116 8.068 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.780 -14.204 6.700 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.846 -13.736 8.046 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.533 -12.650 7.532 1.00 0.00 H new ATOM 201 N MET A 14 -7.583 -13.578 10.712 1.00 0.00 N ATOM 202 CA MET A 14 -6.410 -13.916 11.500 1.00 0.00 C ATOM 203 C MET A 14 -6.407 -13.162 12.831 1.00 0.00 C ATOM 204 O MET A 14 -5.761 -13.587 13.788 1.00 0.00 O ATOM 205 CB MET A 14 -5.147 -13.566 10.711 1.00 0.00 C ATOM 206 CG MET A 14 -4.811 -12.080 10.846 1.00 0.00 C ATOM 207 SD MET A 14 -3.053 -11.831 10.658 1.00 0.00 S ATOM 208 CE MET A 14 -3.035 -10.124 10.139 1.00 0.00 C ATOM 0 H MET A 14 -7.426 -12.869 9.996 1.00 0.00 H new ATOM 0 HA MET A 14 -6.433 -14.985 11.711 1.00 0.00 H new ATOM 0 HB2 MET A 14 -4.311 -14.166 11.071 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.289 -13.816 9.660 1.00 0.00 H new ATOM 0 HG2 MET A 14 -5.350 -11.507 10.092 1.00 0.00 H new ATOM 0 HG3 MET A 14 -5.137 -11.712 11.819 1.00 0.00 H new ATOM 0 HE1 MET A 14 -2.298 -9.574 10.724 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.774 -10.068 9.082 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.021 -9.686 10.293 1.00 0.00 H new ATOM 218 N ALA A 15 -7.135 -12.056 12.849 1.00 0.00 N ATOM 219 CA ALA A 15 -7.225 -11.238 14.047 1.00 0.00 C ATOM 220 C ALA A 15 -8.028 -11.988 15.112 1.00 0.00 C ATOM 221 O ALA A 15 -7.657 -11.994 16.285 1.00 0.00 O ATOM 222 CB ALA A 15 -7.843 -9.884 13.696 1.00 0.00 C ATOM 0 H ALA A 15 -7.669 -11.706 12.053 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.233 -11.046 14.456 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.910 -9.271 14.595 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.219 -9.379 12.958 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.841 -10.035 13.284 1.00 0.00 H new ATOM 228 N ILE A 16 -9.114 -12.601 14.665 1.00 0.00 N ATOM 229 CA ILE A 16 -9.974 -13.352 15.565 1.00 0.00 C ATOM 230 C ILE A 16 -9.349 -14.722 15.835 1.00 0.00 C ATOM 231 O ILE A 16 -9.385 -15.214 16.962 1.00 0.00 O ATOM 232 CB ILE A 16 -11.398 -13.423 15.010 1.00 0.00 C ATOM 233 CG1 ILE A 16 -12.167 -12.134 15.307 1.00 0.00 C ATOM 234 CG2 ILE A 16 -12.129 -14.661 15.535 1.00 0.00 C ATOM 235 CD1 ILE A 16 -11.739 -11.011 14.360 1.00 0.00 C ATOM 0 H ILE A 16 -9.419 -12.593 13.692 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.057 -12.844 16.526 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.338 -13.519 13.926 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -13.237 -12.313 15.205 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.992 -11.831 16.339 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.139 -14.688 15.126 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.590 -15.558 15.231 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.179 -14.620 16.623 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -12.300 -10.106 14.592 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.673 -10.818 14.482 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.938 -11.308 13.330 1.00 0.00 H new ATOM 247 N LEU A 17 -8.791 -15.300 14.782 1.00 0.00 N ATOM 248 CA LEU A 17 -8.159 -16.604 14.891 1.00 0.00 C ATOM 249 C LEU A 17 -7.024 -16.532 15.914 1.00 0.00 C ATOM 250 O LEU A 17 -6.840 -17.453 16.709 1.00 0.00 O ATOM 251 CB LEU A 17 -7.715 -17.102 13.514 1.00 0.00 C ATOM 252 CG LEU A 17 -8.718 -17.979 12.762 1.00 0.00 C ATOM 253 CD1 LEU A 17 -10.152 -17.508 13.011 1.00 0.00 C ATOM 254 CD2 LEU A 17 -8.385 -18.037 11.270 1.00 0.00 C ATOM 0 H LEU A 17 -8.763 -14.889 13.849 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.872 -17.343 15.257 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.483 -16.236 12.894 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.789 -17.665 13.634 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.641 -18.995 13.149 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.845 -18.148 12.465 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.372 -17.561 14.077 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.262 -16.479 12.668 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.113 -18.667 10.759 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.417 -17.031 10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.387 -18.454 11.136 1.00 0.00 H new ATOM 266 N GLN A 18 -6.292 -15.429 15.862 1.00 0.00 N ATOM 267 CA GLN A 18 -5.180 -15.225 16.774 1.00 0.00 C ATOM 268 C GLN A 18 -5.683 -15.158 18.218 1.00 0.00 C ATOM 269 O GLN A 18 -4.942 -15.462 19.151 1.00 0.00 O ATOM 270 CB GLN A 18 -4.395 -13.964 16.408 1.00 0.00 C ATOM 271 CG GLN A 18 -5.107 -12.708 16.915 1.00 0.00 C ATOM 272 CD GLN A 18 -4.263 -11.985 17.966 1.00 0.00 C ATOM 273 OE1 GLN A 18 -3.329 -12.529 18.531 1.00 0.00 O ATOM 274 NE2 GLN A 18 -4.642 -10.731 18.195 1.00 0.00 N ATOM 0 H GLN A 18 -6.448 -14.667 15.202 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.502 -16.074 16.685 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.394 -14.017 16.837 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.276 -13.907 15.326 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.307 -12.037 16.080 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.072 -12.980 17.343 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.433 -10.337 17.687 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.141 -10.164 18.879 1.00 0.00 H new ATOM 283 N SER A 19 -6.939 -14.759 18.355 1.00 0.00 N ATOM 284 CA SER A 19 -7.549 -14.649 19.669 1.00 0.00 C ATOM 285 C SER A 19 -8.795 -15.533 19.743 1.00 0.00 C ATOM 286 O SER A 19 -9.917 -15.030 19.791 1.00 0.00 O ATOM 287 CB SER A 19 -7.910 -13.196 19.988 1.00 0.00 C ATOM 288 OG SER A 19 -8.777 -12.633 19.008 1.00 0.00 O ATOM 0 H SER A 19 -7.550 -14.508 17.578 1.00 0.00 H new ATOM 0 HA SER A 19 -6.826 -14.988 20.411 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.389 -13.148 20.966 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.999 -12.601 20.050 1.00 0.00 H new ATOM 0 HG SER A 19 -8.274 -12.464 18.184 1.00 0.00 H new ATOM 294 N PRO A 20 -8.551 -16.871 19.749 1.00 0.00 N ATOM 295 CA PRO A 20 -9.640 -17.830 19.816 1.00 0.00 C ATOM 296 C PRO A 20 -10.227 -17.896 21.228 1.00 0.00 C ATOM 297 O PRO A 20 -11.178 -18.635 21.475 1.00 0.00 O ATOM 298 CB PRO A 20 -9.032 -19.148 19.364 1.00 0.00 C ATOM 299 CG PRO A 20 -7.528 -18.984 19.507 1.00 0.00 C ATOM 300 CD PRO A 20 -7.236 -17.503 19.693 1.00 0.00 C ATOM 0 HA PRO A 20 -10.482 -17.555 19.180 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.394 -19.975 19.975 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.304 -19.370 18.332 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.161 -19.555 20.360 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.017 -19.366 18.623 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.670 -17.322 20.607 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.642 -17.110 18.868 1.00 0.00 H new ATOM 308 N GLN A 21 -9.635 -17.112 22.117 1.00 0.00 N ATOM 309 CA GLN A 21 -10.088 -17.071 23.497 1.00 0.00 C ATOM 310 C GLN A 21 -11.456 -16.392 23.588 1.00 0.00 C ATOM 311 O GLN A 21 -12.104 -16.431 24.633 1.00 0.00 O ATOM 312 CB GLN A 21 -9.065 -16.364 24.389 1.00 0.00 C ATOM 313 CG GLN A 21 -8.374 -17.358 25.325 1.00 0.00 C ATOM 314 CD GLN A 21 -8.928 -17.247 26.747 1.00 0.00 C ATOM 315 OE1 GLN A 21 -9.508 -16.248 27.139 1.00 0.00 O ATOM 316 NE2 GLN A 21 -8.717 -18.327 27.495 1.00 0.00 N ATOM 0 H GLN A 21 -8.846 -16.500 21.909 1.00 0.00 H new ATOM 0 HA GLN A 21 -10.188 -18.095 23.856 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.320 -15.865 23.769 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.561 -15.591 24.976 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.517 -18.373 24.953 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.300 -17.170 25.333 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.224 -19.130 27.104 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.048 -18.352 28.459 1.00 0.00 H new ATOM 325 N LYS A 22 -11.855 -15.787 22.479 1.00 0.00 N ATOM 326 CA LYS A 22 -13.134 -15.100 22.420 1.00 0.00 C ATOM 327 C LYS A 22 -13.070 -13.836 23.279 1.00 0.00 C ATOM 328 O LYS A 22 -13.860 -13.670 24.207 1.00 0.00 O ATOM 329 CB LYS A 22 -14.270 -16.049 22.808 1.00 0.00 C ATOM 330 CG LYS A 22 -14.284 -17.285 21.905 1.00 0.00 C ATOM 331 CD LYS A 22 -13.752 -18.512 22.646 1.00 0.00 C ATOM 332 CE LYS A 22 -14.633 -18.851 23.850 1.00 0.00 C ATOM 333 NZ LYS A 22 -14.552 -20.296 24.162 1.00 0.00 N ATOM 0 H LYS A 22 -11.315 -15.758 21.614 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.348 -14.782 21.400 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.154 -16.355 23.848 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.225 -15.529 22.733 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.300 -17.476 21.560 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.677 -17.099 21.019 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.715 -19.364 21.967 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.731 -18.326 22.979 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.317 -18.268 24.715 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.667 -18.576 23.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.156 -20.509 24.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.875 -20.847 23.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.568 -20.549 24.382 1.00 0.00 H new ATOM 347 N LYS A 23 -12.120 -12.976 22.939 1.00 0.00 N ATOM 348 CA LYS A 23 -11.942 -11.731 23.668 1.00 0.00 C ATOM 349 C LYS A 23 -10.764 -10.959 23.070 1.00 0.00 C ATOM 350 O LYS A 23 -9.608 -11.281 23.336 1.00 0.00 O ATOM 351 CB LYS A 23 -11.802 -12.003 25.167 1.00 0.00 C ATOM 352 CG LYS A 23 -10.638 -12.956 25.444 1.00 0.00 C ATOM 353 CD LYS A 23 -9.641 -12.333 26.423 1.00 0.00 C ATOM 354 CE LYS A 23 -8.203 -12.524 25.937 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.413 -13.278 26.937 1.00 0.00 N ATOM 0 H LYS A 23 -11.466 -13.117 22.169 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.824 -11.099 23.564 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.642 -11.064 25.697 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.728 -12.432 25.550 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.019 -13.892 25.853 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.132 -13.199 24.510 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.852 -11.270 26.535 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.760 -12.787 27.407 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.202 -13.058 24.987 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.742 -11.553 25.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.440 -13.399 26.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.399 -12.754 27.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.845 -14.212 27.088 1.00 0.00 H new ATOM 369 N LEU A 24 -11.100 -9.956 22.272 1.00 0.00 N ATOM 370 CA LEU A 24 -10.084 -9.136 21.634 1.00 0.00 C ATOM 371 C LEU A 24 -10.530 -7.673 21.653 1.00 0.00 C ATOM 372 O LEU A 24 -11.713 -7.383 21.822 1.00 0.00 O ATOM 373 CB LEU A 24 -9.770 -9.665 20.233 1.00 0.00 C ATOM 374 CG LEU A 24 -10.978 -10.046 19.374 1.00 0.00 C ATOM 375 CD1 LEU A 24 -10.719 -9.741 17.897 1.00 0.00 C ATOM 376 CD2 LEU A 24 -11.370 -11.508 19.597 1.00 0.00 C ATOM 0 H LEU A 24 -12.061 -9.693 22.053 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.147 -9.191 22.188 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.195 -8.907 19.701 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.129 -10.541 20.332 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.825 -9.434 19.685 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.593 -10.021 17.309 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.525 -8.675 17.774 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.854 -10.309 17.554 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.231 -11.753 18.975 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.534 -12.154 19.330 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.625 -11.660 20.646 1.00 0.00 H new ATOM 388 N THR A 25 -9.559 -6.789 21.478 1.00 0.00 N ATOM 389 CA THR A 25 -9.836 -5.362 21.473 1.00 0.00 C ATOM 390 C THR A 25 -9.544 -4.767 20.095 1.00 0.00 C ATOM 391 O THR A 25 -8.460 -4.964 19.547 1.00 0.00 O ATOM 392 CB THR A 25 -9.024 -4.719 22.599 1.00 0.00 C ATOM 393 OG1 THR A 25 -9.780 -4.994 23.775 1.00 0.00 O ATOM 394 CG2 THR A 25 -9.012 -3.191 22.513 1.00 0.00 C ATOM 0 H THR A 25 -8.579 -7.033 21.338 1.00 0.00 H new ATOM 0 HA THR A 25 -10.891 -5.163 21.660 1.00 0.00 H new ATOM 0 HB THR A 25 -8.001 -5.093 22.567 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.789 -4.201 24.351 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.422 -2.785 23.335 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.572 -2.883 21.564 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.033 -2.815 22.579 1.00 0.00 H new ATOM 402 N LEU A 26 -10.529 -4.050 19.574 1.00 0.00 N ATOM 403 CA LEU A 26 -10.391 -3.425 18.270 1.00 0.00 C ATOM 404 C LEU A 26 -9.124 -2.567 18.252 1.00 0.00 C ATOM 405 O LEU A 26 -8.281 -2.716 17.369 1.00 0.00 O ATOM 406 CB LEU A 26 -11.661 -2.652 17.909 1.00 0.00 C ATOM 407 CG LEU A 26 -11.665 -1.971 16.539 1.00 0.00 C ATOM 408 CD1 LEU A 26 -10.732 -0.759 16.526 1.00 0.00 C ATOM 409 CD2 LEU A 26 -11.324 -2.968 15.430 1.00 0.00 C ATOM 0 H LEU A 26 -11.426 -3.888 20.032 1.00 0.00 H new ATOM 0 HA LEU A 26 -10.275 -4.183 17.495 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.506 -3.339 17.953 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.829 -1.891 18.671 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.673 -1.604 16.344 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.754 -0.294 15.541 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.061 -0.039 17.275 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.715 -1.080 16.753 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.334 -2.458 14.467 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.334 -3.387 15.609 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.061 -3.771 15.423 1.00 0.00 H new ATOM 421 N SER A 27 -9.029 -1.687 19.239 1.00 0.00 N ATOM 422 CA SER A 27 -7.879 -0.806 19.347 1.00 0.00 C ATOM 423 C SER A 27 -6.587 -1.612 19.205 1.00 0.00 C ATOM 424 O SER A 27 -5.721 -1.266 18.402 1.00 0.00 O ATOM 425 CB SER A 27 -7.889 -0.049 20.677 1.00 0.00 C ATOM 426 OG SER A 27 -7.309 -0.814 21.731 1.00 0.00 O ATOM 0 H SER A 27 -9.730 -1.566 19.970 1.00 0.00 H new ATOM 0 HA SER A 27 -7.932 -0.073 18.542 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.342 0.887 20.565 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.915 0.210 20.939 1.00 0.00 H new ATOM 0 HG SER A 27 -7.073 -0.221 22.474 1.00 0.00 H new ATOM 432 N GLY A 28 -6.497 -2.671 19.996 1.00 0.00 N ATOM 433 CA GLY A 28 -5.324 -3.528 19.968 1.00 0.00 C ATOM 434 C GLY A 28 -5.137 -4.157 18.586 1.00 0.00 C ATOM 435 O GLY A 28 -4.012 -4.289 18.107 1.00 0.00 O ATOM 0 H GLY A 28 -7.217 -2.955 20.660 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.439 -2.948 20.230 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.425 -4.313 20.718 1.00 0.00 H new ATOM 439 N ILE A 29 -6.258 -4.527 17.983 1.00 0.00 N ATOM 440 CA ILE A 29 -6.231 -5.138 16.665 1.00 0.00 C ATOM 441 C ILE A 29 -5.653 -4.142 15.657 1.00 0.00 C ATOM 442 O ILE A 29 -4.809 -4.502 14.838 1.00 0.00 O ATOM 443 CB ILE A 29 -7.620 -5.657 16.287 1.00 0.00 C ATOM 444 CG1 ILE A 29 -7.716 -7.170 16.498 1.00 0.00 C ATOM 445 CG2 ILE A 29 -7.987 -5.254 14.858 1.00 0.00 C ATOM 446 CD1 ILE A 29 -7.098 -7.577 17.838 1.00 0.00 C ATOM 0 H ILE A 29 -7.190 -4.415 18.383 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.577 -6.010 16.663 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.350 -5.192 16.950 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.761 -7.480 16.466 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.205 -7.687 15.686 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.979 -5.636 14.616 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.986 -4.167 14.775 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.258 -5.671 14.164 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.179 -8.657 17.963 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.047 -7.288 17.857 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.627 -7.077 18.649 1.00 0.00 H new ATOM 458 N CYS A 30 -6.129 -2.910 15.751 1.00 0.00 N ATOM 459 CA CYS A 30 -5.670 -1.860 14.858 1.00 0.00 C ATOM 460 C CYS A 30 -4.146 -1.771 14.964 1.00 0.00 C ATOM 461 O CYS A 30 -3.450 -1.742 13.951 1.00 0.00 O ATOM 462 CB CYS A 30 -6.342 -0.520 15.166 1.00 0.00 C ATOM 463 SG CYS A 30 -5.598 0.803 14.145 1.00 0.00 S ATOM 0 H CYS A 30 -6.828 -2.615 16.432 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.949 -2.104 13.833 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.412 -0.586 14.967 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.229 -0.282 16.224 1.00 0.00 H new ATOM 0 HG CYS A 30 -6.165 0.819 12.975 1.00 0.00 H new ATOM 469 N GLU A 31 -3.673 -1.730 16.201 1.00 0.00 N ATOM 470 CA GLU A 31 -2.244 -1.646 16.454 1.00 0.00 C ATOM 471 C GLU A 31 -1.544 -2.919 15.974 1.00 0.00 C ATOM 472 O GLU A 31 -0.363 -2.891 15.632 1.00 0.00 O ATOM 473 CB GLU A 31 -1.964 -1.391 17.936 1.00 0.00 C ATOM 474 CG GLU A 31 -0.655 -0.619 18.121 1.00 0.00 C ATOM 475 CD GLU A 31 -0.906 0.890 18.143 1.00 0.00 C ATOM 476 OE1 GLU A 31 -1.982 1.279 18.648 1.00 0.00 O ATOM 477 OE2 GLU A 31 -0.018 1.620 17.654 1.00 0.00 O ATOM 0 H GLU A 31 -4.254 -1.753 17.039 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.844 -0.802 15.892 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.788 -0.828 18.374 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.909 -2.341 18.468 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.177 -0.925 19.051 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.034 -0.865 17.313 1.00 0.00 H new ATOM 484 N PHE A 32 -2.303 -4.005 15.965 1.00 0.00 N ATOM 485 CA PHE A 32 -1.770 -5.286 15.533 1.00 0.00 C ATOM 486 C PHE A 32 -1.683 -5.358 14.007 1.00 0.00 C ATOM 487 O PHE A 32 -0.886 -6.119 13.462 1.00 0.00 O ATOM 488 CB PHE A 32 -2.737 -6.363 16.028 1.00 0.00 C ATOM 489 CG PHE A 32 -3.085 -7.418 14.976 1.00 0.00 C ATOM 490 CD1 PHE A 32 -2.120 -8.254 14.506 1.00 0.00 C ATOM 491 CD2 PHE A 32 -4.359 -7.521 14.511 1.00 0.00 C ATOM 492 CE1 PHE A 32 -2.443 -9.233 13.530 1.00 0.00 C ATOM 493 CE2 PHE A 32 -4.682 -8.501 13.535 1.00 0.00 C ATOM 494 CZ PHE A 32 -3.717 -9.336 13.065 1.00 0.00 C ATOM 0 H PHE A 32 -3.282 -4.024 16.250 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.766 -5.425 15.934 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.299 -6.859 16.894 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.656 -5.884 16.365 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.108 -8.173 14.875 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.125 -6.857 14.884 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.677 -9.896 13.157 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.694 -8.583 13.166 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.962 -10.081 12.322 1.00 0.00 H new ATOM 504 N ILE A 33 -2.515 -4.554 13.361 1.00 0.00 N ATOM 505 CA ILE A 33 -2.542 -4.516 11.908 1.00 0.00 C ATOM 506 C ILE A 33 -1.400 -3.633 11.404 1.00 0.00 C ATOM 507 O ILE A 33 -0.602 -4.060 10.570 1.00 0.00 O ATOM 508 CB ILE A 33 -3.922 -4.081 11.410 1.00 0.00 C ATOM 509 CG1 ILE A 33 -4.984 -5.129 11.751 1.00 0.00 C ATOM 510 CG2 ILE A 33 -3.889 -3.764 9.913 1.00 0.00 C ATOM 511 CD1 ILE A 33 -4.635 -6.484 11.132 1.00 0.00 C ATOM 0 H ILE A 33 -3.175 -3.924 13.817 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.379 -5.512 11.497 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.199 -3.163 11.928 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.066 -5.230 12.833 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.957 -4.798 11.387 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.882 -3.457 9.584 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.180 -2.957 9.727 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.581 -4.651 9.360 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.405 -7.211 11.389 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.577 -6.385 10.048 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.673 -6.823 11.517 1.00 0.00 H new ATOM 523 N SER A 34 -1.356 -2.418 11.930 1.00 0.00 N ATOM 524 CA SER A 34 -0.324 -1.471 11.544 1.00 0.00 C ATOM 525 C SER A 34 1.057 -2.033 11.886 1.00 0.00 C ATOM 526 O SER A 34 1.943 -2.075 11.034 1.00 0.00 O ATOM 527 CB SER A 34 -0.532 -0.119 12.229 1.00 0.00 C ATOM 528 OG SER A 34 -0.211 -0.169 13.617 1.00 0.00 O ATOM 0 H SER A 34 -2.019 -2.067 12.621 1.00 0.00 H new ATOM 0 HA SER A 34 -0.389 -1.315 10.467 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.087 0.634 11.741 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.569 0.193 12.108 1.00 0.00 H new ATOM 0 HG SER A 34 -0.355 0.713 14.018 1.00 0.00 H new ATOM 534 N ASN A 35 1.197 -2.452 13.135 1.00 0.00 N ATOM 535 CA ASN A 35 2.455 -3.010 13.601 1.00 0.00 C ATOM 536 C ASN A 35 2.884 -4.141 12.664 1.00 0.00 C ATOM 537 O ASN A 35 4.075 -4.331 12.420 1.00 0.00 O ATOM 538 CB ASN A 35 2.312 -3.591 15.009 1.00 0.00 C ATOM 539 CG ASN A 35 3.593 -4.310 15.438 1.00 0.00 C ATOM 540 OD1 ASN A 35 3.863 -5.435 15.053 1.00 0.00 O ATOM 541 ND2 ASN A 35 4.364 -3.599 16.256 1.00 0.00 N ATOM 0 H ASN A 35 0.460 -2.416 13.839 1.00 0.00 H new ATOM 0 HA ASN A 35 3.195 -2.209 13.615 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.085 -2.792 15.715 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.474 -4.287 15.036 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.241 -3.991 16.600 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.078 -2.662 16.540 1.00 0.00 H new ATOM 548 N ARG A 36 1.891 -4.862 12.165 1.00 0.00 N ATOM 549 CA ARG A 36 2.151 -5.969 11.260 1.00 0.00 C ATOM 550 C ARG A 36 2.589 -5.444 9.891 1.00 0.00 C ATOM 551 O ARG A 36 3.503 -5.990 9.276 1.00 0.00 O ATOM 552 CB ARG A 36 0.909 -6.844 11.090 1.00 0.00 C ATOM 553 CG ARG A 36 0.914 -8.004 12.088 1.00 0.00 C ATOM 554 CD ARG A 36 2.139 -8.898 11.883 1.00 0.00 C ATOM 555 NE ARG A 36 1.754 -10.321 12.010 1.00 0.00 N ATOM 556 CZ ARG A 36 1.675 -10.977 13.176 1.00 0.00 C ATOM 557 NH1 ARG A 36 1.952 -10.341 14.322 1.00 0.00 N ATOM 558 NH2 ARG A 36 1.317 -12.268 13.195 1.00 0.00 N ATOM 0 H ARG A 36 0.905 -4.701 12.370 1.00 0.00 H new ATOM 0 HA ARG A 36 2.949 -6.572 11.694 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.013 -6.241 11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.872 -7.235 10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.911 -7.613 13.105 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.005 -8.594 11.970 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.572 -8.716 10.899 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.905 -8.653 12.618 1.00 0.00 H new ATOM 0 HE ARG A 36 1.535 -10.835 11.157 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.223 -9.358 14.307 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.892 -10.840 15.210 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.105 -12.751 12.322 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.257 -12.768 14.082 1.00 0.00 H new ATOM 572 N PHE A 37 1.915 -4.389 9.455 1.00 0.00 N ATOM 573 CA PHE A 37 2.223 -3.785 8.170 1.00 0.00 C ATOM 574 C PHE A 37 2.341 -2.264 8.294 1.00 0.00 C ATOM 575 O PHE A 37 1.421 -1.604 8.774 1.00 0.00 O ATOM 576 CB PHE A 37 1.064 -4.119 7.229 1.00 0.00 C ATOM 577 CG PHE A 37 0.727 -5.610 7.163 1.00 0.00 C ATOM 578 CD1 PHE A 37 -0.002 -6.188 8.155 1.00 0.00 C ATOM 579 CD2 PHE A 37 1.158 -6.359 6.112 1.00 0.00 C ATOM 580 CE1 PHE A 37 -0.315 -7.571 8.093 1.00 0.00 C ATOM 581 CE2 PHE A 37 0.845 -7.743 6.050 1.00 0.00 C ATOM 582 CZ PHE A 37 0.116 -8.320 7.042 1.00 0.00 C ATOM 0 H PHE A 37 1.158 -3.938 9.968 1.00 0.00 H new ATOM 0 HA PHE A 37 3.173 -4.168 7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.179 -3.571 7.551 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.310 -3.768 6.227 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.343 -5.594 8.990 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.738 -5.901 5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.895 -8.029 8.880 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.186 -8.337 5.215 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.121 -9.373 6.996 1.00 0.00 H new ATOM 592 N PRO A 38 3.511 -1.739 7.840 1.00 0.00 N ATOM 593 CA PRO A 38 3.761 -0.309 7.895 1.00 0.00 C ATOM 594 C PRO A 38 2.970 0.428 6.812 1.00 0.00 C ATOM 595 O PRO A 38 2.644 1.604 6.969 1.00 0.00 O ATOM 596 CB PRO A 38 5.265 -0.166 7.734 1.00 0.00 C ATOM 597 CG PRO A 38 5.746 -1.476 7.131 1.00 0.00 C ATOM 598 CD PRO A 38 4.622 -2.491 7.265 1.00 0.00 C ATOM 0 HA PRO A 38 3.430 0.140 8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.510 0.676 7.086 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.745 0.021 8.695 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.013 -1.339 6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.641 -1.827 7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.354 -2.916 6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.913 -3.322 7.908 1.00 0.00 H new ATOM 606 N TYR A 39 2.685 -0.294 5.738 1.00 0.00 N ATOM 607 CA TYR A 39 1.939 0.277 4.630 1.00 0.00 C ATOM 608 C TYR A 39 0.596 0.837 5.103 1.00 0.00 C ATOM 609 O TYR A 39 0.197 1.928 4.700 1.00 0.00 O ATOM 610 CB TYR A 39 1.683 -0.875 3.656 1.00 0.00 C ATOM 611 CG TYR A 39 0.276 -0.881 3.055 1.00 0.00 C ATOM 612 CD1 TYR A 39 -0.275 0.290 2.577 1.00 0.00 C ATOM 613 CD2 TYR A 39 -0.442 -2.058 2.991 1.00 0.00 C ATOM 614 CE1 TYR A 39 -1.599 0.285 2.011 1.00 0.00 C ATOM 615 CE2 TYR A 39 -1.766 -2.063 2.425 1.00 0.00 C ATOM 616 CZ TYR A 39 -2.279 -0.892 1.963 1.00 0.00 C ATOM 617 OH TYR A 39 -3.530 -0.897 1.429 1.00 0.00 O ATOM 0 H TYR A 39 2.957 -1.269 5.612 1.00 0.00 H new ATOM 0 HA TYR A 39 2.496 1.095 4.173 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.412 -0.822 2.847 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.850 -1.819 4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.287 1.211 2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.011 -2.975 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.042 1.195 1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.339 -2.977 2.369 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.895 -1.806 1.459 1.00 0.00 H new ATOM 627 N TYR A 40 -0.065 0.064 5.953 1.00 0.00 N ATOM 628 CA TYR A 40 -1.355 0.469 6.485 1.00 0.00 C ATOM 629 C TYR A 40 -1.220 1.718 7.359 1.00 0.00 C ATOM 630 O TYR A 40 -2.050 2.622 7.288 1.00 0.00 O ATOM 631 CB TYR A 40 -1.837 -0.696 7.352 1.00 0.00 C ATOM 632 CG TYR A 40 -2.306 -1.914 6.553 1.00 0.00 C ATOM 633 CD1 TYR A 40 -2.920 -1.741 5.329 1.00 0.00 C ATOM 634 CD2 TYR A 40 -2.116 -3.184 7.057 1.00 0.00 C ATOM 635 CE1 TYR A 40 -3.361 -2.887 4.577 1.00 0.00 C ATOM 636 CE2 TYR A 40 -2.557 -4.330 6.305 1.00 0.00 C ATOM 637 CZ TYR A 40 -3.158 -4.125 5.102 1.00 0.00 C ATOM 638 OH TYR A 40 -3.575 -5.208 4.392 1.00 0.00 O ATOM 0 H TYR A 40 0.269 -0.840 6.286 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.048 0.704 5.677 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.028 -1.000 8.017 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.656 -0.351 7.983 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.070 -0.746 4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.637 -3.319 8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.842 -2.766 3.618 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.414 -5.330 6.687 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.845 -5.859 4.329 1.00 0.00 H new ATOM 648 N ARG A 41 -0.166 1.727 8.163 1.00 0.00 N ATOM 649 CA ARG A 41 0.088 2.850 9.049 1.00 0.00 C ATOM 650 C ARG A 41 0.177 4.150 8.247 1.00 0.00 C ATOM 651 O ARG A 41 -0.358 5.177 8.662 1.00 0.00 O ATOM 652 CB ARG A 41 1.389 2.651 9.830 1.00 0.00 C ATOM 653 CG ARG A 41 1.314 3.326 11.201 1.00 0.00 C ATOM 654 CD ARG A 41 2.277 2.667 12.190 1.00 0.00 C ATOM 655 NE ARG A 41 3.652 3.168 11.967 1.00 0.00 N ATOM 656 CZ ARG A 41 4.561 3.324 12.939 1.00 0.00 C ATOM 657 NH1 ARG A 41 4.248 3.019 14.206 1.00 0.00 N ATOM 658 NH2 ARG A 41 5.785 3.785 12.644 1.00 0.00 N ATOM 0 H ARG A 41 0.521 0.975 8.219 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.741 2.910 9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.583 1.586 9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.224 3.062 9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.556 4.384 11.103 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.296 3.266 11.585 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.964 2.881 13.212 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.251 1.584 12.069 1.00 0.00 H new ATOM 0 HE ARG A 41 3.924 3.409 11.014 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.317 2.668 14.431 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.941 3.138 14.945 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.024 4.017 11.680 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.477 3.904 13.384 1.00 0.00 H new ATOM 672 N GLU A 42 0.855 4.063 7.113 1.00 0.00 N ATOM 673 CA GLU A 42 1.021 5.219 6.249 1.00 0.00 C ATOM 674 C GLU A 42 -0.212 5.400 5.361 1.00 0.00 C ATOM 675 O GLU A 42 -0.405 6.460 4.769 1.00 0.00 O ATOM 676 CB GLU A 42 2.291 5.096 5.405 1.00 0.00 C ATOM 677 CG GLU A 42 3.367 6.070 5.888 1.00 0.00 C ATOM 678 CD GLU A 42 3.848 5.702 7.293 1.00 0.00 C ATOM 679 OE1 GLU A 42 3.192 6.158 8.254 1.00 0.00 O ATOM 680 OE2 GLU A 42 4.861 4.975 7.374 1.00 0.00 O ATOM 0 H GLU A 42 1.296 3.209 6.772 1.00 0.00 H new ATOM 0 HA GLU A 42 1.126 6.104 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.669 4.075 5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.058 5.296 4.359 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.210 6.059 5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.970 7.085 5.890 1.00 0.00 H new ATOM 687 N LYS A 43 -1.015 4.348 5.298 1.00 0.00 N ATOM 688 CA LYS A 43 -2.225 4.377 4.493 1.00 0.00 C ATOM 689 C LYS A 43 -3.438 4.140 5.394 1.00 0.00 C ATOM 690 O LYS A 43 -4.221 3.221 5.158 1.00 0.00 O ATOM 691 CB LYS A 43 -2.119 3.386 3.331 1.00 0.00 C ATOM 692 CG LYS A 43 -2.425 4.071 1.998 1.00 0.00 C ATOM 693 CD LYS A 43 -1.230 3.977 1.046 1.00 0.00 C ATOM 694 CE LYS A 43 -1.663 4.208 -0.403 1.00 0.00 C ATOM 695 NZ LYS A 43 -1.586 2.947 -1.174 1.00 0.00 N ATOM 0 H LYS A 43 -0.852 3.470 5.791 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.355 5.358 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.117 2.959 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.813 2.560 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.298 3.607 1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.675 5.118 2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.478 4.715 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.764 2.996 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.682 4.594 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.025 4.962 -0.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.883 3.121 -2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.608 2.594 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.213 2.238 -0.743 1.00 0.00 H new ATOM 709 N PHE A 44 -3.556 4.984 6.409 1.00 0.00 N ATOM 710 CA PHE A 44 -4.660 4.878 7.346 1.00 0.00 C ATOM 711 C PHE A 44 -5.589 6.089 7.238 1.00 0.00 C ATOM 712 O PHE A 44 -5.754 6.837 8.201 1.00 0.00 O ATOM 713 CB PHE A 44 -4.053 4.840 8.750 1.00 0.00 C ATOM 714 CG PHE A 44 -4.915 4.108 9.781 1.00 0.00 C ATOM 715 CD1 PHE A 44 -6.012 4.719 10.306 1.00 0.00 C ATOM 716 CD2 PHE A 44 -4.586 2.848 10.173 1.00 0.00 C ATOM 717 CE1 PHE A 44 -6.812 4.040 11.263 1.00 0.00 C ATOM 718 CE2 PHE A 44 -5.386 2.170 11.130 1.00 0.00 C ATOM 719 CZ PHE A 44 -6.482 2.780 11.655 1.00 0.00 C ATOM 0 H PHE A 44 -2.904 5.744 6.602 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.246 3.984 7.131 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.077 4.358 8.700 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.887 5.862 9.091 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.274 5.720 9.995 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.716 2.363 9.756 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.683 4.524 11.680 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.124 1.170 11.441 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.090 2.264 12.383 1.00 0.00 H new ATOM 729 N PRO A 45 -6.187 6.249 6.027 1.00 0.00 N ATOM 730 CA PRO A 45 -7.095 7.356 5.781 1.00 0.00 C ATOM 731 C PRO A 45 -8.447 7.117 6.456 1.00 0.00 C ATOM 732 O PRO A 45 -9.216 8.054 6.663 1.00 0.00 O ATOM 733 CB PRO A 45 -7.196 7.453 4.268 1.00 0.00 C ATOM 734 CG PRO A 45 -6.714 6.115 3.731 1.00 0.00 C ATOM 735 CD PRO A 45 -6.015 5.382 4.865 1.00 0.00 C ATOM 0 HA PRO A 45 -6.738 8.295 6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.222 7.652 3.957 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.583 8.270 3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.554 5.529 3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.031 6.263 2.894 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.457 4.400 5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -4.960 5.222 4.643 1.00 0.00 H new ATOM 743 N ALA A 46 -8.696 5.856 6.781 1.00 0.00 N ATOM 744 CA ALA A 46 -9.942 5.482 7.428 1.00 0.00 C ATOM 745 C ALA A 46 -9.943 3.975 7.689 1.00 0.00 C ATOM 746 O ALA A 46 -10.877 3.274 7.303 1.00 0.00 O ATOM 747 CB ALA A 46 -11.121 5.924 6.559 1.00 0.00 C ATOM 0 H ALA A 46 -8.056 5.081 6.608 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.041 5.984 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.056 5.644 7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.091 7.006 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.058 5.438 5.585 1.00 0.00 H new ATOM 753 N TRP A 47 -8.885 3.519 8.344 1.00 0.00 N ATOM 754 CA TRP A 47 -8.752 2.107 8.661 1.00 0.00 C ATOM 755 C TRP A 47 -9.760 1.774 9.763 1.00 0.00 C ATOM 756 O TRP A 47 -10.474 0.776 9.674 1.00 0.00 O ATOM 757 CB TRP A 47 -7.311 1.765 9.046 1.00 0.00 C ATOM 758 CG TRP A 47 -6.486 1.172 7.902 1.00 0.00 C ATOM 759 CD1 TRP A 47 -5.276 1.557 7.472 1.00 0.00 C ATOM 760 CD2 TRP A 47 -6.861 0.066 7.055 1.00 0.00 C ATOM 761 NE1 TRP A 47 -4.846 0.782 6.414 1.00 0.00 N ATOM 762 CE2 TRP A 47 -5.841 -0.153 6.152 1.00 0.00 C ATOM 763 CE3 TRP A 47 -8.024 -0.723 7.051 1.00 0.00 C ATOM 764 CZ2 TRP A 47 -5.881 -1.159 5.179 1.00 0.00 C ATOM 765 CZ3 TRP A 47 -8.049 -1.724 6.072 1.00 0.00 C ATOM 766 CH2 TRP A 47 -7.030 -1.957 5.156 1.00 0.00 C ATOM 0 H TRP A 47 -8.112 4.103 8.664 1.00 0.00 H new ATOM 0 HA TRP A 47 -8.974 1.493 7.788 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -6.818 2.668 9.406 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.325 1.057 9.875 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.709 2.371 7.900 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.961 0.878 5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.835 -0.569 7.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.069 -1.311 4.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -8.921 -2.359 6.026 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.125 -2.751 4.430 1.00 0.00 H new ATOM 777 N GLN A 48 -9.785 2.627 10.776 1.00 0.00 N ATOM 778 CA GLN A 48 -10.694 2.435 11.894 1.00 0.00 C ATOM 779 C GLN A 48 -12.090 2.070 11.386 1.00 0.00 C ATOM 780 O GLN A 48 -12.811 1.313 12.033 1.00 0.00 O ATOM 781 CB GLN A 48 -10.742 3.681 12.781 1.00 0.00 C ATOM 782 CG GLN A 48 -12.009 3.695 13.637 1.00 0.00 C ATOM 783 CD GLN A 48 -13.174 4.339 12.882 1.00 0.00 C ATOM 784 OE1 GLN A 48 -14.096 3.474 12.470 1.00 0.00 O flip ATOM 785 NE2 GLN A 48 -13.231 5.542 12.687 1.00 0.00 N flip ATOM 0 H GLN A 48 -9.191 3.453 10.846 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.323 1.610 12.502 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -9.863 3.707 13.425 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -10.709 4.576 12.160 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.273 2.676 13.919 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -11.822 4.243 14.561 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -12.488 6.150 13.031 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.022 5.940 12.180 1.00 0.00 H new ATOM 794 N ASN A 49 -12.429 2.625 10.232 1.00 0.00 N ATOM 795 CA ASN A 49 -13.726 2.366 9.629 1.00 0.00 C ATOM 796 C ASN A 49 -13.673 1.044 8.862 1.00 0.00 C ATOM 797 O ASN A 49 -14.549 0.195 9.019 1.00 0.00 O ATOM 798 CB ASN A 49 -14.105 3.472 8.642 1.00 0.00 C ATOM 799 CG ASN A 49 -13.971 4.853 9.286 1.00 0.00 C ATOM 800 OD1 ASN A 49 -14.034 5.011 10.494 1.00 0.00 O ATOM 801 ND2 ASN A 49 -13.783 5.840 8.416 1.00 0.00 N ATOM 0 H ASN A 49 -11.828 3.253 9.698 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.467 2.326 10.427 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.464 3.414 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -15.130 3.324 8.301 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -13.682 6.799 8.747 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -13.740 5.638 7.417 1.00 0.00 H new ATOM 808 N SER A 50 -12.636 0.910 8.048 1.00 0.00 N ATOM 809 CA SER A 50 -12.457 -0.294 7.255 1.00 0.00 C ATOM 810 C SER A 50 -12.261 -1.501 8.175 1.00 0.00 C ATOM 811 O SER A 50 -12.670 -2.612 7.843 1.00 0.00 O ATOM 812 CB SER A 50 -11.269 -0.155 6.302 1.00 0.00 C ATOM 813 OG SER A 50 -11.153 -1.273 5.426 1.00 0.00 O ATOM 0 H SER A 50 -11.911 1.616 7.921 1.00 0.00 H new ATOM 0 HA SER A 50 -13.354 -0.444 6.654 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.381 0.756 5.714 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.351 -0.051 6.880 1.00 0.00 H new ATOM 0 HG SER A 50 -10.213 -1.542 5.361 1.00 0.00 H new ATOM 819 N ILE A 51 -11.634 -1.242 9.313 1.00 0.00 N ATOM 820 CA ILE A 51 -11.378 -2.293 10.283 1.00 0.00 C ATOM 821 C ILE A 51 -12.686 -2.660 10.987 1.00 0.00 C ATOM 822 O ILE A 51 -13.098 -3.819 10.975 1.00 0.00 O ATOM 823 CB ILE A 51 -10.259 -1.879 11.240 1.00 0.00 C ATOM 824 CG1 ILE A 51 -10.784 -0.927 12.317 1.00 0.00 C ATOM 825 CG2 ILE A 51 -9.076 -1.282 10.475 1.00 0.00 C ATOM 826 CD1 ILE A 51 -9.672 -0.540 13.295 1.00 0.00 C ATOM 0 H ILE A 51 -11.296 -0.319 9.585 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.020 -3.194 9.784 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.896 -2.772 11.748 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -11.190 -0.030 11.849 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.602 -1.401 12.860 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.294 -0.996 11.179 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.683 -2.022 9.778 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.406 -0.402 9.923 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.071 0.137 14.050 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.285 -1.437 13.779 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.867 -0.044 12.753 1.00 0.00 H new ATOM 838 N ARG A 52 -13.302 -1.651 11.585 1.00 0.00 N ATOM 839 CA ARG A 52 -14.554 -1.853 12.294 1.00 0.00 C ATOM 840 C ARG A 52 -15.635 -2.348 11.330 1.00 0.00 C ATOM 841 O ARG A 52 -16.650 -2.895 11.759 1.00 0.00 O ATOM 842 CB ARG A 52 -15.027 -0.558 12.957 1.00 0.00 C ATOM 843 CG ARG A 52 -14.747 -0.579 14.462 1.00 0.00 C ATOM 844 CD ARG A 52 -13.686 0.457 14.837 1.00 0.00 C ATOM 845 NE ARG A 52 -14.323 1.773 15.066 1.00 0.00 N ATOM 846 CZ ARG A 52 -13.784 2.749 15.809 1.00 0.00 C ATOM 847 NH1 ARG A 52 -12.596 2.563 16.400 1.00 0.00 N ATOM 848 NH2 ARG A 52 -14.433 3.912 15.961 1.00 0.00 N ATOM 0 H ARG A 52 -12.957 -0.691 11.593 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.380 -2.601 13.067 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -14.522 0.294 12.501 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.095 -0.425 12.784 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.667 -0.377 15.010 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.411 -1.573 14.759 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.156 0.139 15.735 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.945 0.536 14.041 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.229 1.948 14.631 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.102 1.678 16.284 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.186 3.306 16.966 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.337 4.054 15.511 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.023 4.655 16.527 1.00 0.00 H new ATOM 862 N HIS A 53 -15.381 -2.137 10.047 1.00 0.00 N ATOM 863 CA HIS A 53 -16.319 -2.555 9.020 1.00 0.00 C ATOM 864 C HIS A 53 -16.120 -4.041 8.717 1.00 0.00 C ATOM 865 O HIS A 53 -17.058 -4.831 8.821 1.00 0.00 O ATOM 866 CB HIS A 53 -16.191 -1.674 7.776 1.00 0.00 C ATOM 867 CG HIS A 53 -17.097 -2.081 6.638 1.00 0.00 C ATOM 868 ND1 HIS A 53 -16.688 -2.925 5.620 1.00 0.00 N ATOM 869 CD2 HIS A 53 -18.393 -1.753 6.370 1.00 0.00 C ATOM 870 CE1 HIS A 53 -17.701 -3.090 4.782 1.00 0.00 C ATOM 871 NE2 HIS A 53 -18.757 -2.362 5.248 1.00 0.00 N ATOM 0 H HIS A 53 -14.539 -1.682 9.695 1.00 0.00 H new ATOM 0 HA HIS A 53 -17.339 -2.427 9.381 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -16.411 -0.642 8.050 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -15.157 -1.699 7.431 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -19.018 -1.107 6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -17.692 -3.695 3.887 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -19.674 -2.297 4.807 1.00 0.00 H new ATOM 879 N ASN A 54 -14.893 -4.378 8.348 1.00 0.00 N ATOM 880 CA ASN A 54 -14.559 -5.756 8.029 1.00 0.00 C ATOM 881 C ASN A 54 -14.532 -6.581 9.317 1.00 0.00 C ATOM 882 O ASN A 54 -14.622 -7.807 9.275 1.00 0.00 O ATOM 883 CB ASN A 54 -13.178 -5.851 7.377 1.00 0.00 C ATOM 884 CG ASN A 54 -13.118 -5.018 6.095 1.00 0.00 C ATOM 885 OD1 ASN A 54 -12.352 -4.078 5.971 1.00 0.00 O ATOM 886 ND2 ASN A 54 -13.968 -5.416 5.152 1.00 0.00 N ATOM 0 H ASN A 54 -14.118 -3.721 8.263 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.311 -6.134 7.337 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.417 -5.504 8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.950 -6.892 7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.005 -4.925 4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.582 -6.212 5.322 1.00 0.00 H new ATOM 893 N LEU A 55 -14.408 -5.875 10.432 1.00 0.00 N ATOM 894 CA LEU A 55 -14.367 -6.527 11.730 1.00 0.00 C ATOM 895 C LEU A 55 -15.795 -6.834 12.185 1.00 0.00 C ATOM 896 O LEU A 55 -16.124 -7.983 12.476 1.00 0.00 O ATOM 897 CB LEU A 55 -13.571 -5.684 12.728 1.00 0.00 C ATOM 898 CG LEU A 55 -13.157 -6.389 14.021 1.00 0.00 C ATOM 899 CD1 LEU A 55 -13.204 -7.910 13.856 1.00 0.00 C ATOM 900 CD2 LEU A 55 -11.784 -5.907 14.493 1.00 0.00 C ATOM 0 H LEU A 55 -14.335 -4.858 10.463 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.841 -7.479 11.663 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.671 -5.322 12.231 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.165 -4.808 12.989 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.875 -6.127 14.798 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.905 -8.387 14.790 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.218 -8.217 13.600 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.522 -8.211 13.061 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.514 -6.424 15.414 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.040 -6.120 13.725 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.819 -4.833 14.677 1.00 0.00 H new ATOM 912 N SER A 56 -16.605 -5.787 12.234 1.00 0.00 N ATOM 913 CA SER A 56 -17.990 -5.931 12.650 1.00 0.00 C ATOM 914 C SER A 56 -18.819 -6.529 11.512 1.00 0.00 C ATOM 915 O SER A 56 -19.528 -7.515 11.707 1.00 0.00 O ATOM 916 CB SER A 56 -18.577 -4.586 13.083 1.00 0.00 C ATOM 917 OG SER A 56 -18.877 -3.750 11.969 1.00 0.00 O ATOM 0 H SER A 56 -16.329 -4.835 11.993 1.00 0.00 H new ATOM 0 HA SER A 56 -18.021 -6.604 13.507 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.484 -4.756 13.663 1.00 0.00 H new ATOM 0 HB3 SER A 56 -17.871 -4.077 13.739 1.00 0.00 H new ATOM 0 HG SER A 56 -18.080 -3.235 11.722 1.00 0.00 H new ATOM 923 N LEU A 57 -18.701 -5.909 10.347 1.00 0.00 N ATOM 924 CA LEU A 57 -19.430 -6.368 9.177 1.00 0.00 C ATOM 925 C LEU A 57 -18.702 -7.566 8.565 1.00 0.00 C ATOM 926 O LEU A 57 -18.013 -7.429 7.556 1.00 0.00 O ATOM 927 CB LEU A 57 -19.650 -5.215 8.196 1.00 0.00 C ATOM 928 CG LEU A 57 -21.107 -4.844 7.913 1.00 0.00 C ATOM 929 CD1 LEU A 57 -21.384 -3.386 8.287 1.00 0.00 C ATOM 930 CD2 LEU A 57 -21.477 -5.143 6.459 1.00 0.00 C ATOM 0 H LEU A 57 -18.111 -5.092 10.188 1.00 0.00 H new ATOM 0 HA LEU A 57 -20.426 -6.710 9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -19.140 -4.333 8.583 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -19.171 -5.472 7.251 1.00 0.00 H new ATOM 0 HG LEU A 57 -21.746 -5.465 8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -22.427 -3.148 8.076 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -21.186 -3.239 9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -20.737 -2.731 7.703 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -22.518 -4.870 6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -20.834 -4.566 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -21.343 -6.206 6.261 1.00 0.00 H new ATOM 942 N ASN A 58 -18.879 -8.715 9.202 1.00 0.00 N ATOM 943 CA ASN A 58 -18.247 -9.936 8.733 1.00 0.00 C ATOM 944 C ASN A 58 -18.342 -11.005 9.823 1.00 0.00 C ATOM 945 O ASN A 58 -18.919 -12.070 9.605 1.00 0.00 O ATOM 946 CB ASN A 58 -16.766 -9.706 8.424 1.00 0.00 C ATOM 947 CG ASN A 58 -16.430 -10.140 6.996 1.00 0.00 C ATOM 948 OD1 ASN A 58 -15.522 -10.917 6.753 1.00 0.00 O ATOM 949 ND2 ASN A 58 -17.212 -9.596 6.067 1.00 0.00 N ATOM 0 H ASN A 58 -19.451 -8.825 10.039 1.00 0.00 H new ATOM 0 HA ASN A 58 -18.760 -10.254 7.825 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.523 -8.651 8.554 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.152 -10.264 9.131 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.069 -9.823 5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.955 -8.952 6.339 1.00 0.00 H new ATOM 956 N ASP A 59 -17.767 -10.685 10.973 1.00 0.00 N ATOM 957 CA ASP A 59 -17.780 -11.605 12.098 1.00 0.00 C ATOM 958 C ASP A 59 -19.215 -11.768 12.602 1.00 0.00 C ATOM 959 O ASP A 59 -19.738 -12.881 12.648 1.00 0.00 O ATOM 960 CB ASP A 59 -16.930 -11.074 13.254 1.00 0.00 C ATOM 961 CG ASP A 59 -15.464 -11.511 13.233 1.00 0.00 C ATOM 962 OD1 ASP A 59 -15.223 -12.703 13.523 1.00 0.00 O ATOM 963 OD2 ASP A 59 -14.618 -10.643 12.928 1.00 0.00 O ATOM 0 H ASP A 59 -17.289 -9.801 11.150 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.373 -12.557 11.759 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.969 -9.985 13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.377 -11.400 14.193 1.00 0.00 H new ATOM 968 N CYS A 60 -19.812 -10.643 12.966 1.00 0.00 N ATOM 969 CA CYS A 60 -21.177 -10.647 13.465 1.00 0.00 C ATOM 970 C CYS A 60 -21.134 -10.869 14.978 1.00 0.00 C ATOM 971 O CYS A 60 -21.761 -11.795 15.491 1.00 0.00 O ATOM 972 CB CYS A 60 -22.034 -11.698 12.758 1.00 0.00 C ATOM 973 SG CYS A 60 -23.724 -11.048 12.488 1.00 0.00 S ATOM 0 H CYS A 60 -19.376 -9.722 12.925 1.00 0.00 H new ATOM 0 HA CYS A 60 -21.648 -9.687 13.253 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -21.582 -11.966 11.803 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -22.077 -12.608 13.357 1.00 0.00 H new ATOM 0 HG CYS A 60 -24.444 -11.947 11.885 1.00 0.00 H new ATOM 979 N PHE A 61 -20.389 -10.004 15.651 1.00 0.00 N ATOM 980 CA PHE A 61 -20.257 -10.095 17.095 1.00 0.00 C ATOM 981 C PHE A 61 -20.700 -8.794 17.768 1.00 0.00 C ATOM 982 O PHE A 61 -21.371 -7.969 17.151 1.00 0.00 O ATOM 983 CB PHE A 61 -18.775 -10.331 17.395 1.00 0.00 C ATOM 984 CG PHE A 61 -17.826 -9.457 16.572 1.00 0.00 C ATOM 985 CD1 PHE A 61 -18.128 -8.149 16.349 1.00 0.00 C ATOM 986 CD2 PHE A 61 -16.682 -9.987 16.063 1.00 0.00 C ATOM 987 CE1 PHE A 61 -17.247 -7.338 15.586 1.00 0.00 C ATOM 988 CE2 PHE A 61 -15.802 -9.176 15.300 1.00 0.00 C ATOM 989 CZ PHE A 61 -16.103 -7.868 15.077 1.00 0.00 C ATOM 0 H PHE A 61 -19.871 -9.237 15.223 1.00 0.00 H new ATOM 0 HA PHE A 61 -20.883 -10.902 17.476 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -18.596 -10.147 18.454 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -18.540 -11.379 17.210 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -19.037 -7.728 16.752 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -16.443 -11.025 16.239 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -17.486 -6.300 15.410 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -14.893 -9.597 14.896 1.00 0.00 H new ATOM 0 HZ PHE A 61 -15.434 -7.251 14.496 1.00 0.00 H new ATOM 999 N VAL A 62 -20.306 -8.652 19.025 1.00 0.00 N ATOM 1000 CA VAL A 62 -20.654 -7.466 19.789 1.00 0.00 C ATOM 1001 C VAL A 62 -19.373 -6.750 20.222 1.00 0.00 C ATOM 1002 O VAL A 62 -18.335 -7.383 20.406 1.00 0.00 O ATOM 1003 CB VAL A 62 -21.553 -7.847 20.967 1.00 0.00 C ATOM 1004 CG1 VAL A 62 -22.855 -8.486 20.478 1.00 0.00 C ATOM 1005 CG2 VAL A 62 -20.820 -8.773 21.940 1.00 0.00 C ATOM 0 H VAL A 62 -19.749 -9.339 19.534 1.00 0.00 H new ATOM 0 HA VAL A 62 -21.224 -6.770 19.174 1.00 0.00 H new ATOM 0 HB VAL A 62 -21.808 -6.933 21.503 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -23.476 -8.748 21.335 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.391 -7.780 19.843 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -22.627 -9.386 19.907 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -21.482 -9.028 22.768 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -20.521 -9.683 21.420 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -19.935 -8.268 22.326 1.00 0.00 H new ATOM 1015 N LYS A 63 -19.489 -5.438 20.373 1.00 0.00 N ATOM 1016 CA LYS A 63 -18.353 -4.629 20.781 1.00 0.00 C ATOM 1017 C LYS A 63 -18.762 -3.741 21.958 1.00 0.00 C ATOM 1018 O LYS A 63 -19.933 -3.699 22.331 1.00 0.00 O ATOM 1019 CB LYS A 63 -17.794 -3.851 19.589 1.00 0.00 C ATOM 1020 CG LYS A 63 -17.883 -4.677 18.304 1.00 0.00 C ATOM 1021 CD LYS A 63 -19.217 -4.443 17.593 1.00 0.00 C ATOM 1022 CE LYS A 63 -18.998 -3.901 16.180 1.00 0.00 C ATOM 1023 NZ LYS A 63 -18.846 -2.429 16.207 1.00 0.00 N ATOM 0 H LYS A 63 -20.352 -4.916 20.220 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.538 -5.264 21.128 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.347 -2.920 19.466 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.755 -3.581 19.781 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -17.061 -4.411 17.639 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.773 -5.736 18.540 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.776 -5.377 17.545 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -19.820 -3.739 18.167 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.109 -4.356 15.743 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.841 -4.174 15.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -19.361 -2.012 15.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.232 -2.056 17.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.838 -2.183 16.136 1.00 0.00 H new ATOM 1037 N ILE A 64 -17.773 -3.053 22.511 1.00 0.00 N ATOM 1038 CA ILE A 64 -18.015 -2.169 23.638 1.00 0.00 C ATOM 1039 C ILE A 64 -17.687 -0.731 23.231 1.00 0.00 C ATOM 1040 O ILE A 64 -16.551 -0.428 22.868 1.00 0.00 O ATOM 1041 CB ILE A 64 -17.248 -2.650 24.871 1.00 0.00 C ATOM 1042 CG1 ILE A 64 -17.898 -2.134 26.157 1.00 0.00 C ATOM 1043 CG2 ILE A 64 -15.770 -2.266 24.781 1.00 0.00 C ATOM 1044 CD1 ILE A 64 -18.872 -3.165 26.731 1.00 0.00 C ATOM 0 H ILE A 64 -16.803 -3.090 22.199 1.00 0.00 H new ATOM 0 HA ILE A 64 -19.068 -2.189 23.919 1.00 0.00 H new ATOM 0 HB ILE A 64 -17.296 -3.739 24.901 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -17.127 -1.908 26.893 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -18.427 -1.203 25.953 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -15.247 -2.620 25.670 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.329 -2.722 23.895 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.679 -1.182 24.714 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -19.320 -2.773 27.644 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -19.656 -3.371 26.002 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.335 -4.087 26.956 1.00 0.00 H new ATOM 1056 N PRO A 65 -18.729 0.140 23.308 1.00 0.00 N ATOM 1057 CA PRO A 65 -18.562 1.539 22.953 1.00 0.00 C ATOM 1058 C PRO A 65 -17.804 2.296 24.045 1.00 0.00 C ATOM 1059 O PRO A 65 -17.307 1.691 24.994 1.00 0.00 O ATOM 1060 CB PRO A 65 -19.973 2.062 22.739 1.00 0.00 C ATOM 1061 CG PRO A 65 -20.894 1.070 23.431 1.00 0.00 C ATOM 1062 CD PRO A 65 -20.087 -0.182 23.734 1.00 0.00 C ATOM 0 HA PRO A 65 -17.960 1.675 22.055 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -20.087 3.061 23.160 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -20.205 2.135 21.677 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -21.294 1.498 24.350 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -21.745 0.831 22.794 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -20.121 -0.428 24.795 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -20.477 -1.045 23.194 1.00 0.00 H new ATOM 1070 N ARG A 66 -17.738 3.608 23.875 1.00 0.00 N ATOM 1071 CA ARG A 66 -17.048 4.454 24.834 1.00 0.00 C ATOM 1072 C ARG A 66 -17.238 3.912 26.252 1.00 0.00 C ATOM 1073 O ARG A 66 -18.248 4.190 26.897 1.00 0.00 O ATOM 1074 CB ARG A 66 -17.566 5.893 24.772 1.00 0.00 C ATOM 1075 CG ARG A 66 -16.892 6.764 25.834 1.00 0.00 C ATOM 1076 CD ARG A 66 -15.996 7.822 25.187 1.00 0.00 C ATOM 1077 NE ARG A 66 -15.654 8.869 26.176 1.00 0.00 N ATOM 1078 CZ ARG A 66 -14.745 8.716 27.148 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -14.080 7.559 27.267 1.00 0.00 N ATOM 1080 NH2 ARG A 66 -14.499 9.720 28.001 1.00 0.00 N ATOM 0 H ARG A 66 -18.151 4.106 23.087 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.988 4.450 24.578 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.378 6.309 23.782 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.646 5.901 24.921 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.651 7.250 26.446 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -16.299 6.138 26.500 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.086 7.357 24.808 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.505 8.269 24.333 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.141 9.763 26.113 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.266 6.795 26.618 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.388 7.442 28.007 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.004 10.602 27.910 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.807 9.603 28.741 1.00 0.00 H new ATOM 1094 N GLU A 67 -16.251 3.148 26.696 1.00 0.00 N ATOM 1095 CA GLU A 67 -16.297 2.564 28.026 1.00 0.00 C ATOM 1096 C GLU A 67 -15.331 3.297 28.961 1.00 0.00 C ATOM 1097 O GLU A 67 -14.181 3.542 28.602 1.00 0.00 O ATOM 1098 CB GLU A 67 -15.984 1.067 27.979 1.00 0.00 C ATOM 1099 CG GLU A 67 -15.975 0.465 29.385 1.00 0.00 C ATOM 1100 CD GLU A 67 -17.346 -0.113 29.744 1.00 0.00 C ATOM 1101 OE1 GLU A 67 -18.349 0.506 29.327 1.00 0.00 O ATOM 1102 OE2 GLU A 67 -17.360 -1.160 30.426 1.00 0.00 O ATOM 0 H GLU A 67 -15.415 2.920 26.159 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.308 2.678 28.417 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.726 0.556 27.365 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.015 0.909 27.506 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.220 -0.318 29.444 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.698 1.230 30.110 1.00 0.00 H new ATOM 1109 N PRO A 68 -15.849 3.633 30.172 1.00 0.00 N ATOM 1110 CA PRO A 68 -15.046 4.333 31.161 1.00 0.00 C ATOM 1111 C PRO A 68 -14.037 3.387 31.816 1.00 0.00 C ATOM 1112 O PRO A 68 -14.265 2.899 32.922 1.00 0.00 O ATOM 1113 CB PRO A 68 -16.049 4.907 32.148 1.00 0.00 C ATOM 1114 CG PRO A 68 -17.335 4.123 31.939 1.00 0.00 C ATOM 1115 CD PRO A 68 -17.207 3.359 30.632 1.00 0.00 C ATOM 0 HA PRO A 68 -14.439 5.126 30.725 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.691 4.805 33.173 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.207 5.971 31.970 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.502 3.436 32.768 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.192 4.796 31.905 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -17.366 2.291 30.781 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.946 3.693 29.904 1.00 0.00 H new ATOM 1123 N GLY A 69 -12.942 3.157 31.106 1.00 0.00 N ATOM 1124 CA GLY A 69 -11.898 2.278 31.604 1.00 0.00 C ATOM 1125 C GLY A 69 -10.511 2.861 31.325 1.00 0.00 C ATOM 1126 O GLY A 69 -9.700 3.009 32.238 1.00 0.00 O ATOM 0 H GLY A 69 -12.755 3.564 30.190 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.025 2.128 32.676 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.986 1.299 31.133 1.00 0.00 H new ATOM 1130 N ASN A 70 -10.282 3.177 30.059 1.00 0.00 N ATOM 1131 CA ASN A 70 -9.007 3.741 29.647 1.00 0.00 C ATOM 1132 C ASN A 70 -9.254 4.881 28.657 1.00 0.00 C ATOM 1133 O ASN A 70 -9.750 4.653 27.554 1.00 0.00 O ATOM 1134 CB ASN A 70 -8.139 2.691 28.952 1.00 0.00 C ATOM 1135 CG ASN A 70 -8.450 1.288 29.477 1.00 0.00 C ATOM 1136 OD1 ASN A 70 -7.840 0.798 30.413 1.00 0.00 O ATOM 1137 ND2 ASN A 70 -9.430 0.671 28.823 1.00 0.00 N ATOM 0 H ASN A 70 -10.957 3.053 29.305 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.494 4.100 30.539 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.310 2.727 27.876 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.086 2.919 29.115 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.712 -0.270 29.097 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.899 1.139 28.048 1.00 0.00 H new ATOM 1144 N PRO A 71 -8.889 6.115 29.097 1.00 0.00 N ATOM 1145 CA PRO A 71 -9.066 7.290 28.262 1.00 0.00 C ATOM 1146 C PRO A 71 -8.014 7.337 27.151 1.00 0.00 C ATOM 1147 O PRO A 71 -6.857 7.672 27.400 1.00 0.00 O ATOM 1148 CB PRO A 71 -8.974 8.469 29.217 1.00 0.00 C ATOM 1149 CG PRO A 71 -8.289 7.940 30.467 1.00 0.00 C ATOM 1150 CD PRO A 71 -8.299 6.422 30.397 1.00 0.00 C ATOM 0 HA PRO A 71 -10.021 7.293 27.737 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.404 9.286 28.775 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.964 8.861 29.450 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.266 8.313 30.529 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.808 8.284 31.361 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.291 6.015 30.481 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.885 5.992 31.209 1.00 0.00 H new ATOM 1158 N GLY A 72 -8.455 6.997 25.949 1.00 0.00 N ATOM 1159 CA GLY A 72 -7.566 6.996 24.799 1.00 0.00 C ATOM 1160 C GLY A 72 -8.054 6.015 23.730 1.00 0.00 C ATOM 1161 O GLY A 72 -8.929 6.346 22.932 1.00 0.00 O ATOM 0 H GLY A 72 -9.416 6.720 25.746 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.509 8.000 24.378 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.558 6.725 25.114 1.00 0.00 H new ATOM 1165 N LYS A 73 -7.466 4.828 23.750 1.00 0.00 N ATOM 1166 CA LYS A 73 -7.829 3.797 22.793 1.00 0.00 C ATOM 1167 C LYS A 73 -7.801 2.432 23.484 1.00 0.00 C ATOM 1168 O LYS A 73 -7.094 1.526 23.047 1.00 0.00 O ATOM 1169 CB LYS A 73 -6.935 3.877 21.554 1.00 0.00 C ATOM 1170 CG LYS A 73 -5.461 3.711 21.930 1.00 0.00 C ATOM 1171 CD LYS A 73 -4.553 4.004 20.733 1.00 0.00 C ATOM 1172 CE LYS A 73 -3.105 3.614 21.035 1.00 0.00 C ATOM 1173 NZ LYS A 73 -2.170 4.597 20.444 1.00 0.00 N ATOM 0 H LYS A 73 -6.741 4.557 24.414 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.847 3.952 22.434 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.222 3.102 20.843 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.081 4.836 21.057 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.214 4.383 22.752 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.285 2.696 22.285 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.907 3.455 19.861 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.604 5.064 20.484 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.953 3.562 22.113 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.899 2.621 20.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.191 4.318 20.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.304 4.627 19.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.357 5.538 20.845 1.00 0.00 H new ATOM 1187 N GLY A 74 -8.579 2.329 24.551 1.00 0.00 N ATOM 1188 CA GLY A 74 -8.653 1.090 25.307 1.00 0.00 C ATOM 1189 C GLY A 74 -10.101 0.614 25.440 1.00 0.00 C ATOM 1190 O GLY A 74 -10.813 1.029 26.353 1.00 0.00 O ATOM 0 H GLY A 74 -9.164 3.083 24.910 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.058 0.322 24.813 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.223 1.238 26.297 1.00 0.00 H new ATOM 1194 N ASN A 75 -10.493 -0.250 24.515 1.00 0.00 N ATOM 1195 CA ASN A 75 -11.843 -0.786 24.518 1.00 0.00 C ATOM 1196 C ASN A 75 -11.780 -2.313 24.593 1.00 0.00 C ATOM 1197 O ASN A 75 -10.774 -2.876 25.023 1.00 0.00 O ATOM 1198 CB ASN A 75 -12.590 -0.407 23.237 1.00 0.00 C ATOM 1199 CG ASN A 75 -11.981 -1.106 22.020 1.00 0.00 C ATOM 1200 OD1 ASN A 75 -10.781 -1.095 21.801 1.00 0.00 O ATOM 1201 ND2 ASN A 75 -12.873 -1.713 21.243 1.00 0.00 N ATOM 0 H ASN A 75 -9.900 -0.592 23.759 1.00 0.00 H new ATOM 0 HA ASN A 75 -12.368 -0.371 25.378 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.641 -0.681 23.330 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -12.553 0.673 23.096 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.567 -2.208 20.406 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.864 -1.683 21.484 1.00 0.00 H new ATOM 1208 N TYR A 76 -12.868 -2.940 24.169 1.00 0.00 N ATOM 1209 CA TYR A 76 -12.948 -4.391 24.183 1.00 0.00 C ATOM 1210 C TYR A 76 -14.016 -4.890 23.208 1.00 0.00 C ATOM 1211 O TYR A 76 -15.088 -4.296 23.097 1.00 0.00 O ATOM 1212 CB TYR A 76 -13.355 -4.777 25.607 1.00 0.00 C ATOM 1213 CG TYR A 76 -12.700 -3.923 26.694 1.00 0.00 C ATOM 1214 CD1 TYR A 76 -13.104 -2.617 26.882 1.00 0.00 C ATOM 1215 CD2 TYR A 76 -11.705 -4.458 27.486 1.00 0.00 C ATOM 1216 CE1 TYR A 76 -12.488 -1.813 27.905 1.00 0.00 C ATOM 1217 CE2 TYR A 76 -11.088 -3.654 28.509 1.00 0.00 C ATOM 1218 CZ TYR A 76 -11.510 -2.371 28.669 1.00 0.00 C ATOM 1219 OH TYR A 76 -10.928 -1.611 29.635 1.00 0.00 O ATOM 0 H TYR A 76 -13.701 -2.470 23.814 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.996 -4.831 23.886 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -14.438 -4.696 25.699 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -13.098 -5.823 25.777 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -13.882 -2.198 26.262 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -11.389 -5.480 27.339 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.795 -0.790 28.063 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.308 -4.061 29.135 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.247 -2.140 30.102 1.00 0.00 H new ATOM 1229 N TRP A 77 -13.687 -5.977 22.525 1.00 0.00 N ATOM 1230 CA TRP A 77 -14.605 -6.562 21.562 1.00 0.00 C ATOM 1231 C TRP A 77 -14.799 -8.035 21.930 1.00 0.00 C ATOM 1232 O TRP A 77 -13.837 -8.729 22.254 1.00 0.00 O ATOM 1233 CB TRP A 77 -14.099 -6.365 20.132 1.00 0.00 C ATOM 1234 CG TRP A 77 -14.338 -4.960 19.575 1.00 0.00 C ATOM 1235 CD1 TRP A 77 -14.212 -3.788 20.212 1.00 0.00 C ATOM 1236 CD2 TRP A 77 -14.754 -4.626 18.234 1.00 0.00 C ATOM 1237 NE1 TRP A 77 -14.514 -2.727 19.383 1.00 0.00 N ATOM 1238 CE2 TRP A 77 -14.854 -3.252 18.142 1.00 0.00 C ATOM 1239 CE3 TRP A 77 -15.035 -5.456 17.135 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 -15.237 -2.589 16.970 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 -15.417 -4.777 15.972 1.00 0.00 C ATOM 1242 CH2 TRP A 77 -15.522 -3.396 15.863 1.00 0.00 C ATOM 0 H TRP A 77 -12.798 -6.468 22.619 1.00 0.00 H new ATOM 0 HA TRP A 77 -15.573 -6.063 21.599 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -13.031 -6.579 20.103 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -14.588 -7.090 19.482 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -13.912 -3.686 21.244 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -14.492 -1.739 19.635 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -14.962 -6.532 17.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -15.309 -1.512 16.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -15.646 -5.368 15.098 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -15.822 -2.947 14.928 1.00 0.00 H new ATOM 1253 N THR A 78 -16.050 -8.467 21.867 1.00 0.00 N ATOM 1254 CA THR A 78 -16.382 -9.845 22.189 1.00 0.00 C ATOM 1255 C THR A 78 -17.052 -10.525 20.993 1.00 0.00 C ATOM 1256 O THR A 78 -17.972 -9.971 20.395 1.00 0.00 O ATOM 1257 CB THR A 78 -17.249 -9.839 23.449 1.00 0.00 C ATOM 1258 OG1 THR A 78 -16.424 -9.226 24.436 1.00 0.00 O ATOM 1259 CG2 THR A 78 -17.498 -11.247 23.995 1.00 0.00 C ATOM 0 H THR A 78 -16.845 -7.888 21.598 1.00 0.00 H new ATOM 0 HA THR A 78 -15.486 -10.431 22.396 1.00 0.00 H new ATOM 0 HB THR A 78 -18.203 -9.360 23.230 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.910 -9.180 25.286 1.00 0.00 H new ATOM 0 HG21 THR A 78 -18.118 -11.186 24.889 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.008 -11.845 23.240 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.545 -11.714 24.245 1.00 0.00 H new ATOM 1267 N LEU A 79 -16.564 -11.717 20.682 1.00 0.00 N ATOM 1268 CA LEU A 79 -17.104 -12.479 19.569 1.00 0.00 C ATOM 1269 C LEU A 79 -17.722 -13.775 20.096 1.00 0.00 C ATOM 1270 O LEU A 79 -17.294 -14.298 21.124 1.00 0.00 O ATOM 1271 CB LEU A 79 -16.032 -12.699 18.500 1.00 0.00 C ATOM 1272 CG LEU A 79 -16.355 -13.746 17.431 1.00 0.00 C ATOM 1273 CD1 LEU A 79 -15.882 -13.285 16.052 1.00 0.00 C ATOM 1274 CD2 LEU A 79 -15.776 -15.111 17.809 1.00 0.00 C ATOM 0 H LEU A 79 -15.801 -12.174 21.181 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.902 -11.922 19.077 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.842 -11.748 18.003 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.106 -12.989 18.997 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.438 -13.859 17.379 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.124 -14.047 15.311 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.381 -12.352 15.789 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.804 -13.127 16.071 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.019 -15.837 17.033 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.693 -15.033 17.906 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -16.202 -15.437 18.758 1.00 0.00 H new ATOM 1286 N ASP A 80 -18.719 -14.257 19.368 1.00 0.00 N ATOM 1287 CA ASP A 80 -19.401 -15.482 19.750 1.00 0.00 C ATOM 1288 C ASP A 80 -18.447 -16.666 19.575 1.00 0.00 C ATOM 1289 O ASP A 80 -17.615 -16.669 18.669 1.00 0.00 O ATOM 1290 CB ASP A 80 -20.627 -15.728 18.868 1.00 0.00 C ATOM 1291 CG ASP A 80 -21.653 -16.705 19.446 1.00 0.00 C ATOM 1292 OD1 ASP A 80 -22.487 -16.241 20.252 1.00 0.00 O ATOM 1293 OD2 ASP A 80 -21.579 -17.894 19.068 1.00 0.00 O ATOM 0 H ASP A 80 -19.071 -13.821 18.516 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.718 -15.383 20.788 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.120 -14.774 18.683 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.291 -16.106 17.902 1.00 0.00 H new ATOM 1298 N PRO A 81 -18.605 -17.669 20.479 1.00 0.00 N ATOM 1299 CA PRO A 81 -17.768 -18.856 20.433 1.00 0.00 C ATOM 1300 C PRO A 81 -18.187 -19.778 19.286 1.00 0.00 C ATOM 1301 O PRO A 81 -18.988 -20.691 19.480 1.00 0.00 O ATOM 1302 CB PRO A 81 -17.925 -19.501 21.801 1.00 0.00 C ATOM 1303 CG PRO A 81 -19.194 -18.913 22.396 1.00 0.00 C ATOM 1304 CD PRO A 81 -19.580 -17.700 21.566 1.00 0.00 C ATOM 0 HA PRO A 81 -16.721 -18.626 20.233 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -18.000 -20.585 21.715 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.063 -19.290 22.434 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -19.996 -19.651 22.389 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -19.032 -18.628 23.436 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.597 -17.789 21.183 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.541 -16.786 22.159 1.00 0.00 H new ATOM 1312 N GLN A 82 -17.625 -19.508 18.117 1.00 0.00 N ATOM 1313 CA GLN A 82 -17.930 -20.302 16.939 1.00 0.00 C ATOM 1314 C GLN A 82 -17.490 -19.564 15.673 1.00 0.00 C ATOM 1315 O GLN A 82 -18.210 -19.551 14.676 1.00 0.00 O ATOM 1316 CB GLN A 82 -19.419 -20.648 16.882 1.00 0.00 C ATOM 1317 CG GLN A 82 -19.648 -22.134 17.168 1.00 0.00 C ATOM 1318 CD GLN A 82 -20.775 -22.693 16.298 1.00 0.00 C ATOM 1319 OE1 GLN A 82 -20.812 -22.511 15.092 1.00 0.00 O ATOM 1320 NE2 GLN A 82 -21.690 -23.381 16.974 1.00 0.00 N ATOM 0 H GLN A 82 -16.960 -18.750 17.960 1.00 0.00 H new ATOM 0 HA GLN A 82 -17.375 -21.238 17.002 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -19.964 -20.046 17.609 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -19.817 -20.398 15.899 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -18.729 -22.690 16.980 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -19.894 -22.272 18.221 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -21.599 -23.496 17.983 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -22.483 -23.794 16.483 1.00 0.00 H new ATOM 1329 N SER A 83 -16.309 -18.968 15.754 1.00 0.00 N ATOM 1330 CA SER A 83 -15.764 -18.229 14.628 1.00 0.00 C ATOM 1331 C SER A 83 -15.167 -19.199 13.607 1.00 0.00 C ATOM 1332 O SER A 83 -15.249 -18.966 12.402 1.00 0.00 O ATOM 1333 CB SER A 83 -14.707 -17.224 15.088 1.00 0.00 C ATOM 1334 OG SER A 83 -13.399 -17.791 15.095 1.00 0.00 O ATOM 0 H SER A 83 -15.714 -18.982 16.583 1.00 0.00 H new ATOM 0 HA SER A 83 -16.575 -17.671 14.159 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.722 -16.355 14.430 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.954 -16.870 16.089 1.00 0.00 H new ATOM 0 HG SER A 83 -12.859 -17.360 15.791 1.00 0.00 H new ATOM 1340 N GLU A 84 -14.579 -20.267 14.126 1.00 0.00 N ATOM 1341 CA GLU A 84 -13.967 -21.273 13.274 1.00 0.00 C ATOM 1342 C GLU A 84 -15.046 -22.092 12.562 1.00 0.00 C ATOM 1343 O GLU A 84 -14.874 -22.481 11.408 1.00 0.00 O ATOM 1344 CB GLU A 84 -13.033 -22.179 14.079 1.00 0.00 C ATOM 1345 CG GLU A 84 -11.640 -22.229 13.448 1.00 0.00 C ATOM 1346 CD GLU A 84 -10.639 -22.912 14.383 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -10.436 -22.368 15.490 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -10.100 -23.961 13.969 1.00 0.00 O ATOM 0 H GLU A 84 -14.513 -20.458 15.126 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.366 -20.766 12.520 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.959 -21.813 15.103 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.450 -23.185 14.129 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.685 -22.767 12.501 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.302 -21.217 13.224 1.00 0.00 H new ATOM 1355 N ASP A 85 -16.134 -22.330 13.280 1.00 0.00 N ATOM 1356 CA ASP A 85 -17.240 -23.095 12.731 1.00 0.00 C ATOM 1357 C ASP A 85 -17.883 -22.307 11.588 1.00 0.00 C ATOM 1358 O ASP A 85 -17.978 -22.801 10.465 1.00 0.00 O ATOM 1359 CB ASP A 85 -18.314 -23.350 13.791 1.00 0.00 C ATOM 1360 CG ASP A 85 -19.071 -24.670 13.640 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -18.434 -25.640 13.176 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -20.271 -24.680 13.992 1.00 0.00 O ATOM 0 H ASP A 85 -16.273 -22.006 14.237 1.00 0.00 H new ATOM 0 HA ASP A 85 -16.847 -24.049 12.378 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -17.845 -23.328 14.775 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.033 -22.531 13.763 1.00 0.00 H new ATOM 1367 N MET A 86 -18.306 -21.094 11.912 1.00 0.00 N ATOM 1368 CA MET A 86 -18.937 -20.233 10.926 1.00 0.00 C ATOM 1369 C MET A 86 -18.012 -19.999 9.731 1.00 0.00 C ATOM 1370 O MET A 86 -18.475 -19.861 8.600 1.00 0.00 O ATOM 1371 CB MET A 86 -19.288 -18.891 11.571 1.00 0.00 C ATOM 1372 CG MET A 86 -18.024 -18.092 11.898 1.00 0.00 C ATOM 1373 SD MET A 86 -18.466 -16.500 12.572 1.00 0.00 S ATOM 1374 CE MET A 86 -16.846 -15.761 12.709 1.00 0.00 C ATOM 0 H MET A 86 -18.224 -20.687 12.844 1.00 0.00 H new ATOM 0 HA MET A 86 -19.843 -20.723 10.569 1.00 0.00 H new ATOM 0 HB2 MET A 86 -19.923 -18.315 10.898 1.00 0.00 H new ATOM 0 HB3 MET A 86 -19.861 -19.060 12.482 1.00 0.00 H new ATOM 0 HG2 MET A 86 -17.411 -18.641 12.613 1.00 0.00 H new ATOM 0 HG3 MET A 86 -17.424 -17.961 10.998 1.00 0.00 H new ATOM 0 HE1 MET A 86 -16.655 -15.493 13.748 1.00 0.00 H new ATOM 0 HE2 MET A 86 -16.092 -16.473 12.373 1.00 0.00 H new ATOM 0 HE3 MET A 86 -16.801 -14.865 12.089 1.00 0.00 H new ATOM 1384 N PHE A 87 -16.720 -19.962 10.022 1.00 0.00 N ATOM 1385 CA PHE A 87 -15.725 -19.747 8.985 1.00 0.00 C ATOM 1386 C PHE A 87 -15.648 -20.948 8.041 1.00 0.00 C ATOM 1387 O PHE A 87 -15.620 -20.784 6.822 1.00 0.00 O ATOM 1388 CB PHE A 87 -14.376 -19.578 9.687 1.00 0.00 C ATOM 1389 CG PHE A 87 -13.938 -18.121 9.851 1.00 0.00 C ATOM 1390 CD1 PHE A 87 -14.862 -17.124 9.808 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -12.624 -17.823 10.039 1.00 0.00 C ATOM 1392 CE1 PHE A 87 -14.456 -15.772 9.961 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -12.218 -16.471 10.191 1.00 0.00 C ATOM 1394 CZ PHE A 87 -13.142 -15.474 10.149 1.00 0.00 C ATOM 0 H PHE A 87 -16.339 -20.077 10.961 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.988 -18.870 8.393 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.429 -20.044 10.671 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -13.614 -20.114 9.121 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -15.905 -17.361 9.657 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.890 -18.615 10.073 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.190 -14.981 9.928 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -11.175 -16.234 10.340 1.00 0.00 H new ATOM 0 HZ PHE A 87 -12.833 -14.446 10.265 1.00 0.00 H new