USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 666 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 93 SER OG : rot -110:sc= -1.49 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.687 X(o=-0.69,f=-0.55) USER MOD Single : A 32 GLN :FLIP amide:sc= -2.18 F(o=-5!,f=-2.2) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.78! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.85 K(o=-1.9,f=-4.5!) USER MOD Single : A 50 GLN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 54 TYR OH : rot 180:sc= 0.644 USER MOD Single : A 57 SER OG : rot 53:sc= 0.801 USER MOD Single : A 58 THR OG1 : rot 41:sc= 0.239 USER MOD Single : A 59 CYS SG : rot 31:sc= 0.148 USER MOD Single : A 67 HIS : no HD1:sc= -0.0764 X(o=-0.076,f=-0.074) USER MOD Single : A 69 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.2!) USER MOD Single : A 76 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-2.8!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 103:sc= 0.0913 USER MOD Single : A 85 ASN : amide:sc= -6.91! C(o=-6.9!,f=-26!) USER MOD Single : A 89 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot -95:sc= 1.19 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00119 USER MOD Single : A 99 HIS : no HE2:sc= -1.62! C(o=-1.6!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 83 N GLU A 9 19.142 -1.331 1.386 1.00 0.00 N ATOM 84 CA GLU A 9 17.773 -1.460 0.901 1.00 0.00 C ATOM 85 C GLU A 9 16.866 -2.043 1.981 1.00 0.00 C ATOM 86 O GLU A 9 17.328 -2.425 3.056 1.00 0.00 O ATOM 87 CB GLU A 9 17.731 -2.344 -0.347 1.00 0.00 C ATOM 88 CG GLU A 9 18.445 -1.739 -1.545 1.00 0.00 C ATOM 89 CD GLU A 9 19.914 -2.112 -1.597 1.00 0.00 C ATOM 90 OE1 GLU A 9 20.216 -3.295 -1.858 1.00 0.00 O ATOM 91 OE2 GLU A 9 20.761 -1.221 -1.378 1.00 0.00 O ATOM 0 HA GLU A 9 17.411 -0.465 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.182 -3.308 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.691 -2.535 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.957 -2.072 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.350 -0.654 -1.510 1.00 0.00 H new ATOM 98 N VAL A 10 15.571 -2.108 1.687 1.00 0.00 N ATOM 99 CA VAL A 10 14.598 -2.645 2.631 1.00 0.00 C ATOM 100 C VAL A 10 13.510 -3.433 1.911 1.00 0.00 C ATOM 101 O VAL A 10 13.180 -3.146 0.760 1.00 0.00 O ATOM 102 CB VAL A 10 13.942 -1.524 3.459 1.00 0.00 C ATOM 103 CG1 VAL A 10 12.604 -1.986 4.016 1.00 0.00 C ATOM 104 CG2 VAL A 10 14.870 -1.077 4.579 1.00 0.00 C ATOM 0 H VAL A 10 15.171 -1.795 0.802 1.00 0.00 H new ATOM 0 HA VAL A 10 15.142 -3.311 3.301 1.00 0.00 H new ATOM 0 HB VAL A 10 13.761 -0.670 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.155 -1.181 4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.940 -2.253 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.757 -2.855 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.391 -0.285 5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 10 15.084 -1.922 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.801 -0.704 4.153 1.00 0.00 H new ATOM 114 N ALA A 11 12.956 -4.428 2.596 1.00 0.00 N ATOM 115 CA ALA A 11 11.903 -5.257 2.022 1.00 0.00 C ATOM 116 C ALA A 11 10.526 -4.660 2.293 1.00 0.00 C ATOM 117 O ALA A 11 10.357 -3.792 3.150 1.00 0.00 O ATOM 118 CB ALA A 11 11.985 -6.672 2.575 1.00 0.00 C ATOM 0 H ALA A 11 13.219 -4.680 3.549 1.00 0.00 H new ATOM 0 HA ALA A 11 12.049 -5.292 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.193 -7.280 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.954 -7.105 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.867 -6.647 3.658 1.00 0.00 H new ATOM 124 N PRO A 12 9.518 -5.133 1.545 1.00 0.00 N ATOM 125 CA PRO A 12 8.138 -4.659 1.687 1.00 0.00 C ATOM 126 C PRO A 12 7.503 -5.105 3.000 1.00 0.00 C ATOM 127 O PRO A 12 7.861 -6.146 3.551 1.00 0.00 O ATOM 128 CB PRO A 12 7.418 -5.304 0.500 1.00 0.00 C ATOM 129 CG PRO A 12 8.221 -6.519 0.184 1.00 0.00 C ATOM 130 CD PRO A 12 9.647 -6.167 0.505 1.00 0.00 C ATOM 0 HA PRO A 12 8.081 -3.571 1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.390 -5.564 0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.374 -4.626 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.887 -7.372 0.775 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.114 -6.796 -0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.203 -7.032 0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.175 -5.792 -0.371 1.00 0.00 H new ATOM 138 N SER A 13 6.560 -4.311 3.495 1.00 0.00 N ATOM 139 CA SER A 13 5.878 -4.622 4.746 1.00 0.00 C ATOM 140 C SER A 13 4.603 -3.796 4.891 1.00 0.00 C ATOM 141 O SER A 13 4.426 -2.784 4.212 1.00 0.00 O ATOM 142 CB SER A 13 6.805 -4.363 5.935 1.00 0.00 C ATOM 143 OG SER A 13 6.475 -5.199 7.031 1.00 0.00 O ATOM 0 H SER A 13 6.250 -3.447 3.049 1.00 0.00 H new ATOM 0 HA SER A 13 5.606 -5.677 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.839 -4.538 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.732 -3.318 6.236 1.00 0.00 H new ATOM 0 HG SER A 13 7.083 -5.015 7.777 1.00 0.00 H new ATOM 149 N PHE A 14 3.719 -4.235 5.780 1.00 0.00 N ATOM 150 CA PHE A 14 2.460 -3.538 6.014 1.00 0.00 C ATOM 151 C PHE A 14 2.352 -3.082 7.466 1.00 0.00 C ATOM 152 O PHE A 14 1.857 -3.814 8.323 1.00 0.00 O ATOM 153 CB PHE A 14 1.278 -4.443 5.663 1.00 0.00 C ATOM 154 CG PHE A 14 1.028 -4.557 4.186 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.718 -3.436 3.434 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.103 -5.786 3.550 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.487 -3.538 2.075 1.00 0.00 C ATOM 158 CE2 PHE A 14 0.873 -5.894 2.191 1.00 0.00 C ATOM 159 CZ PHE A 14 0.566 -4.769 1.453 1.00 0.00 C ATOM 0 H PHE A 14 3.851 -5.070 6.350 1.00 0.00 H new ATOM 0 HA PHE A 14 2.437 -2.657 5.372 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.459 -5.438 6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.380 -4.059 6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.656 -2.471 3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.344 -6.670 4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.245 -2.656 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.934 -6.858 1.707 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.388 -4.851 0.391 1.00 0.00 H new ATOM 169 N SER A 15 2.820 -1.867 7.735 1.00 0.00 N ATOM 170 CA SER A 15 2.781 -1.315 9.084 1.00 0.00 C ATOM 171 C SER A 15 1.370 -1.389 9.661 1.00 0.00 C ATOM 172 O SER A 15 1.186 -1.412 10.878 1.00 0.00 O ATOM 173 CB SER A 15 3.266 0.136 9.078 1.00 0.00 C ATOM 174 OG SER A 15 3.332 0.658 10.394 1.00 0.00 O ATOM 0 H SER A 15 3.230 -1.247 7.037 1.00 0.00 H new ATOM 0 HA SER A 15 3.444 -1.910 9.713 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.250 0.192 8.612 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.592 0.745 8.475 1.00 0.00 H new ATOM 0 HG SER A 15 3.646 1.586 10.363 1.00 0.00 H new ATOM 180 N SER A 16 0.378 -1.426 8.778 1.00 0.00 N ATOM 181 CA SER A 16 -1.017 -1.493 9.198 1.00 0.00 C ATOM 182 C SER A 16 -1.879 -2.139 8.117 1.00 0.00 C ATOM 183 O SER A 16 -2.150 -1.534 7.079 1.00 0.00 O ATOM 184 CB SER A 16 -1.544 -0.093 9.517 1.00 0.00 C ATOM 185 OG SER A 16 -2.550 -0.142 10.514 1.00 0.00 O ATOM 0 H SER A 16 0.514 -1.411 7.767 1.00 0.00 H new ATOM 0 HA SER A 16 -1.071 -2.107 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.723 0.540 9.855 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.946 0.363 8.612 1.00 0.00 H new ATOM 0 HG SER A 16 -2.869 0.765 10.701 1.00 0.00 H new ATOM 191 N VAL A 17 -2.307 -3.372 8.368 1.00 0.00 N ATOM 192 CA VAL A 17 -3.140 -4.100 7.419 1.00 0.00 C ATOM 193 C VAL A 17 -4.580 -3.603 7.455 1.00 0.00 C ATOM 194 O VAL A 17 -5.002 -2.960 8.418 1.00 0.00 O ATOM 195 CB VAL A 17 -3.124 -5.614 7.704 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.722 -6.177 7.524 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.645 -5.897 9.105 1.00 0.00 C ATOM 0 H VAL A 17 -2.090 -3.888 9.221 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.722 -3.919 6.429 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.782 -6.108 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.731 -7.247 7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.390 -6.007 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.039 -5.681 8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.627 -6.971 9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.014 -5.392 9.837 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.668 -5.531 9.194 1.00 0.00 H new ATOM 207 N LEU A 18 -5.331 -3.904 6.402 1.00 0.00 N ATOM 208 CA LEU A 18 -6.727 -3.487 6.313 1.00 0.00 C ATOM 209 C LEU A 18 -7.598 -4.298 7.266 1.00 0.00 C ATOM 210 O LEU A 18 -7.280 -5.440 7.597 1.00 0.00 O ATOM 211 CB LEU A 18 -7.236 -3.645 4.879 1.00 0.00 C ATOM 212 CG LEU A 18 -6.390 -2.984 3.790 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.523 -3.741 2.478 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.795 -1.528 3.611 1.00 0.00 C ATOM 0 H LEU A 18 -4.998 -4.435 5.598 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.787 -2.437 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.311 -4.709 4.657 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.245 -3.236 4.826 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.345 -3.015 4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.914 -3.256 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.184 -4.768 2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.566 -3.742 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.183 -1.073 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.845 -1.475 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.647 -0.991 4.548 1.00 0.00 H new ATOM 226 N LYS A 19 -8.702 -3.700 7.704 1.00 0.00 N ATOM 227 CA LYS A 19 -9.623 -4.366 8.616 1.00 0.00 C ATOM 228 C LYS A 19 -11.057 -4.272 8.106 1.00 0.00 C ATOM 229 O LYS A 19 -11.428 -3.304 7.443 1.00 0.00 O ATOM 230 CB LYS A 19 -9.526 -3.748 10.013 1.00 0.00 C ATOM 231 CG LYS A 19 -9.819 -2.258 10.041 1.00 0.00 C ATOM 232 CD LYS A 19 -8.561 -1.438 9.815 1.00 0.00 C ATOM 233 CE LYS A 19 -7.643 -1.479 11.027 1.00 0.00 C ATOM 234 NZ LYS A 19 -6.566 -0.455 10.942 1.00 0.00 N ATOM 0 H LYS A 19 -8.980 -2.754 7.441 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.344 -5.418 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.223 -4.259 10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.525 -3.920 10.409 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.554 -2.016 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.261 -1.991 11.001 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.030 -1.818 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.833 -0.405 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.229 -1.316 11.932 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.196 -2.470 11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.962 -0.515 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.991 -0.626 10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.991 0.492 10.888 1.00 0.00 H new ATOM 248 N ASP A 20 -11.860 -5.283 8.422 1.00 0.00 N ATOM 249 CA ASP A 20 -13.255 -5.313 7.997 1.00 0.00 C ATOM 250 C ASP A 20 -13.907 -3.946 8.178 1.00 0.00 C ATOM 251 O ASP A 20 -13.615 -3.230 9.136 1.00 0.00 O ATOM 252 CB ASP A 20 -14.028 -6.370 8.788 1.00 0.00 C ATOM 253 CG ASP A 20 -13.658 -6.379 10.258 1.00 0.00 C ATOM 254 OD1 ASP A 20 -13.528 -5.283 10.844 1.00 0.00 O ATOM 255 OD2 ASP A 20 -13.499 -7.481 10.822 1.00 0.00 O ATOM 0 H ASP A 20 -11.569 -6.092 8.971 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.282 -5.571 6.938 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.097 -6.185 8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.833 -7.354 8.361 1.00 0.00 H new ATOM 260 N CYS A 21 -14.790 -3.591 7.252 1.00 0.00 N ATOM 261 CA CYS A 21 -15.483 -2.308 7.308 1.00 0.00 C ATOM 262 C CYS A 21 -16.861 -2.406 6.660 1.00 0.00 C ATOM 263 O CYS A 21 -17.121 -3.307 5.864 1.00 0.00 O ATOM 264 CB CYS A 21 -14.655 -1.227 6.612 1.00 0.00 C ATOM 265 SG CYS A 21 -14.928 0.440 7.256 1.00 0.00 S ATOM 0 H CYS A 21 -15.043 -4.173 6.453 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.612 -2.038 8.356 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.598 -1.474 6.710 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -14.887 -1.236 5.547 1.00 0.00 H new ATOM 0 HG CYS A 21 -14.182 1.284 6.606 1.00 0.00 H new ATOM 271 N ALA A 22 -17.740 -1.473 7.009 1.00 0.00 N ATOM 272 CA ALA A 22 -19.091 -1.453 6.462 1.00 0.00 C ATOM 273 C ALA A 22 -19.415 -0.095 5.849 1.00 0.00 C ATOM 274 O ALA A 22 -18.980 0.943 6.348 1.00 0.00 O ATOM 275 CB ALA A 22 -20.103 -1.802 7.543 1.00 0.00 C ATOM 0 H ALA A 22 -17.541 -0.721 7.668 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.148 -2.201 5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -21.108 -1.783 7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.891 -2.798 7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -20.036 -1.075 8.352 1.00 0.00 H new ATOM 281 N VAL A 23 -20.183 -0.109 4.764 1.00 0.00 N ATOM 282 CA VAL A 23 -20.566 1.122 4.082 1.00 0.00 C ATOM 283 C VAL A 23 -21.988 1.030 3.540 1.00 0.00 C ATOM 284 O VAL A 23 -22.447 -0.045 3.152 1.00 0.00 O ATOM 285 CB VAL A 23 -19.606 1.443 2.922 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.901 0.555 1.723 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.702 2.913 2.543 1.00 0.00 C ATOM 0 H VAL A 23 -20.552 -0.959 4.338 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.512 1.923 4.820 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.587 1.242 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -19.213 0.796 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.777 -0.490 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.925 0.722 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -19.017 3.122 1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.721 3.143 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.437 3.528 3.403 1.00 0.00 H new ATOM 297 N ILE A 24 -22.680 2.164 3.517 1.00 0.00 N ATOM 298 CA ILE A 24 -24.050 2.212 3.021 1.00 0.00 C ATOM 299 C ILE A 24 -24.081 2.333 1.501 1.00 0.00 C ATOM 300 O ILE A 24 -23.283 3.062 0.911 1.00 0.00 O ATOM 301 CB ILE A 24 -24.830 3.389 3.634 1.00 0.00 C ATOM 302 CG1 ILE A 24 -24.939 3.222 5.151 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.213 3.493 3.007 1.00 0.00 C ATOM 304 CD1 ILE A 24 -25.998 2.228 5.576 1.00 0.00 C ATOM 0 H ILE A 24 -22.315 3.061 3.836 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.526 1.277 3.318 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.288 4.312 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -23.974 2.902 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -25.160 4.190 5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.752 4.330 3.451 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -26.115 3.653 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.764 2.570 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -26.019 2.161 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -26.972 2.557 5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -25.767 1.249 5.157 1.00 0.00 H new ATOM 316 N GLU A 25 -25.007 1.616 0.873 1.00 0.00 N ATOM 317 CA GLU A 25 -25.142 1.645 -0.578 1.00 0.00 C ATOM 318 C GLU A 25 -25.307 3.076 -1.081 1.00 0.00 C ATOM 319 O GLU A 25 -26.383 3.664 -0.972 1.00 0.00 O ATOM 320 CB GLU A 25 -26.337 0.797 -1.019 1.00 0.00 C ATOM 321 CG GLU A 25 -26.637 0.894 -2.505 1.00 0.00 C ATOM 322 CD GLU A 25 -27.844 0.071 -2.912 1.00 0.00 C ATOM 323 OE1 GLU A 25 -28.819 0.025 -2.133 1.00 0.00 O ATOM 324 OE2 GLU A 25 -27.813 -0.527 -4.007 1.00 0.00 O ATOM 0 H GLU A 25 -25.675 1.008 1.347 1.00 0.00 H new ATOM 0 HA GLU A 25 -24.232 1.229 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -26.146 -0.245 -0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -27.219 1.107 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -26.807 1.937 -2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -25.767 0.560 -3.070 1.00 0.00 H new ATOM 331 N GLY A 26 -24.232 3.632 -1.631 1.00 0.00 N ATOM 332 CA GLY A 26 -24.278 4.990 -2.141 1.00 0.00 C ATOM 333 C GLY A 26 -23.295 5.906 -1.440 1.00 0.00 C ATOM 334 O GLY A 26 -23.121 7.059 -1.835 1.00 0.00 O ATOM 0 H GLY A 26 -23.330 3.166 -1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -24.063 4.981 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -25.287 5.386 -2.022 1.00 0.00 H new ATOM 338 N GLN A 27 -22.652 5.394 -0.396 1.00 0.00 N ATOM 339 CA GLN A 27 -21.684 6.176 0.364 1.00 0.00 C ATOM 340 C GLN A 27 -20.282 6.020 -0.217 1.00 0.00 C ATOM 341 O GLN A 27 -20.049 5.174 -1.080 1.00 0.00 O ATOM 342 CB GLN A 27 -21.691 5.749 1.832 1.00 0.00 C ATOM 343 CG GLN A 27 -22.740 6.463 2.669 1.00 0.00 C ATOM 344 CD GLN A 27 -22.711 7.967 2.483 1.00 0.00 C ATOM 345 OE1 GLN A 27 -21.851 8.655 3.033 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.653 8.486 1.705 1.00 0.00 N ATOM 0 H GLN A 27 -22.784 4.441 -0.057 1.00 0.00 H new ATOM 0 HA GLN A 27 -21.970 7.226 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.863 4.674 1.888 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.707 5.937 2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.728 6.087 2.404 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.581 6.228 3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -24.346 7.878 1.269 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.683 9.493 1.543 1.00 0.00 H new ATOM 355 N ASP A 28 -19.354 6.841 0.261 1.00 0.00 N ATOM 356 CA ASP A 28 -17.975 6.793 -0.210 1.00 0.00 C ATOM 357 C ASP A 28 -17.054 6.219 0.861 1.00 0.00 C ATOM 358 O ASP A 28 -17.161 6.565 2.038 1.00 0.00 O ATOM 359 CB ASP A 28 -17.502 8.192 -0.611 1.00 0.00 C ATOM 360 CG ASP A 28 -17.583 9.181 0.535 1.00 0.00 C ATOM 361 OD1 ASP A 28 -16.609 9.269 1.312 1.00 0.00 O ATOM 362 OD2 ASP A 28 -18.620 9.866 0.656 1.00 0.00 O ATOM 0 H ASP A 28 -19.532 7.548 0.975 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.938 6.141 -1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.473 8.136 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.108 8.553 -1.442 1.00 0.00 H new ATOM 367 N PHE A 29 -16.149 5.339 0.447 1.00 0.00 N ATOM 368 CA PHE A 29 -15.210 4.714 1.372 1.00 0.00 C ATOM 369 C PHE A 29 -13.844 4.529 0.717 1.00 0.00 C ATOM 370 O PHE A 29 -13.743 4.041 -0.408 1.00 0.00 O ATOM 371 CB PHE A 29 -15.749 3.362 1.844 1.00 0.00 C ATOM 372 CG PHE A 29 -15.421 2.229 0.915 1.00 0.00 C ATOM 373 CD1 PHE A 29 -14.120 1.767 0.796 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.414 1.624 0.161 1.00 0.00 C ATOM 375 CE1 PHE A 29 -13.816 0.724 -0.059 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.116 0.581 -0.695 1.00 0.00 C ATOM 377 CZ PHE A 29 -14.815 0.130 -0.805 1.00 0.00 C ATOM 0 H PHE A 29 -16.046 5.042 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.095 5.372 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -15.342 3.142 2.831 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.831 3.430 1.954 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.335 2.227 1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.433 1.972 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.798 0.374 -0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.899 0.119 -1.277 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.580 -0.685 -1.473 1.00 0.00 H new ATOM 387 N VAL A 30 -12.794 4.924 1.431 1.00 0.00 N ATOM 388 CA VAL A 30 -11.434 4.801 0.922 1.00 0.00 C ATOM 389 C VAL A 30 -10.570 3.962 1.856 1.00 0.00 C ATOM 390 O VAL A 30 -10.152 4.426 2.918 1.00 0.00 O ATOM 391 CB VAL A 30 -10.778 6.183 0.737 1.00 0.00 C ATOM 392 CG1 VAL A 30 -10.971 7.037 1.980 1.00 0.00 C ATOM 393 CG2 VAL A 30 -9.300 6.030 0.408 1.00 0.00 C ATOM 0 H VAL A 30 -12.860 5.332 2.364 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.502 4.306 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.263 6.688 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.501 8.009 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.036 7.174 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.514 6.541 2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.852 7.015 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.799 5.506 1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.190 5.459 -0.514 1.00 0.00 H new ATOM 403 N LEU A 31 -10.305 2.724 1.455 1.00 0.00 N ATOM 404 CA LEU A 31 -9.490 1.818 2.257 1.00 0.00 C ATOM 405 C LEU A 31 -8.059 2.333 2.376 1.00 0.00 C ATOM 406 O LEU A 31 -7.276 2.241 1.431 1.00 0.00 O ATOM 407 CB LEU A 31 -9.490 0.418 1.639 1.00 0.00 C ATOM 408 CG LEU A 31 -10.795 -0.370 1.762 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.888 -1.422 0.667 1.00 0.00 C ATOM 410 CD2 LEU A 31 -10.901 -1.015 3.135 1.00 0.00 C ATOM 0 H LEU A 31 -10.642 2.324 0.579 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.923 1.768 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.242 0.509 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.693 -0.163 2.104 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.628 0.323 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.823 -1.973 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.859 -0.936 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.049 -2.112 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.836 -1.571 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.062 -1.695 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.881 -0.242 3.903 1.00 0.00 H new ATOM 422 N GLN A 32 -7.726 2.875 3.543 1.00 0.00 N ATOM 423 CA GLN A 32 -6.389 3.404 3.785 1.00 0.00 C ATOM 424 C GLN A 32 -5.572 2.445 4.646 1.00 0.00 C ATOM 425 O GLN A 32 -6.082 1.874 5.610 1.00 0.00 O ATOM 426 CB GLN A 32 -6.474 4.771 4.464 1.00 0.00 C ATOM 427 CG GLN A 32 -5.117 5.369 4.801 1.00 0.00 C ATOM 428 CD GLN A 32 -4.593 4.906 6.146 1.00 0.00 C ATOM 429 OE1 GLN A 32 -3.308 4.579 6.200 1.00 0.00 O flip ATOM 430 NE2 GLN A 32 -5.336 4.843 7.126 1.00 0.00 N flip ATOM 0 H GLN A 32 -8.363 2.959 4.335 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.890 3.515 2.823 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.013 5.458 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.058 4.677 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.402 5.098 4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.193 6.456 4.800 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.318 5.104 7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.969 4.530 8.025 1.00 0.00 H new ATOM 439 N CYS A 33 -4.304 2.274 4.291 1.00 0.00 N ATOM 440 CA CYS A 33 -3.416 1.384 5.031 1.00 0.00 C ATOM 441 C CYS A 33 -1.988 1.917 5.031 1.00 0.00 C ATOM 442 O CYS A 33 -1.713 2.985 4.483 1.00 0.00 O ATOM 443 CB CYS A 33 -3.449 -0.021 4.426 1.00 0.00 C ATOM 444 SG CYS A 33 -2.813 -0.111 2.736 1.00 0.00 S ATOM 0 H CYS A 33 -3.867 2.740 3.495 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.766 1.337 6.062 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.867 -0.691 5.058 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.476 -0.386 4.436 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.880 -1.338 2.312 1.00 0.00 H new ATOM 450 N SER A 34 -1.082 1.168 5.652 1.00 0.00 N ATOM 451 CA SER A 34 0.318 1.569 5.729 1.00 0.00 C ATOM 452 C SER A 34 1.216 0.539 5.049 1.00 0.00 C ATOM 453 O SER A 34 1.143 -0.655 5.340 1.00 0.00 O ATOM 454 CB SER A 34 0.741 1.745 7.189 1.00 0.00 C ATOM 455 OG SER A 34 -0.079 2.696 7.845 1.00 0.00 O ATOM 0 H SER A 34 -1.292 0.281 6.109 1.00 0.00 H new ATOM 0 HA SER A 34 0.427 2.521 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.679 0.788 7.707 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.782 2.065 7.234 1.00 0.00 H new ATOM 0 HG SER A 34 0.210 2.790 8.777 1.00 0.00 H new ATOM 461 N VAL A 35 2.064 1.011 4.140 1.00 0.00 N ATOM 462 CA VAL A 35 2.977 0.133 3.418 1.00 0.00 C ATOM 463 C VAL A 35 4.287 0.845 3.100 1.00 0.00 C ATOM 464 O VAL A 35 4.298 1.872 2.421 1.00 0.00 O ATOM 465 CB VAL A 35 2.349 -0.373 2.106 1.00 0.00 C ATOM 466 CG1 VAL A 35 1.860 0.795 1.262 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.347 -1.221 1.331 1.00 0.00 C ATOM 0 H VAL A 35 2.137 1.996 3.886 1.00 0.00 H new ATOM 0 HA VAL A 35 3.178 -0.719 4.068 1.00 0.00 H new ATOM 0 HB VAL A 35 1.490 -0.997 2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.419 0.418 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.110 1.357 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.700 1.448 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.887 -1.570 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.227 -0.623 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.643 -2.078 1.936 1.00 0.00 H new ATOM 477 N ARG A 36 5.390 0.293 3.596 1.00 0.00 N ATOM 478 CA ARG A 36 6.706 0.876 3.365 1.00 0.00 C ATOM 479 C ARG A 36 7.650 -0.146 2.737 1.00 0.00 C ATOM 480 O ARG A 36 7.375 -1.345 2.740 1.00 0.00 O ATOM 481 CB ARG A 36 7.296 1.391 4.679 1.00 0.00 C ATOM 482 CG ARG A 36 6.365 2.319 5.442 1.00 0.00 C ATOM 483 CD ARG A 36 6.991 2.787 6.746 1.00 0.00 C ATOM 484 NE ARG A 36 8.046 3.772 6.524 1.00 0.00 N ATOM 485 CZ ARG A 36 8.836 4.233 7.488 1.00 0.00 C ATOM 486 NH1 ARG A 36 8.691 3.800 8.733 1.00 0.00 N ATOM 487 NH2 ARG A 36 9.774 5.129 7.207 1.00 0.00 N ATOM 0 H ARG A 36 5.398 -0.557 4.160 1.00 0.00 H new ATOM 0 HA ARG A 36 6.590 1.711 2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.547 0.540 5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.227 1.917 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.123 3.183 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.427 1.804 5.651 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.220 3.219 7.384 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.402 1.930 7.279 1.00 0.00 H new ATOM 0 HE ARG A 36 8.184 4.125 5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.972 3.111 8.953 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.299 4.156 9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.889 5.464 6.251 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.380 5.482 7.948 1.00 0.00 H new ATOM 501 N GLY A 37 8.765 0.339 2.199 1.00 0.00 N ATOM 502 CA GLY A 37 9.732 -0.544 1.575 1.00 0.00 C ATOM 503 C GLY A 37 10.613 0.176 0.573 1.00 0.00 C ATOM 504 O GLY A 37 10.150 1.055 -0.155 1.00 0.00 O ATOM 0 H GLY A 37 9.015 1.328 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.357 -0.995 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.207 -1.357 1.074 1.00 0.00 H new ATOM 508 N THR A 38 11.889 -0.195 0.535 1.00 0.00 N ATOM 509 CA THR A 38 12.838 0.423 -0.382 1.00 0.00 C ATOM 510 C THR A 38 13.461 -0.614 -1.310 1.00 0.00 C ATOM 511 O THR A 38 14.057 -1.597 -0.871 1.00 0.00 O ATOM 512 CB THR A 38 13.960 1.154 0.378 1.00 0.00 C ATOM 513 OG1 THR A 38 13.465 2.384 0.919 1.00 0.00 O ATOM 514 CG2 THR A 38 15.141 1.436 -0.538 1.00 0.00 C ATOM 0 H THR A 38 12.289 -0.921 1.129 1.00 0.00 H new ATOM 0 HA THR A 38 12.279 1.147 -0.974 1.00 0.00 H new ATOM 0 HB THR A 38 14.297 0.510 1.190 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.184 2.842 1.402 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.920 1.953 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.535 0.496 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.816 2.062 -1.369 1.00 0.00 H new ATOM 522 N PRO A 39 13.322 -0.391 -2.626 1.00 0.00 N ATOM 523 CA PRO A 39 12.614 0.776 -3.161 1.00 0.00 C ATOM 524 C PRO A 39 11.111 0.705 -2.914 1.00 0.00 C ATOM 525 O PRO A 39 10.628 -0.184 -2.212 1.00 0.00 O ATOM 526 CB PRO A 39 12.913 0.715 -4.661 1.00 0.00 C ATOM 527 CG PRO A 39 13.190 -0.723 -4.934 1.00 0.00 C ATOM 528 CD PRO A 39 13.845 -1.262 -3.692 1.00 0.00 C ATOM 0 HA PRO A 39 12.937 1.702 -2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.068 1.074 -5.248 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.768 1.339 -4.920 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.269 -1.263 -5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.842 -0.837 -5.800 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.585 -2.307 -3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.932 -1.211 -3.756 1.00 0.00 H new ATOM 536 N VAL A 40 10.375 1.647 -3.497 1.00 0.00 N ATOM 537 CA VAL A 40 8.926 1.690 -3.341 1.00 0.00 C ATOM 538 C VAL A 40 8.266 0.487 -4.007 1.00 0.00 C ATOM 539 O VAL A 40 8.420 0.247 -5.204 1.00 0.00 O ATOM 540 CB VAL A 40 8.336 2.981 -3.938 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.817 2.963 -3.855 1.00 0.00 C ATOM 542 CG2 VAL A 40 8.902 4.202 -3.230 1.00 0.00 C ATOM 0 H VAL A 40 10.759 2.390 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 40 8.721 1.667 -2.271 1.00 0.00 H new ATOM 0 HB VAL A 40 8.618 3.036 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.418 3.883 -4.282 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.432 2.109 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.511 2.884 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.474 5.105 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.653 4.156 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.986 4.221 -3.347 1.00 0.00 H new ATOM 552 N PRO A 41 7.512 -0.288 -3.213 1.00 0.00 N ATOM 553 CA PRO A 41 6.812 -1.479 -3.704 1.00 0.00 C ATOM 554 C PRO A 41 5.652 -1.129 -4.629 1.00 0.00 C ATOM 555 O PRO A 41 5.125 -0.017 -4.586 1.00 0.00 O ATOM 556 CB PRO A 41 6.294 -2.139 -2.423 1.00 0.00 C ATOM 557 CG PRO A 41 6.178 -1.023 -1.443 1.00 0.00 C ATOM 558 CD PRO A 41 7.285 -0.062 -1.776 1.00 0.00 C ATOM 0 HA PRO A 41 7.465 -2.120 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.331 -2.623 -2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.980 -2.908 -2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.205 -0.538 -1.518 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.274 -1.390 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.997 0.969 -1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.182 -0.264 -1.191 1.00 0.00 H new ATOM 566 N ARG A 42 5.258 -2.085 -5.465 1.00 0.00 N ATOM 567 CA ARG A 42 4.161 -1.877 -6.401 1.00 0.00 C ATOM 568 C ARG A 42 2.813 -2.068 -5.711 1.00 0.00 C ATOM 569 O ARG A 42 2.540 -3.126 -5.144 1.00 0.00 O ATOM 570 CB ARG A 42 4.281 -2.840 -7.583 1.00 0.00 C ATOM 571 CG ARG A 42 5.187 -2.332 -8.693 1.00 0.00 C ATOM 572 CD ARG A 42 6.649 -2.359 -8.275 1.00 0.00 C ATOM 573 NE ARG A 42 7.533 -1.902 -9.344 1.00 0.00 N ATOM 574 CZ ARG A 42 8.791 -1.526 -9.146 1.00 0.00 C ATOM 575 NH1 ARG A 42 9.311 -1.552 -7.927 1.00 0.00 N ATOM 576 NH2 ARG A 42 9.532 -1.122 -10.170 1.00 0.00 N ATOM 0 H ARG A 42 5.683 -3.011 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 42 4.220 -0.852 -6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.661 -3.796 -7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.288 -3.025 -7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.051 -2.945 -9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.902 -1.314 -8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.786 -1.728 -7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.925 -3.373 -7.986 1.00 0.00 H new ATOM 0 HE ARG A 42 7.164 -1.870 -10.294 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.744 -1.862 -7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.278 -1.262 -7.779 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.135 -1.100 -11.109 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.498 -0.833 -10.018 1.00 0.00 H new ATOM 590 N ILE A 43 1.977 -1.037 -5.762 1.00 0.00 N ATOM 591 CA ILE A 43 0.659 -1.091 -5.142 1.00 0.00 C ATOM 592 C ILE A 43 -0.402 -1.533 -6.144 1.00 0.00 C ATOM 593 O ILE A 43 -0.783 -0.775 -7.037 1.00 0.00 O ATOM 594 CB ILE A 43 0.256 0.273 -4.553 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.345 0.786 -3.608 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.076 0.165 -3.826 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.700 -0.190 -2.508 1.00 0.00 C ATOM 0 H ILE A 43 2.189 -0.154 -6.226 1.00 0.00 H new ATOM 0 HA ILE A 43 0.721 -1.821 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 43 0.144 0.986 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.241 1.010 -4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.013 1.722 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.346 1.138 -3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.846 -0.161 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.991 -0.559 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.478 0.240 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.816 -0.396 -1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.062 -1.119 -2.949 1.00 0.00 H new ATOM 609 N THR A 44 -0.879 -2.764 -5.990 1.00 0.00 N ATOM 610 CA THR A 44 -1.897 -3.307 -6.881 1.00 0.00 C ATOM 611 C THR A 44 -3.081 -3.855 -6.093 1.00 0.00 C ATOM 612 O THR A 44 -2.921 -4.726 -5.238 1.00 0.00 O ATOM 613 CB THR A 44 -1.325 -4.427 -7.771 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.228 -3.926 -8.544 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.396 -4.980 -8.699 1.00 0.00 C ATOM 0 H THR A 44 -0.576 -3.404 -5.256 1.00 0.00 H new ATOM 0 HA THR A 44 -2.234 -2.486 -7.514 1.00 0.00 H new ATOM 0 HB THR A 44 -0.975 -5.232 -7.125 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.131 -4.644 -9.106 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.969 -5.769 -9.318 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.216 -5.386 -8.107 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.771 -4.181 -9.338 1.00 0.00 H new ATOM 623 N TRP A 45 -4.270 -3.339 -6.386 1.00 0.00 N ATOM 624 CA TRP A 45 -5.482 -3.778 -5.705 1.00 0.00 C ATOM 625 C TRP A 45 -6.237 -4.804 -6.543 1.00 0.00 C ATOM 626 O TRP A 45 -6.559 -4.555 -7.705 1.00 0.00 O ATOM 627 CB TRP A 45 -6.386 -2.581 -5.407 1.00 0.00 C ATOM 628 CG TRP A 45 -5.754 -1.571 -4.498 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.828 -0.627 -4.839 1.00 0.00 C ATOM 630 CD2 TRP A 45 -6.000 -1.406 -3.097 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.484 0.115 -3.735 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.190 -0.343 -2.654 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.828 -2.051 -2.175 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.184 0.086 -1.329 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.821 -1.624 -0.861 1.00 0.00 C ATOM 636 CH2 TRP A 45 -6.004 -0.563 -0.448 1.00 0.00 C ATOM 0 H TRP A 45 -4.420 -2.617 -7.090 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.191 -4.248 -4.766 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.656 -2.096 -6.345 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.311 -2.937 -4.955 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.425 -0.485 -5.831 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.812 0.882 -3.722 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.462 -2.869 -2.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.554 0.903 -1.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.456 -2.116 -0.140 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.022 -0.252 0.586 1.00 0.00 H new ATOM 647 N LEU A 46 -6.516 -5.958 -5.947 1.00 0.00 N ATOM 648 CA LEU A 46 -7.233 -7.023 -6.639 1.00 0.00 C ATOM 649 C LEU A 46 -8.616 -7.234 -6.030 1.00 0.00 C ATOM 650 O LEU A 46 -8.769 -7.265 -4.808 1.00 0.00 O ATOM 651 CB LEU A 46 -6.434 -8.326 -6.581 1.00 0.00 C ATOM 652 CG LEU A 46 -4.943 -8.213 -6.905 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.190 -9.426 -6.381 1.00 0.00 C ATOM 654 CD2 LEU A 46 -4.734 -8.060 -8.405 1.00 0.00 C ATOM 0 H LEU A 46 -6.257 -6.180 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.356 -6.726 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.537 -8.748 -5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.884 -9.036 -7.275 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.549 -7.325 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.131 -9.328 -6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.313 -9.491 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.586 -10.329 -6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.668 -7.981 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.143 -8.929 -8.920 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.241 -7.160 -8.753 1.00 0.00 H new ATOM 666 N LEU A 47 -9.619 -7.381 -6.888 1.00 0.00 N ATOM 667 CA LEU A 47 -10.989 -7.591 -6.434 1.00 0.00 C ATOM 668 C LEU A 47 -11.504 -8.958 -6.873 1.00 0.00 C ATOM 669 O LEU A 47 -11.815 -9.168 -8.045 1.00 0.00 O ATOM 670 CB LEU A 47 -11.902 -6.491 -6.978 1.00 0.00 C ATOM 671 CG LEU A 47 -13.332 -6.476 -6.434 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.365 -5.876 -5.037 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.250 -5.703 -7.371 1.00 0.00 C ATOM 0 H LEU A 47 -9.509 -7.359 -7.902 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.994 -7.553 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.443 -5.526 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.948 -6.588 -8.063 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.689 -7.504 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.390 -5.874 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.740 -6.470 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.989 -4.853 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.263 -5.702 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -13.895 -4.676 -7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.250 -6.176 -8.353 1.00 0.00 H new ATOM 685 N ASN A 48 -11.593 -9.884 -5.924 1.00 0.00 N ATOM 686 CA ASN A 48 -12.073 -11.231 -6.213 1.00 0.00 C ATOM 687 C ASN A 48 -11.018 -12.033 -6.969 1.00 0.00 C ATOM 688 O ASN A 48 -11.337 -12.795 -7.881 1.00 0.00 O ATOM 689 CB ASN A 48 -13.365 -11.171 -7.029 1.00 0.00 C ATOM 690 CG ASN A 48 -14.296 -10.070 -6.557 1.00 0.00 C ATOM 691 OD1 ASN A 48 -14.194 -9.599 -5.425 1.00 0.00 O ATOM 692 ND2 ASN A 48 -15.209 -9.655 -7.427 1.00 0.00 N ATOM 0 H ASN A 48 -11.339 -9.727 -4.949 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.273 -11.730 -5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.121 -11.012 -8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.878 -12.130 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.863 -8.916 -7.167 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.257 -10.075 -8.355 1.00 0.00 H new ATOM 699 N GLY A 49 -9.758 -11.857 -6.583 1.00 0.00 N ATOM 700 CA GLY A 49 -8.675 -12.570 -7.234 1.00 0.00 C ATOM 701 C GLY A 49 -8.165 -11.851 -8.466 1.00 0.00 C ATOM 702 O GLY A 49 -6.966 -11.860 -8.746 1.00 0.00 O ATOM 0 H GLY A 49 -9.468 -11.233 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.855 -12.701 -6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.017 -13.566 -7.514 1.00 0.00 H new ATOM 706 N GLN A 50 -9.077 -11.227 -9.206 1.00 0.00 N ATOM 707 CA GLN A 50 -8.711 -10.502 -10.417 1.00 0.00 C ATOM 708 C GLN A 50 -8.368 -9.050 -10.099 1.00 0.00 C ATOM 709 O GLN A 50 -8.916 -8.445 -9.177 1.00 0.00 O ATOM 710 CB GLN A 50 -9.853 -10.558 -11.434 1.00 0.00 C ATOM 711 CG GLN A 50 -11.148 -9.944 -10.929 1.00 0.00 C ATOM 712 CD GLN A 50 -12.345 -10.327 -11.777 1.00 0.00 C ATOM 713 OE1 GLN A 50 -12.338 -10.151 -12.996 1.00 0.00 O ATOM 714 NE2 GLN A 50 -13.382 -10.854 -11.136 1.00 0.00 N ATOM 0 H GLN A 50 -10.073 -11.209 -8.988 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.829 -10.979 -10.844 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.545 -10.040 -12.342 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.035 -11.598 -11.706 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.320 -10.262 -9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.050 -8.859 -10.915 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.345 -10.982 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.215 -11.131 -11.655 1.00 0.00 H new ATOM 723 N PRO A 51 -7.441 -8.477 -10.879 1.00 0.00 N ATOM 724 CA PRO A 51 -7.004 -7.089 -10.700 1.00 0.00 C ATOM 725 C PRO A 51 -8.087 -6.086 -11.084 1.00 0.00 C ATOM 726 O PRO A 51 -9.002 -6.407 -11.843 1.00 0.00 O ATOM 727 CB PRO A 51 -5.806 -6.969 -11.646 1.00 0.00 C ATOM 728 CG PRO A 51 -6.042 -8.005 -12.690 1.00 0.00 C ATOM 729 CD PRO A 51 -6.747 -9.138 -11.997 1.00 0.00 C ATOM 0 HA PRO A 51 -6.767 -6.868 -9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.746 -5.973 -12.084 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.867 -7.144 -11.120 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.648 -7.608 -13.504 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.101 -8.340 -13.127 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.448 -9.642 -12.663 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.044 -9.892 -11.644 1.00 0.00 H new ATOM 737 N ILE A 52 -7.977 -4.872 -10.554 1.00 0.00 N ATOM 738 CA ILE A 52 -8.947 -3.823 -10.843 1.00 0.00 C ATOM 739 C ILE A 52 -8.454 -2.912 -11.962 1.00 0.00 C ATOM 740 O ILE A 52 -7.252 -2.711 -12.127 1.00 0.00 O ATOM 741 CB ILE A 52 -9.242 -2.971 -9.594 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.775 -3.852 -8.463 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.237 -1.869 -9.928 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.861 -3.139 -7.131 1.00 0.00 C ATOM 0 H ILE A 52 -7.227 -4.591 -9.923 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.865 -4.319 -11.160 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.314 -2.507 -9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.765 -4.218 -8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.130 -4.724 -8.358 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.436 -1.275 -9.036 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.822 -1.228 -10.706 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.167 -2.314 -10.282 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.247 -3.824 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.869 -2.796 -6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.529 -2.282 -7.219 1.00 0.00 H new ATOM 756 N GLN A 53 -9.393 -2.362 -12.726 1.00 0.00 N ATOM 757 CA GLN A 53 -9.053 -1.471 -13.829 1.00 0.00 C ATOM 758 C GLN A 53 -9.372 -0.022 -13.476 1.00 0.00 C ATOM 759 O GLN A 53 -8.561 0.876 -13.706 1.00 0.00 O ATOM 760 CB GLN A 53 -9.811 -1.879 -15.094 1.00 0.00 C ATOM 761 CG GLN A 53 -11.319 -1.724 -14.975 1.00 0.00 C ATOM 762 CD GLN A 53 -12.069 -2.470 -16.061 1.00 0.00 C ATOM 763 OE1 GLN A 53 -11.681 -2.444 -17.229 1.00 0.00 O ATOM 764 NE2 GLN A 53 -13.150 -3.141 -15.681 1.00 0.00 N ATOM 0 H GLN A 53 -10.393 -2.518 -12.602 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.982 -1.554 -14.013 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.457 -1.276 -15.930 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.578 -2.918 -15.328 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.642 -2.088 -14.000 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.577 -0.666 -15.022 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -13.436 -3.135 -14.702 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -13.695 -3.662 -16.368 1.00 0.00 H new ATOM 773 N TYR A 54 -10.556 0.199 -12.916 1.00 0.00 N ATOM 774 CA TYR A 54 -10.982 1.539 -12.533 1.00 0.00 C ATOM 775 C TYR A 54 -10.629 1.829 -11.077 1.00 0.00 C ATOM 776 O TYR A 54 -11.434 2.385 -10.331 1.00 0.00 O ATOM 777 CB TYR A 54 -12.489 1.698 -12.745 1.00 0.00 C ATOM 778 CG TYR A 54 -13.321 0.748 -11.913 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.513 -0.569 -12.310 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.913 1.169 -10.728 1.00 0.00 C ATOM 781 CE1 TYR A 54 -14.273 -1.440 -11.553 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.674 0.305 -9.964 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.851 -0.998 -10.381 1.00 0.00 C ATOM 784 OH TYR A 54 -15.607 -1.862 -9.623 1.00 0.00 O ATOM 0 H TYR A 54 -11.238 -0.533 -12.717 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.455 2.254 -13.165 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.775 2.722 -12.506 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.718 1.540 -13.799 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -13.060 -0.918 -13.226 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.776 2.188 -10.399 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.414 -2.461 -11.877 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -15.128 0.648 -9.046 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.941 -1.394 -8.829 1.00 0.00 H new ATOM 794 N ALA A 55 -9.419 1.447 -10.682 1.00 0.00 N ATOM 795 CA ALA A 55 -8.957 1.667 -9.317 1.00 0.00 C ATOM 796 C ALA A 55 -8.125 2.941 -9.218 1.00 0.00 C ATOM 797 O ALA A 55 -7.007 3.005 -9.730 1.00 0.00 O ATOM 798 CB ALA A 55 -8.152 0.470 -8.833 1.00 0.00 C ATOM 0 H ALA A 55 -8.741 0.984 -11.288 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.832 1.785 -8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.813 0.648 -7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.777 -0.423 -8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.288 0.326 -9.482 1.00 0.00 H new ATOM 804 N ARG A 56 -8.678 3.954 -8.559 1.00 0.00 N ATOM 805 CA ARG A 56 -7.987 5.227 -8.395 1.00 0.00 C ATOM 806 C ARG A 56 -7.258 5.282 -7.056 1.00 0.00 C ATOM 807 O ARG A 56 -7.598 6.083 -6.185 1.00 0.00 O ATOM 808 CB ARG A 56 -8.980 6.387 -8.495 1.00 0.00 C ATOM 809 CG ARG A 56 -9.505 6.619 -9.902 1.00 0.00 C ATOM 810 CD ARG A 56 -9.955 8.058 -10.099 1.00 0.00 C ATOM 811 NE ARG A 56 -11.275 8.303 -9.524 1.00 0.00 N ATOM 812 CZ ARG A 56 -11.819 9.510 -9.420 1.00 0.00 C ATOM 813 NH1 ARG A 56 -11.161 10.577 -9.851 1.00 0.00 N ATOM 814 NH2 ARG A 56 -13.025 9.652 -8.885 1.00 0.00 N ATOM 0 H ARG A 56 -9.603 3.918 -8.130 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.251 5.317 -9.194 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.821 6.192 -7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.498 7.298 -8.141 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.727 6.378 -10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.340 5.946 -10.095 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.230 8.730 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.975 8.289 -11.164 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.808 7.503 -9.184 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.234 10.472 -10.264 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.582 11.503 -9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.535 8.834 -8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.442 10.580 -8.806 1.00 0.00 H new ATOM 828 N SER A 57 -6.256 4.424 -6.898 1.00 0.00 N ATOM 829 CA SER A 57 -5.481 4.371 -5.663 1.00 0.00 C ATOM 830 C SER A 57 -4.392 5.439 -5.659 1.00 0.00 C ATOM 831 O SER A 57 -3.925 5.871 -6.714 1.00 0.00 O ATOM 832 CB SER A 57 -4.854 2.987 -5.488 1.00 0.00 C ATOM 833 OG SER A 57 -3.833 3.010 -4.506 1.00 0.00 O ATOM 0 H SER A 57 -5.961 3.755 -7.610 1.00 0.00 H new ATOM 0 HA SER A 57 -6.158 4.563 -4.830 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.623 2.270 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.441 2.649 -6.438 1.00 0.00 H new ATOM 0 HG SER A 57 -4.184 3.400 -3.678 1.00 0.00 H new ATOM 839 N THR A 58 -3.991 5.862 -4.465 1.00 0.00 N ATOM 840 CA THR A 58 -2.958 6.880 -4.321 1.00 0.00 C ATOM 841 C THR A 58 -2.067 6.594 -3.118 1.00 0.00 C ATOM 842 O THR A 58 -2.531 6.593 -1.977 1.00 0.00 O ATOM 843 CB THR A 58 -3.571 8.285 -4.170 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.547 8.283 -3.123 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.216 8.737 -5.471 1.00 0.00 C ATOM 0 H THR A 58 -4.366 5.515 -3.582 1.00 0.00 H new ATOM 0 HA THR A 58 -2.356 6.850 -5.229 1.00 0.00 H new ATOM 0 HB THR A 58 -2.771 8.981 -3.919 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.216 7.753 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.642 9.732 -5.340 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.464 8.766 -6.259 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.005 8.038 -5.748 1.00 0.00 H new ATOM 853 N CYS A 59 -0.787 6.353 -3.379 1.00 0.00 N ATOM 854 CA CYS A 59 0.169 6.065 -2.316 1.00 0.00 C ATOM 855 C CYS A 59 0.943 7.321 -1.926 1.00 0.00 C ATOM 856 O CYS A 59 1.587 7.949 -2.766 1.00 0.00 O ATOM 857 CB CYS A 59 1.140 4.969 -2.757 1.00 0.00 C ATOM 858 SG CYS A 59 2.069 5.366 -4.256 1.00 0.00 S ATOM 0 H CYS A 59 -0.387 6.351 -4.317 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.387 5.718 -1.445 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.843 4.774 -1.947 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.581 4.048 -2.922 1.00 0.00 H new ATOM 0 HG CYS A 59 2.249 6.652 -4.328 1.00 0.00 H new ATOM 864 N GLU A 60 0.874 7.680 -0.648 1.00 0.00 N ATOM 865 CA GLU A 60 1.567 8.862 -0.149 1.00 0.00 C ATOM 866 C GLU A 60 2.367 8.534 1.108 1.00 0.00 C ATOM 867 O GLU A 60 1.835 7.976 2.067 1.00 0.00 O ATOM 868 CB GLU A 60 0.565 9.980 0.148 1.00 0.00 C ATOM 869 CG GLU A 60 0.276 10.872 -1.048 1.00 0.00 C ATOM 870 CD GLU A 60 -1.114 11.477 -1.002 1.00 0.00 C ATOM 871 OE1 GLU A 60 -2.067 10.810 -1.455 1.00 0.00 O ATOM 872 OE2 GLU A 60 -1.247 12.619 -0.512 1.00 0.00 O ATOM 0 H GLU A 60 0.346 7.170 0.060 1.00 0.00 H new ATOM 0 HA GLU A 60 2.259 9.199 -0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.369 9.537 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.949 10.593 0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.015 11.672 -1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.386 10.292 -1.964 1.00 0.00 H new ATOM 879 N ALA A 61 3.649 8.884 1.094 1.00 0.00 N ATOM 880 CA ALA A 61 4.523 8.628 2.233 1.00 0.00 C ATOM 881 C ALA A 61 4.349 7.204 2.748 1.00 0.00 C ATOM 882 O ALA A 61 4.385 6.961 3.954 1.00 0.00 O ATOM 883 CB ALA A 61 4.249 9.631 3.344 1.00 0.00 C ATOM 0 H ALA A 61 4.105 9.345 0.307 1.00 0.00 H new ATOM 0 HA ALA A 61 5.555 8.743 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.908 9.428 4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.431 10.641 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.211 9.544 3.665 1.00 0.00 H new ATOM 889 N GLY A 62 4.161 6.264 1.827 1.00 0.00 N ATOM 890 CA GLY A 62 3.984 4.875 2.209 1.00 0.00 C ATOM 891 C GLY A 62 2.601 4.598 2.764 1.00 0.00 C ATOM 892 O GLY A 62 2.433 3.746 3.637 1.00 0.00 O ATOM 0 H GLY A 62 4.128 6.440 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.158 4.238 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.732 4.609 2.956 1.00 0.00 H new ATOM 896 N VAL A 63 1.606 5.321 2.259 1.00 0.00 N ATOM 897 CA VAL A 63 0.231 5.150 2.711 1.00 0.00 C ATOM 898 C VAL A 63 -0.699 4.851 1.540 1.00 0.00 C ATOM 899 O VAL A 63 -1.230 5.763 0.907 1.00 0.00 O ATOM 900 CB VAL A 63 -0.278 6.402 3.449 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.707 6.196 3.929 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.640 6.744 4.613 1.00 0.00 C ATOM 0 H VAL A 63 1.727 6.031 1.537 1.00 0.00 H new ATOM 0 HA VAL A 63 0.228 4.305 3.400 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.272 7.240 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.049 7.091 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.354 6.003 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.743 5.346 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.265 7.631 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.668 5.908 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.645 6.938 4.239 1.00 0.00 H new ATOM 912 N ALA A 64 -0.891 3.567 1.257 1.00 0.00 N ATOM 913 CA ALA A 64 -1.759 3.147 0.164 1.00 0.00 C ATOM 914 C ALA A 64 -3.223 3.423 0.488 1.00 0.00 C ATOM 915 O ALA A 64 -3.672 3.201 1.612 1.00 0.00 O ATOM 916 CB ALA A 64 -1.552 1.670 -0.137 1.00 0.00 C ATOM 0 H ALA A 64 -0.457 2.799 1.770 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.495 3.727 -0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.207 1.370 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.514 1.499 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.787 1.082 0.750 1.00 0.00 H new ATOM 922 N GLU A 65 -3.963 3.909 -0.504 1.00 0.00 N ATOM 923 CA GLU A 65 -5.377 4.217 -0.322 1.00 0.00 C ATOM 924 C GLU A 65 -6.150 4.011 -1.621 1.00 0.00 C ATOM 925 O GLU A 65 -5.618 4.217 -2.713 1.00 0.00 O ATOM 926 CB GLU A 65 -5.550 5.657 0.164 1.00 0.00 C ATOM 927 CG GLU A 65 -4.619 6.030 1.306 1.00 0.00 C ATOM 928 CD GLU A 65 -5.084 7.262 2.059 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.305 7.392 2.285 1.00 0.00 O ATOM 930 OE2 GLU A 65 -4.227 8.095 2.421 1.00 0.00 O ATOM 0 H GLU A 65 -3.607 4.098 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.776 3.537 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.378 6.336 -0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.581 5.802 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.546 5.192 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.618 6.206 0.911 1.00 0.00 H new ATOM 937 N LEU A 66 -7.408 3.602 -1.496 1.00 0.00 N ATOM 938 CA LEU A 66 -8.256 3.367 -2.660 1.00 0.00 C ATOM 939 C LEU A 66 -9.583 4.106 -2.524 1.00 0.00 C ATOM 940 O LEU A 66 -10.518 3.615 -1.890 1.00 0.00 O ATOM 941 CB LEU A 66 -8.509 1.869 -2.837 1.00 0.00 C ATOM 942 CG LEU A 66 -9.434 1.476 -3.989 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.682 1.503 -5.310 1.00 0.00 C ATOM 944 CD2 LEU A 66 -10.036 0.100 -3.744 1.00 0.00 C ATOM 0 H LEU A 66 -7.863 3.426 -0.600 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.737 3.748 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.549 1.374 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.931 1.480 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.246 2.202 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.356 1.221 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.300 2.508 -5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.850 0.800 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.692 -0.163 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.237 -0.638 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.611 0.114 -2.818 1.00 0.00 H new ATOM 956 N HIS A 67 -9.660 5.289 -3.126 1.00 0.00 N ATOM 957 CA HIS A 67 -10.874 6.095 -3.075 1.00 0.00 C ATOM 958 C HIS A 67 -11.968 5.486 -3.947 1.00 0.00 C ATOM 959 O HIS A 67 -11.920 5.577 -5.174 1.00 0.00 O ATOM 960 CB HIS A 67 -10.582 7.526 -3.529 1.00 0.00 C ATOM 961 CG HIS A 67 -9.647 8.263 -2.621 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.027 9.365 -1.884 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.343 8.050 -2.330 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.996 9.799 -1.181 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.962 9.018 -1.434 1.00 0.00 N ATOM 0 H HIS A 67 -8.896 5.710 -3.655 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.224 6.114 -2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -10.156 7.500 -4.532 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.521 8.076 -3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.718 7.265 -2.728 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.999 10.648 -0.513 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.031 9.118 -1.029 1.00 0.00 H new ATOM 974 N ILE A 68 -12.952 4.864 -3.305 1.00 0.00 N ATOM 975 CA ILE A 68 -14.056 4.240 -4.023 1.00 0.00 C ATOM 976 C ILE A 68 -15.363 4.985 -3.775 1.00 0.00 C ATOM 977 O ILE A 68 -15.855 5.036 -2.648 1.00 0.00 O ATOM 978 CB ILE A 68 -14.233 2.766 -3.613 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.980 1.962 -3.965 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.459 2.171 -4.290 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.619 2.019 -5.433 1.00 0.00 C ATOM 0 H ILE A 68 -13.007 4.779 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.809 4.286 -5.084 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.380 2.720 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.141 2.336 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.132 0.922 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.570 1.129 -3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.346 2.731 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.340 2.226 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.721 1.427 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.441 1.618 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.434 3.054 -5.722 1.00 0.00 H new ATOM 993 N GLN A 69 -15.921 5.559 -4.836 1.00 0.00 N ATOM 994 CA GLN A 69 -17.172 6.301 -4.733 1.00 0.00 C ATOM 995 C GLN A 69 -18.348 5.453 -5.207 1.00 0.00 C ATOM 996 O GLN A 69 -18.164 4.447 -5.892 1.00 0.00 O ATOM 997 CB GLN A 69 -17.095 7.590 -5.552 1.00 0.00 C ATOM 998 CG GLN A 69 -16.850 7.355 -7.034 1.00 0.00 C ATOM 999 CD GLN A 69 -15.376 7.253 -7.373 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -14.514 7.549 -6.545 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -15.077 6.830 -8.596 1.00 0.00 N ATOM 0 H GLN A 69 -15.527 5.525 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.329 6.555 -3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -18.025 8.145 -5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.296 8.216 -5.155 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -17.354 6.438 -7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.295 8.170 -7.606 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.823 6.595 -9.251 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.102 6.740 -8.880 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.556 5.866 -4.838 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.762 5.145 -5.227 1.00 0.00 C ATOM 1012 C ASP A 70 -20.667 3.675 -4.832 1.00 0.00 C ATOM 1013 O ASP A 70 -21.055 2.791 -5.595 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.992 5.268 -6.734 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.519 6.633 -7.130 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -22.352 7.187 -6.382 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -21.099 7.148 -8.187 1.00 0.00 O ATOM 0 H ASP A 70 -19.726 6.696 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.607 5.590 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -20.056 5.077 -7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.698 4.502 -7.054 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.147 3.421 -3.636 1.00 0.00 N ATOM 1023 CA ALA A 71 -20.002 2.058 -3.140 1.00 0.00 C ATOM 1024 C ALA A 71 -21.261 1.240 -3.404 1.00 0.00 C ATOM 1025 O ALA A 71 -22.232 1.314 -2.649 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.680 2.069 -1.653 1.00 0.00 C ATOM 0 H ALA A 71 -19.819 4.141 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.177 1.589 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.574 1.045 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.748 2.609 -1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.487 2.561 -1.110 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.240 0.461 -4.479 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.382 -0.371 -4.844 1.00 0.00 C ATOM 1034 C LEU A 72 -22.261 -1.762 -4.229 1.00 0.00 C ATOM 1035 O LEU A 72 -21.171 -2.226 -3.894 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.492 -0.482 -6.366 1.00 0.00 C ATOM 1037 CG LEU A 72 -23.115 0.716 -7.082 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.758 0.699 -8.561 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.626 0.722 -6.897 1.00 0.00 C ATOM 0 H LEU A 72 -20.445 0.388 -5.114 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.284 0.102 -4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.493 -0.643 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.080 -1.368 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.711 1.628 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.210 1.559 -9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.675 0.744 -8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -23.133 -0.218 -9.015 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -25.052 1.582 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -25.047 -0.195 -7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.862 0.783 -5.835 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.405 -2.445 -4.079 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.453 -3.793 -3.506 1.00 0.00 C ATOM 1053 C PRO A 73 -22.837 -4.838 -4.431 1.00 0.00 C ATOM 1054 O PRO A 73 -22.722 -6.008 -4.069 1.00 0.00 O ATOM 1055 CB PRO A 73 -24.952 -4.051 -3.332 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.608 -3.176 -4.344 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.741 -1.953 -4.457 1.00 0.00 C ATOM 0 HA PRO A 73 -22.884 -3.863 -2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.195 -5.100 -3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.281 -3.804 -2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.692 -3.685 -5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.619 -2.911 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.748 -1.547 -5.469 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.079 -1.158 -3.792 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.443 -4.406 -5.625 1.00 0.00 N ATOM 1066 CA GLU A 74 -21.839 -5.305 -6.600 1.00 0.00 C ATOM 1067 C GLU A 74 -20.317 -5.204 -6.564 1.00 0.00 C ATOM 1068 O GLU A 74 -19.614 -6.056 -7.109 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.349 -4.985 -8.007 1.00 0.00 C ATOM 1070 CG GLU A 74 -21.992 -3.586 -8.480 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.729 -3.192 -9.745 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -23.963 -3.013 -9.683 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -22.070 -3.063 -10.799 1.00 0.00 O ATOM 0 H GLU A 74 -22.531 -3.440 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.124 -6.325 -6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.938 -5.712 -8.707 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.433 -5.101 -8.027 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.223 -2.870 -7.691 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.918 -3.529 -8.657 1.00 0.00 H new ATOM 1080 N ASP A 75 -19.815 -4.157 -5.920 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.376 -3.943 -5.812 1.00 0.00 C ATOM 1082 C ASP A 75 -17.794 -4.744 -4.651 1.00 0.00 C ATOM 1083 O ASP A 75 -16.656 -5.212 -4.715 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.072 -2.456 -5.625 1.00 0.00 C ATOM 1085 CG ASP A 75 -17.912 -1.727 -6.944 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -18.831 -1.814 -7.785 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.866 -1.071 -7.137 1.00 0.00 O ATOM 0 H ASP A 75 -20.383 -3.443 -5.464 1.00 0.00 H new ATOM 0 HA ASP A 75 -17.912 -4.287 -6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.876 -1.993 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.159 -2.346 -5.039 1.00 0.00 H new ATOM 1092 N HIS A 76 -18.580 -4.897 -3.591 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.142 -5.641 -2.415 1.00 0.00 C ATOM 1094 C HIS A 76 -17.414 -6.919 -2.821 1.00 0.00 C ATOM 1095 O HIS A 76 -17.777 -7.567 -3.802 1.00 0.00 O ATOM 1096 CB HIS A 76 -19.338 -5.981 -1.526 1.00 0.00 C ATOM 1097 CG HIS A 76 -19.981 -7.291 -1.863 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.292 -7.667 -3.153 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -20.372 -8.316 -1.070 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.846 -8.866 -3.138 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -20.906 -9.282 -1.886 1.00 0.00 N ATOM 0 H HIS A 76 -19.524 -4.516 -3.522 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.450 -5.012 -1.854 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.013 -6.002 -0.486 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.081 -5.188 -1.612 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -20.281 -8.365 0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.191 -9.413 -4.003 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -21.287 -10.176 -1.576 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.384 -7.275 -2.059 1.00 0.00 N ATOM 1111 CA GLY A 77 -15.622 -8.474 -2.356 1.00 0.00 C ATOM 1112 C GLY A 77 -14.432 -8.647 -1.433 1.00 0.00 C ATOM 1113 O GLY A 77 -14.567 -8.575 -0.212 1.00 0.00 O ATOM 0 H GLY A 77 -16.064 -6.755 -1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.273 -9.345 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.275 -8.434 -3.388 1.00 0.00 H new ATOM 1117 N THR A 78 -13.261 -8.880 -2.018 1.00 0.00 N ATOM 1118 CA THR A 78 -12.042 -9.068 -1.240 1.00 0.00 C ATOM 1119 C THR A 78 -10.887 -8.263 -1.825 1.00 0.00 C ATOM 1120 O THR A 78 -10.254 -8.682 -2.794 1.00 0.00 O ATOM 1121 CB THR A 78 -11.639 -10.553 -1.178 1.00 0.00 C ATOM 1122 OG1 THR A 78 -12.738 -11.340 -0.706 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.438 -10.749 -0.265 1.00 0.00 C ATOM 0 H THR A 78 -13.131 -8.943 -3.028 1.00 0.00 H new ATOM 0 HA THR A 78 -12.253 -8.714 -0.231 1.00 0.00 H new ATOM 0 HB THR A 78 -11.368 -10.876 -2.183 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.474 -12.283 -0.671 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.171 -11.805 -0.237 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.595 -10.172 -0.644 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.686 -10.410 0.741 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.618 -7.106 -1.231 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.539 -6.241 -1.695 1.00 0.00 C ATOM 1133 C TYR A 79 -8.183 -6.772 -1.241 1.00 0.00 C ATOM 1134 O TYR A 79 -7.909 -6.871 -0.044 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.741 -4.816 -1.177 1.00 0.00 C ATOM 1136 CG TYR A 79 -10.823 -4.054 -1.909 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -10.539 -3.354 -3.075 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -12.128 -4.031 -1.433 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -11.523 -2.656 -3.747 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -13.119 -3.336 -2.099 1.00 0.00 C ATOM 1141 CZ TYR A 79 -12.812 -2.650 -3.255 1.00 0.00 C ATOM 1142 OH TYR A 79 -13.796 -1.956 -3.920 1.00 0.00 O ATOM 0 H TYR A 79 -11.132 -6.745 -0.427 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.559 -6.230 -2.785 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -9.990 -4.856 -0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.802 -4.270 -1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.531 -3.356 -3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.372 -4.566 -0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.285 -2.118 -4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.129 -3.330 -1.716 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.646 -2.055 -3.442 1.00 0.00 H new ATOM 1152 N THR A 80 -7.335 -7.112 -2.207 1.00 0.00 N ATOM 1153 CA THR A 80 -6.006 -7.633 -1.909 1.00 0.00 C ATOM 1154 C THR A 80 -4.920 -6.700 -2.433 1.00 0.00 C ATOM 1155 O THR A 80 -4.706 -6.599 -3.642 1.00 0.00 O ATOM 1156 CB THR A 80 -5.803 -9.033 -2.518 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.808 -9.929 -2.031 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.423 -9.576 -2.176 1.00 0.00 C ATOM 0 H THR A 80 -7.545 -7.036 -3.202 1.00 0.00 H new ATOM 0 HA THR A 80 -5.929 -7.702 -0.824 1.00 0.00 H new ATOM 0 HB THR A 80 -5.885 -8.950 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.673 -10.817 -2.424 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.302 -10.566 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.660 -8.906 -2.573 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.317 -9.645 -1.093 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.237 -6.023 -1.518 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.171 -5.098 -1.888 1.00 0.00 C ATOM 1168 C CYS A 81 -1.820 -5.804 -1.904 1.00 0.00 C ATOM 1169 O CYS A 81 -1.260 -6.121 -0.854 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.132 -3.917 -0.917 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.402 -2.415 -1.610 1.00 0.00 S ATOM 0 H CYS A 81 -4.402 -6.097 -0.514 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.378 -4.727 -2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.148 -3.696 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.567 -4.207 -0.031 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.346 -1.574 -1.914 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.301 -6.050 -3.102 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.015 -6.721 -3.256 1.00 0.00 C ATOM 1179 C LEU A 82 1.118 -5.706 -3.379 1.00 0.00 C ATOM 1180 O LEU A 82 1.149 -4.907 -4.314 1.00 0.00 O ATOM 1181 CB LEU A 82 -0.035 -7.630 -4.486 1.00 0.00 C ATOM 1182 CG LEU A 82 1.322 -8.156 -4.955 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.022 -8.904 -3.831 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.154 -9.054 -6.172 1.00 0.00 C ATOM 0 H LEU A 82 -1.751 -5.795 -3.981 1.00 0.00 H new ATOM 0 HA LEU A 82 0.159 -7.327 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.678 -8.483 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.494 -7.083 -5.309 1.00 0.00 H new ATOM 0 HG LEU A 82 1.942 -7.305 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.986 -9.271 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.176 -8.231 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.406 -9.746 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.130 -9.419 -6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.516 -9.900 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.695 -8.487 -6.982 1.00 0.00 H new ATOM 1196 N ALA A 83 2.046 -5.746 -2.429 1.00 0.00 N ATOM 1197 CA ALA A 83 3.183 -4.833 -2.433 1.00 0.00 C ATOM 1198 C ALA A 83 4.502 -5.598 -2.406 1.00 0.00 C ATOM 1199 O ALA A 83 4.933 -6.072 -1.356 1.00 0.00 O ATOM 1200 CB ALA A 83 3.099 -3.881 -1.249 1.00 0.00 C ATOM 0 H ALA A 83 2.033 -6.401 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 83 3.148 -4.253 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.954 -3.205 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.178 -3.302 -1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.105 -4.453 -0.321 1.00 0.00 H new ATOM 1206 N GLU A 84 5.137 -5.715 -3.568 1.00 0.00 N ATOM 1207 CA GLU A 84 6.406 -6.424 -3.676 1.00 0.00 C ATOM 1208 C GLU A 84 7.467 -5.544 -4.331 1.00 0.00 C ATOM 1209 O GLU A 84 7.154 -4.682 -5.151 1.00 0.00 O ATOM 1210 CB GLU A 84 6.228 -7.712 -4.483 1.00 0.00 C ATOM 1211 CG GLU A 84 5.914 -7.474 -5.950 1.00 0.00 C ATOM 1212 CD GLU A 84 5.513 -8.744 -6.675 1.00 0.00 C ATOM 1213 OE1 GLU A 84 4.328 -9.129 -6.583 1.00 0.00 O ATOM 1214 OE2 GLU A 84 6.382 -9.352 -7.333 1.00 0.00 O ATOM 0 H GLU A 84 4.793 -5.328 -4.447 1.00 0.00 H new ATOM 0 HA GLU A 84 6.739 -6.677 -2.669 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.138 -8.307 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.425 -8.300 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.109 -6.744 -6.031 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.787 -7.041 -6.439 1.00 0.00 H new ATOM 1221 N ASN A 85 8.724 -5.768 -3.960 1.00 0.00 N ATOM 1222 CA ASN A 85 9.832 -4.995 -4.509 1.00 0.00 C ATOM 1223 C ASN A 85 11.021 -5.897 -4.824 1.00 0.00 C ATOM 1224 O ASN A 85 10.938 -7.119 -4.697 1.00 0.00 O ATOM 1225 CB ASN A 85 10.254 -3.901 -3.527 1.00 0.00 C ATOM 1226 CG ASN A 85 10.949 -4.461 -2.301 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.276 -5.646 -2.247 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.178 -3.608 -1.310 1.00 0.00 N ATOM 0 H ASN A 85 9.000 -6.478 -3.282 1.00 0.00 H new ATOM 0 HA ASN A 85 9.495 -4.531 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.921 -3.201 -4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.375 -3.336 -3.217 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.643 -3.927 -0.460 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.889 -2.634 -1.399 1.00 0.00 H new ATOM 1235 N ALA A 86 12.127 -5.287 -5.236 1.00 0.00 N ATOM 1236 CA ALA A 86 13.334 -6.034 -5.567 1.00 0.00 C ATOM 1237 C ALA A 86 13.881 -6.763 -4.344 1.00 0.00 C ATOM 1238 O ALA A 86 14.664 -7.705 -4.469 1.00 0.00 O ATOM 1239 CB ALA A 86 14.390 -5.103 -6.144 1.00 0.00 C ATOM 0 H ALA A 86 12.212 -4.277 -5.349 1.00 0.00 H new ATOM 0 HA ALA A 86 13.075 -6.781 -6.317 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.286 -5.675 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.005 -4.632 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.637 -4.335 -5.411 1.00 0.00 H new ATOM 1245 N LEU A 87 13.465 -6.321 -3.162 1.00 0.00 N ATOM 1246 CA LEU A 87 13.913 -6.931 -1.916 1.00 0.00 C ATOM 1247 C LEU A 87 13.040 -8.127 -1.549 1.00 0.00 C ATOM 1248 O LEU A 87 13.454 -9.277 -1.688 1.00 0.00 O ATOM 1249 CB LEU A 87 13.890 -5.902 -0.784 1.00 0.00 C ATOM 1250 CG LEU A 87 15.166 -5.082 -0.596 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.250 -5.922 0.061 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.650 -4.535 -1.931 1.00 0.00 C ATOM 0 H LEU A 87 12.818 -5.542 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 87 14.935 -7.282 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.063 -5.214 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.676 -6.423 0.149 1.00 0.00 H new ATOM 0 HG LEU A 87 14.940 -4.241 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.150 -5.321 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.904 -6.265 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.474 -6.784 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.559 -3.954 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.858 -5.362 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.880 -3.896 -2.363 1.00 0.00 H new ATOM 1264 N GLY A 88 11.827 -7.847 -1.083 1.00 0.00 N ATOM 1265 CA GLY A 88 10.913 -8.909 -0.706 1.00 0.00 C ATOM 1266 C GLY A 88 9.561 -8.778 -1.380 1.00 0.00 C ATOM 1267 O GLY A 88 9.427 -8.078 -2.383 1.00 0.00 O ATOM 0 H GLY A 88 11.461 -6.903 -0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.353 -9.872 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.778 -8.901 0.376 1.00 0.00 H new ATOM 1271 N GLN A 89 8.559 -9.454 -0.828 1.00 0.00 N ATOM 1272 CA GLN A 89 7.212 -9.410 -1.384 1.00 0.00 C ATOM 1273 C GLN A 89 6.177 -9.806 -0.336 1.00 0.00 C ATOM 1274 O GLN A 89 6.287 -10.857 0.294 1.00 0.00 O ATOM 1275 CB GLN A 89 7.107 -10.338 -2.596 1.00 0.00 C ATOM 1276 CG GLN A 89 7.425 -11.791 -2.279 1.00 0.00 C ATOM 1277 CD GLN A 89 7.152 -12.716 -3.448 1.00 0.00 C ATOM 1278 OE1 GLN A 89 8.028 -13.468 -3.878 1.00 0.00 O ATOM 1279 NE2 GLN A 89 5.933 -12.667 -3.971 1.00 0.00 N ATOM 0 H GLN A 89 8.654 -10.038 0.003 1.00 0.00 H new ATOM 0 HA GLN A 89 7.010 -8.386 -1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.098 -10.276 -3.004 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.787 -9.987 -3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.473 -11.875 -1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.832 -12.110 -1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.237 -12.029 -3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.692 -13.267 -4.760 1.00 0.00 H new ATOM 1288 N VAL A 90 5.171 -8.955 -0.154 1.00 0.00 N ATOM 1289 CA VAL A 90 4.116 -9.216 0.818 1.00 0.00 C ATOM 1290 C VAL A 90 2.738 -9.006 0.201 1.00 0.00 C ATOM 1291 O VAL A 90 2.599 -8.335 -0.821 1.00 0.00 O ATOM 1292 CB VAL A 90 4.256 -8.310 2.055 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.609 -8.519 2.720 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.062 -6.851 1.672 1.00 0.00 C ATOM 0 H VAL A 90 5.065 -8.080 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 90 4.219 -10.256 1.126 1.00 0.00 H new ATOM 0 HB VAL A 90 3.480 -8.580 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.690 -7.870 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.705 -9.559 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.403 -8.277 2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.164 -6.225 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.814 -6.565 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.068 -6.716 1.245 1.00 0.00 H new ATOM 1304 N SER A 91 1.720 -9.583 0.831 1.00 0.00 N ATOM 1305 CA SER A 91 0.351 -9.462 0.343 1.00 0.00 C ATOM 1306 C SER A 91 -0.645 -9.527 1.497 1.00 0.00 C ATOM 1307 O SER A 91 -0.496 -10.333 2.416 1.00 0.00 O ATOM 1308 CB SER A 91 0.048 -10.569 -0.669 1.00 0.00 C ATOM 1309 OG SER A 91 0.352 -11.846 -0.135 1.00 0.00 O ATOM 0 H SER A 91 1.817 -10.139 1.681 1.00 0.00 H new ATOM 0 HA SER A 91 0.251 -8.494 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.004 -10.530 -0.951 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.627 -10.404 -1.577 1.00 0.00 H new ATOM 0 HG SER A 91 0.148 -12.536 -0.800 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.660 -8.672 1.442 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.682 -8.630 2.482 1.00 0.00 C ATOM 1317 C CYS A 92 -4.080 -8.628 1.872 1.00 0.00 C ATOM 1318 O CYS A 92 -4.247 -8.378 0.678 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.494 -7.391 3.360 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.651 -5.825 2.470 1.00 0.00 S ATOM 0 H CYS A 92 -1.797 -7.998 0.688 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.576 -9.523 3.098 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.229 -7.414 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.509 -7.435 3.826 1.00 0.00 H new ATOM 0 HG CYS A 92 -1.473 -5.411 2.108 1.00 0.00 H new ATOM 1326 N SER A 93 -5.081 -8.911 2.699 1.00 0.00 N ATOM 1327 CA SER A 93 -6.465 -8.948 2.240 1.00 0.00 C ATOM 1328 C SER A 93 -7.419 -8.541 3.358 1.00 0.00 C ATOM 1329 O SER A 93 -7.117 -8.709 4.539 1.00 0.00 O ATOM 1330 CB SER A 93 -6.820 -10.348 1.735 1.00 0.00 C ATOM 1331 OG SER A 93 -8.127 -10.378 1.190 1.00 0.00 O ATOM 0 H SER A 93 -4.960 -9.118 3.690 1.00 0.00 H new ATOM 0 HA SER A 93 -6.569 -8.237 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.100 -10.658 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.748 -11.063 2.555 1.00 0.00 H new ATOM 0 HG SER A 93 -8.716 -10.894 1.780 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.573 -8.005 2.976 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.574 -7.575 3.945 1.00 0.00 C ATOM 1339 C ALA A 94 -10.985 -7.800 3.413 1.00 0.00 C ATOM 1340 O ALA A 94 -11.236 -7.668 2.215 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.369 -6.110 4.300 1.00 0.00 C ATOM 0 H ALA A 94 -8.838 -7.858 2.002 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.454 -8.176 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.123 -5.802 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.377 -5.975 4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.460 -5.501 3.400 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.903 -8.141 4.311 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.290 -8.386 3.931 1.00 0.00 C ATOM 1349 C TRP A 95 -14.123 -7.116 4.067 1.00 0.00 C ATOM 1350 O TRP A 95 -14.160 -6.497 5.130 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.888 -9.498 4.794 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.303 -9.835 4.431 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.436 -9.268 4.940 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.734 -10.818 3.484 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.546 -9.839 4.365 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -17.142 -10.792 3.468 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -15.067 -11.716 2.646 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.892 -11.631 2.648 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.813 -12.547 1.832 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -17.214 -12.500 1.838 1.00 0.00 C ATOM 0 H TRP A 95 -11.712 -8.254 5.307 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.305 -8.699 2.887 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -13.273 -10.393 4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.851 -9.196 5.841 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.457 -8.486 5.685 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.514 -9.593 4.573 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.988 -11.760 2.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.971 -11.597 2.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -15.308 -13.245 1.180 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.769 -13.163 1.190 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.792 -6.733 2.984 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.626 -5.538 2.983 1.00 0.00 C ATOM 1373 C VAL A 96 -17.080 -5.883 2.680 1.00 0.00 C ATOM 1374 O VAL A 96 -17.367 -6.703 1.807 1.00 0.00 O ATOM 1375 CB VAL A 96 -15.129 -4.507 1.952 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -16.062 -3.307 1.905 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.707 -4.075 2.275 1.00 0.00 C ATOM 0 H VAL A 96 -14.772 -7.234 2.096 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.559 -5.104 3.981 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.128 -4.974 0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.695 -2.589 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.063 -3.635 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.098 -2.836 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.371 -3.347 1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.680 -3.625 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -13.049 -4.944 2.253 1.00 0.00 H new ATOM 1387 N THR A 97 -17.997 -5.250 3.406 1.00 0.00 N ATOM 1388 CA THR A 97 -19.422 -5.490 3.216 1.00 0.00 C ATOM 1389 C THR A 97 -20.174 -4.183 2.993 1.00 0.00 C ATOM 1390 O THR A 97 -19.956 -3.200 3.702 1.00 0.00 O ATOM 1391 CB THR A 97 -20.034 -6.221 4.425 1.00 0.00 C ATOM 1392 OG1 THR A 97 -19.197 -7.317 4.811 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.429 -6.733 4.098 1.00 0.00 C ATOM 0 H THR A 97 -17.778 -4.567 4.131 1.00 0.00 H new ATOM 0 HA THR A 97 -19.522 -6.119 2.332 1.00 0.00 H new ATOM 0 HB THR A 97 -20.108 -5.513 5.250 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.593 -7.775 5.581 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.841 -7.246 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 97 -22.072 -5.894 3.833 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.375 -7.427 3.259 1.00 0.00 H new ATOM 1401 N VAL A 98 -21.061 -4.178 2.003 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.847 -2.991 1.687 1.00 0.00 C ATOM 1403 C VAL A 98 -23.316 -3.195 2.041 1.00 0.00 C ATOM 1404 O VAL A 98 -23.975 -4.092 1.513 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.737 -2.625 0.195 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.439 -1.305 -0.085 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.278 -2.563 -0.231 1.00 0.00 C ATOM 0 H VAL A 98 -21.253 -4.982 1.406 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.441 -2.175 2.285 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.230 -3.402 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.350 -1.063 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.493 -1.390 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.978 -0.515 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.218 -2.303 -1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.759 -1.807 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.810 -3.534 -0.069 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.825 -2.358 2.940 1.00 0.00 N ATOM 1418 CA HIS A 99 -25.217 -2.445 3.364 1.00 0.00 C ATOM 1419 C HIS A 99 -26.160 -2.191 2.192 1.00 0.00 C ATOM 1420 O HIS A 99 -26.370 -1.046 1.790 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.495 -1.442 4.484 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.726 -1.717 5.739 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.956 -2.818 6.537 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.723 -1.028 6.332 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -24.130 -2.793 7.567 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.370 -1.717 7.467 1.00 0.00 N ATOM 0 H HIS A 99 -23.294 -1.612 3.389 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.394 -3.454 3.737 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.252 -0.440 4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.561 -1.450 4.712 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.655 -3.539 6.359 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.282 -0.108 5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -24.084 -3.528 8.357 1.00 0.00 H new