USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 894 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 75 HIS : no HE2:sc= -2.67! C(o=-3.6!,f=-6.7!) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.891! K(o=-3.6!,f=-6.7) USER MOD Set 2.1: A 32 MET CE :methyl -126:sc= -0.54 (180deg=-2.13!) USER MOD Set 2.2: A 36 GLN : amide:sc= -1.07! C(o=-1.6!,f=-4.2!) USER MOD Single : A 12 GLN : amide:sc= -0.0246 X(o=-0.025,f=-0.38) USER MOD Single : A 14 HIS : no HE2:sc= -4.41! C(o=-4.3!,f=-12!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 26 ASN : amide:sc= 1.09 K(o=1.1,f=-0.048) USER MOD Single : A 28 MET CE :methyl -107:sc= -2.56 (180deg=-3.68!) USER MOD Single : A 30 SER OG : rot 80:sc= 0.968 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= 0.895 K(o=0.89,f=-5.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 102:sc= 1.24 USER MOD Single : A 54 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-5!) USER MOD Single : A 56 GLN : amide:sc= 1.11 K(o=1.1,f=-0.063) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -172:sc= -1.25 USER MOD Single : A 60 THR OG1 : rot 43:sc= -0.675 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 61:sc= 1.19 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.722 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 119:sc= -1.98! USER MOD Single : A 101 GLN : amide:sc= -0.0918 X(o=-0.092,f=-0.33) USER MOD Single : A 104 ASN : amide:sc= -0.19 K(o=-0.19,f=-3.8!) USER MOD Single : A 105 SER OG : rot 94:sc= 1.3 USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= 1.3 (180deg=1.27) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.62) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.39) USER MOD Single : A 126 SER OG : rot -101:sc= 1.43 USER MOD Single : A 127 LYS NZ :NH3+ -149:sc= 1.19 (180deg=-0.0289) USER MOD Single : A 128 GLN : amide:sc= -0.0698 K(o=-0.07,f=-1.6!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N GLU A 8 -17.982 -6.130 3.731 1.00 0.00 N ATOM 109 CA GLU A 8 -17.706 -7.234 2.824 1.00 0.00 C ATOM 110 C GLU A 8 -17.301 -6.707 1.454 1.00 0.00 C ATOM 111 O GLU A 8 -16.407 -7.254 0.801 1.00 0.00 O ATOM 112 CB GLU A 8 -18.932 -8.135 2.690 1.00 0.00 C ATOM 113 CG GLU A 8 -18.657 -9.429 1.943 1.00 0.00 C ATOM 114 CD GLU A 8 -19.730 -9.756 0.927 1.00 0.00 C ATOM 115 OE1 GLU A 8 -20.655 -8.935 0.745 1.00 0.00 O ATOM 116 OE2 GLU A 8 -19.657 -10.837 0.310 1.00 0.00 O ATOM 0 HA GLU A 8 -16.883 -7.817 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.308 -8.373 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -19.720 -7.587 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.694 -9.354 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.579 -10.247 2.659 1.00 0.00 H new ATOM 123 N ALA A 9 -17.946 -5.623 1.035 1.00 0.00 N ATOM 124 CA ALA A 9 -17.682 -5.037 -0.268 1.00 0.00 C ATOM 125 C ALA A 9 -16.302 -4.404 -0.288 1.00 0.00 C ATOM 126 O ALA A 9 -15.551 -4.544 -1.254 1.00 0.00 O ATOM 127 CB ALA A 9 -18.751 -4.010 -0.621 1.00 0.00 C ATOM 0 H ALA A 9 -18.655 -5.135 1.582 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.711 -5.828 -1.018 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.536 -3.583 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.727 -4.494 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.756 -3.218 0.128 1.00 0.00 H new ATOM 133 N ILE A 10 -15.958 -3.735 0.801 1.00 0.00 N ATOM 134 CA ILE A 10 -14.667 -3.082 0.904 1.00 0.00 C ATOM 135 C ILE A 10 -13.559 -4.100 1.170 1.00 0.00 C ATOM 136 O ILE A 10 -12.380 -3.805 0.996 1.00 0.00 O ATOM 137 CB ILE A 10 -14.654 -1.994 1.994 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.800 -2.613 3.379 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.747 -0.967 1.741 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.526 -2.562 4.188 1.00 0.00 C ATOM 0 H ILE A 10 -16.554 -3.631 1.622 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.482 -2.597 -0.055 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.692 -1.483 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.589 -2.092 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.116 -3.651 3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.720 -0.207 2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.586 -0.496 0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.719 -1.461 1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.696 -3.018 5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.740 -3.107 3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.221 -1.524 4.321 1.00 0.00 H new ATOM 152 N ASP A 11 -13.944 -5.298 1.596 1.00 0.00 N ATOM 153 CA ASP A 11 -12.988 -6.386 1.761 1.00 0.00 C ATOM 154 C ASP A 11 -12.611 -6.943 0.400 1.00 0.00 C ATOM 155 O ASP A 11 -11.528 -7.486 0.223 1.00 0.00 O ATOM 156 CB ASP A 11 -13.555 -7.495 2.649 1.00 0.00 C ATOM 157 CG ASP A 11 -12.480 -8.178 3.473 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.571 -7.479 3.973 1.00 0.00 O ATOM 159 OD2 ASP A 11 -12.533 -9.417 3.627 1.00 0.00 O ATOM 0 H ASP A 11 -14.906 -5.539 1.832 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.098 -5.991 2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.308 -7.075 3.315 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.058 -8.235 2.026 1.00 0.00 H new ATOM 164 N GLN A 12 -13.499 -6.776 -0.568 1.00 0.00 N ATOM 165 CA GLN A 12 -13.213 -7.182 -1.929 1.00 0.00 C ATOM 166 C GLN A 12 -12.212 -6.227 -2.564 1.00 0.00 C ATOM 167 O GLN A 12 -11.311 -6.650 -3.286 1.00 0.00 O ATOM 168 CB GLN A 12 -14.503 -7.237 -2.747 1.00 0.00 C ATOM 169 CG GLN A 12 -15.479 -8.294 -2.262 1.00 0.00 C ATOM 170 CD GLN A 12 -14.779 -9.500 -1.666 1.00 0.00 C ATOM 171 OE1 GLN A 12 -14.233 -10.339 -2.383 1.00 0.00 O ATOM 172 NE2 GLN A 12 -14.788 -9.590 -0.350 1.00 0.00 N ATOM 0 H GLN A 12 -14.422 -6.362 -0.433 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.774 -8.179 -1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.988 -6.262 -2.713 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.255 -7.433 -3.790 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.142 -7.857 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.105 -8.616 -3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.252 -8.873 0.207 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.331 -10.377 0.111 1.00 0.00 H new ATOM 181 N LEU A 13 -12.350 -4.937 -2.280 1.00 0.00 N ATOM 182 CA LEU A 13 -11.386 -3.960 -2.770 1.00 0.00 C ATOM 183 C LEU A 13 -10.173 -3.908 -1.845 1.00 0.00 C ATOM 184 O LEU A 13 -9.177 -3.249 -2.142 1.00 0.00 O ATOM 185 CB LEU A 13 -12.013 -2.568 -2.935 1.00 0.00 C ATOM 186 CG LEU A 13 -12.790 -2.033 -1.733 1.00 0.00 C ATOM 187 CD1 LEU A 13 -12.009 -0.932 -1.039 1.00 0.00 C ATOM 188 CD2 LEU A 13 -14.151 -1.516 -2.172 1.00 0.00 C ATOM 0 H LEU A 13 -13.109 -4.547 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.060 -4.280 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.219 -1.860 -3.173 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -12.684 -2.594 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.936 -2.850 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.579 -0.564 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.053 -1.326 -0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.834 -0.114 -1.738 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.693 -1.138 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -14.019 -0.712 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.718 -2.327 -2.630 1.00 0.00 H new ATOM 200 N HIS A 14 -10.256 -4.626 -0.723 1.00 0.00 N ATOM 201 CA HIS A 14 -9.111 -4.800 0.163 1.00 0.00 C ATOM 202 C HIS A 14 -8.023 -5.561 -0.573 1.00 0.00 C ATOM 203 O HIS A 14 -6.838 -5.445 -0.258 1.00 0.00 O ATOM 204 CB HIS A 14 -9.499 -5.584 1.420 1.00 0.00 C ATOM 205 CG HIS A 14 -9.760 -4.737 2.626 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.408 -5.204 3.747 1.00 0.00 N ATOM 207 CD2 HIS A 14 -9.444 -3.449 2.892 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.480 -4.247 4.647 1.00 0.00 C ATOM 209 NE2 HIS A 14 -9.903 -3.164 4.158 1.00 0.00 N ATOM 0 H HIS A 14 -11.106 -5.095 -0.409 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.756 -3.814 0.463 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.391 -6.172 1.205 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.701 -6.289 1.653 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.776 -6.148 3.862 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.926 -2.769 2.232 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -10.935 -4.333 5.623 1.00 0.00 H new ATOM 218 N LEU A 15 -8.449 -6.344 -1.554 1.00 0.00 N ATOM 219 CA LEU A 15 -7.542 -7.138 -2.354 1.00 0.00 C ATOM 220 C LEU A 15 -6.620 -6.250 -3.174 1.00 0.00 C ATOM 221 O LEU A 15 -5.474 -6.604 -3.417 1.00 0.00 O ATOM 222 CB LEU A 15 -8.327 -8.068 -3.281 1.00 0.00 C ATOM 223 CG LEU A 15 -8.696 -9.424 -2.684 1.00 0.00 C ATOM 224 CD1 LEU A 15 -7.561 -9.977 -1.842 1.00 0.00 C ATOM 225 CD2 LEU A 15 -9.983 -9.323 -1.887 1.00 0.00 C ATOM 0 H LEU A 15 -9.431 -6.443 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.933 -7.738 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.243 -7.562 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.740 -8.235 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.864 -10.125 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.851 -10.943 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.674 -10.100 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.342 -9.286 -1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.230 -10.299 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.854 -8.604 -1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.791 -8.993 -2.540 1.00 0.00 H new ATOM 237 N GLU A 16 -7.120 -5.087 -3.584 1.00 0.00 N ATOM 238 CA GLU A 16 -6.329 -4.154 -4.374 1.00 0.00 C ATOM 239 C GLU A 16 -5.157 -3.632 -3.560 1.00 0.00 C ATOM 240 O GLU A 16 -4.070 -3.402 -4.091 1.00 0.00 O ATOM 241 CB GLU A 16 -7.196 -2.990 -4.858 1.00 0.00 C ATOM 242 CG GLU A 16 -8.150 -3.364 -5.982 1.00 0.00 C ATOM 243 CD GLU A 16 -7.539 -4.312 -6.992 1.00 0.00 C ATOM 244 OE1 GLU A 16 -6.371 -4.109 -7.386 1.00 0.00 O ATOM 245 OE2 GLU A 16 -8.232 -5.269 -7.403 1.00 0.00 O ATOM 0 H GLU A 16 -8.068 -4.771 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.942 -4.684 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.773 -2.604 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.548 -2.182 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.042 -3.823 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.472 -2.457 -6.493 1.00 0.00 H new ATOM 252 N TYR A 17 -5.377 -3.468 -2.264 1.00 0.00 N ATOM 253 CA TYR A 17 -4.311 -3.066 -1.366 1.00 0.00 C ATOM 254 C TYR A 17 -3.262 -4.169 -1.329 1.00 0.00 C ATOM 255 O TYR A 17 -2.076 -3.918 -1.514 1.00 0.00 O ATOM 256 CB TYR A 17 -4.855 -2.789 0.041 1.00 0.00 C ATOM 257 CG TYR A 17 -3.947 -1.928 0.904 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.624 -2.286 1.138 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.421 -0.763 1.493 1.00 0.00 C ATOM 260 CE1 TYR A 17 -1.799 -1.511 1.931 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.602 0.022 2.286 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.294 -0.359 2.504 1.00 0.00 C ATOM 263 OH TYR A 17 -1.480 0.414 3.299 1.00 0.00 O ATOM 0 H TYR A 17 -6.282 -3.607 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.860 -2.142 -1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.825 -2.299 -0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.023 -3.740 0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.233 -3.188 0.691 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.446 -0.465 1.330 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.774 -1.806 2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.985 0.928 2.732 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.982 1.191 3.624 1.00 0.00 H new ATOM 273 N ALA A 18 -3.725 -5.400 -1.150 1.00 0.00 N ATOM 274 CA ALA A 18 -2.836 -6.548 -1.054 1.00 0.00 C ATOM 275 C ALA A 18 -2.185 -6.876 -2.399 1.00 0.00 C ATOM 276 O ALA A 18 -1.188 -7.592 -2.448 1.00 0.00 O ATOM 277 CB ALA A 18 -3.596 -7.756 -0.517 1.00 0.00 C ATOM 0 H ALA A 18 -4.716 -5.628 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.035 -6.293 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.921 -8.610 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.992 -7.527 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.419 -7.997 -1.190 1.00 0.00 H new ATOM 283 N LYS A 19 -2.751 -6.361 -3.487 1.00 0.00 N ATOM 284 CA LYS A 19 -2.205 -6.610 -4.814 1.00 0.00 C ATOM 285 C LYS A 19 -1.212 -5.528 -5.229 1.00 0.00 C ATOM 286 O LYS A 19 -0.305 -5.786 -6.018 1.00 0.00 O ATOM 287 CB LYS A 19 -3.333 -6.696 -5.845 1.00 0.00 C ATOM 288 CG LYS A 19 -3.545 -8.098 -6.395 1.00 0.00 C ATOM 289 CD LYS A 19 -4.706 -8.793 -5.704 1.00 0.00 C ATOM 290 CE LYS A 19 -5.962 -8.762 -6.556 1.00 0.00 C ATOM 291 NZ LYS A 19 -6.251 -10.087 -7.165 1.00 0.00 N ATOM 0 H LYS A 19 -3.583 -5.772 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.673 -7.560 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.260 -6.349 -5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.112 -6.020 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.736 -8.045 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.636 -8.684 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.436 -9.827 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.903 -8.310 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.809 -8.451 -5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.848 -8.017 -7.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.116 -10.024 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.454 -10.372 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.385 -10.793 -6.413 1.00 0.00 H new ATOM 305 N ARG A 20 -1.379 -4.320 -4.703 1.00 0.00 N ATOM 306 CA ARG A 20 -0.521 -3.206 -5.097 1.00 0.00 C ATOM 307 C ARG A 20 0.538 -2.908 -4.048 1.00 0.00 C ATOM 308 O ARG A 20 1.657 -2.521 -4.385 1.00 0.00 O ATOM 309 CB ARG A 20 -1.357 -1.959 -5.381 1.00 0.00 C ATOM 310 CG ARG A 20 -2.206 -2.081 -6.635 1.00 0.00 C ATOM 311 CD ARG A 20 -2.208 -0.794 -7.448 1.00 0.00 C ATOM 312 NE ARG A 20 -0.855 -0.325 -7.755 1.00 0.00 N ATOM 313 CZ ARG A 20 -0.144 -0.723 -8.812 1.00 0.00 C ATOM 314 NH1 ARG A 20 -0.618 -1.645 -9.645 1.00 0.00 N ATOM 315 NH2 ARG A 20 1.052 -0.201 -9.033 1.00 0.00 N ATOM 0 H ARG A 20 -2.091 -4.087 -4.011 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.004 -3.500 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.006 -1.763 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.694 -1.100 -5.481 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.829 -2.898 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.229 -2.336 -6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.753 -0.956 -8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.741 -0.020 -6.896 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.428 0.350 -7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.536 -2.058 -9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.063 -1.939 -10.449 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.427 0.503 -8.397 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.599 -0.502 -9.840 1.00 0.00 H new ATOM 329 N ALA A 21 0.201 -3.096 -2.783 1.00 0.00 N ATOM 330 CA ALA A 21 1.164 -2.892 -1.711 1.00 0.00 C ATOM 331 C ALA A 21 2.157 -4.046 -1.669 1.00 0.00 C ATOM 332 O ALA A 21 3.229 -3.930 -1.082 1.00 0.00 O ATOM 333 CB ALA A 21 0.466 -2.741 -0.375 1.00 0.00 C ATOM 0 H ALA A 21 -0.726 -3.388 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 21 1.708 -1.969 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.209 -2.590 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.205 -1.882 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.109 -3.642 -0.161 1.00 0.00 H new ATOM 339 N ALA A 22 1.799 -5.152 -2.318 1.00 0.00 N ATOM 340 CA ALA A 22 2.652 -6.334 -2.330 1.00 0.00 C ATOM 341 C ALA A 22 3.951 -6.070 -3.095 1.00 0.00 C ATOM 342 O ALA A 22 5.033 -6.175 -2.516 1.00 0.00 O ATOM 343 CB ALA A 22 1.913 -7.542 -2.895 1.00 0.00 C ATOM 0 H ALA A 22 0.928 -5.253 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 22 2.917 -6.563 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.575 -8.408 -2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.037 -7.752 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.598 -7.331 -3.917 1.00 0.00 H new ATOM 349 N PRO A 23 3.890 -5.692 -4.393 1.00 0.00 N ATOM 350 CA PRO A 23 5.101 -5.380 -5.158 1.00 0.00 C ATOM 351 C PRO A 23 5.798 -4.139 -4.617 1.00 0.00 C ATOM 352 O PRO A 23 7.014 -4.001 -4.721 1.00 0.00 O ATOM 353 CB PRO A 23 4.592 -5.148 -6.583 1.00 0.00 C ATOM 354 CG PRO A 23 3.161 -4.780 -6.422 1.00 0.00 C ATOM 355 CD PRO A 23 2.674 -5.539 -5.218 1.00 0.00 C ATOM 0 HA PRO A 23 5.842 -6.177 -5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.151 -4.354 -7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.703 -6.044 -7.193 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.048 -3.705 -6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.587 -5.045 -7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.895 -4.992 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.253 -6.505 -5.496 1.00 0.00 H new ATOM 363 N PHE A 24 5.021 -3.251 -4.013 1.00 0.00 N ATOM 364 CA PHE A 24 5.570 -2.064 -3.383 1.00 0.00 C ATOM 365 C PHE A 24 6.446 -2.455 -2.198 1.00 0.00 C ATOM 366 O PHE A 24 7.561 -1.958 -2.046 1.00 0.00 O ATOM 367 CB PHE A 24 4.441 -1.132 -2.931 1.00 0.00 C ATOM 368 CG PHE A 24 4.899 0.246 -2.530 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.148 0.720 -2.899 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.074 1.064 -1.780 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.561 1.984 -2.534 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.482 2.329 -1.411 1.00 0.00 C ATOM 373 CZ PHE A 24 5.728 2.789 -1.785 1.00 0.00 C ATOM 0 H PHE A 24 4.006 -3.333 -3.947 1.00 0.00 H new ATOM 0 HA PHE A 24 6.185 -1.534 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.716 -1.040 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.923 -1.590 -2.088 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.806 0.091 -3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.099 0.708 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.534 2.343 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.826 2.960 -0.829 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.050 3.777 -1.492 1.00 0.00 H new ATOM 383 N ASN A 25 5.956 -3.379 -1.384 1.00 0.00 N ATOM 384 CA ASN A 25 6.702 -3.829 -0.214 1.00 0.00 C ATOM 385 C ASN A 25 7.836 -4.743 -0.637 1.00 0.00 C ATOM 386 O ASN A 25 8.823 -4.916 0.078 1.00 0.00 O ATOM 387 CB ASN A 25 5.781 -4.542 0.780 1.00 0.00 C ATOM 388 CG ASN A 25 6.306 -4.474 2.198 1.00 0.00 C ATOM 389 OD1 ASN A 25 6.425 -3.397 2.783 1.00 0.00 O ATOM 390 ND2 ASN A 25 6.622 -5.626 2.762 1.00 0.00 N ATOM 0 H ASN A 25 5.050 -3.831 -1.510 1.00 0.00 H new ATOM 0 HA ASN A 25 7.122 -2.955 0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.789 -4.092 0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.670 -5.586 0.485 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.980 -5.645 3.717 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.508 -6.496 2.242 1.00 0.00 H new ATOM 397 N ASN A 26 7.695 -5.304 -1.822 1.00 0.00 N ATOM 398 CA ASN A 26 8.748 -6.120 -2.408 1.00 0.00 C ATOM 399 C ASN A 26 9.891 -5.209 -2.818 1.00 0.00 C ATOM 400 O ASN A 26 11.058 -5.483 -2.539 1.00 0.00 O ATOM 401 CB ASN A 26 8.221 -6.895 -3.620 1.00 0.00 C ATOM 402 CG ASN A 26 7.770 -8.299 -3.270 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.455 -9.278 -3.555 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.604 -8.406 -2.663 1.00 0.00 N ATOM 0 H ASN A 26 6.861 -5.211 -2.401 1.00 0.00 H new ATOM 0 HA ASN A 26 9.098 -6.848 -1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.386 -6.349 -4.059 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.002 -6.948 -4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.242 -9.326 -2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.065 -7.569 -2.443 1.00 0.00 H new ATOM 411 N TRP A 27 9.531 -4.097 -3.440 1.00 0.00 N ATOM 412 CA TRP A 27 10.495 -3.086 -3.845 1.00 0.00 C ATOM 413 C TRP A 27 11.176 -2.497 -2.620 1.00 0.00 C ATOM 414 O TRP A 27 12.400 -2.389 -2.572 1.00 0.00 O ATOM 415 CB TRP A 27 9.775 -1.985 -4.634 1.00 0.00 C ATOM 416 CG TRP A 27 10.655 -0.850 -5.062 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.428 -0.788 -6.182 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.838 0.392 -4.377 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.079 0.423 -6.238 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.737 1.162 -5.136 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.329 0.923 -3.191 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.132 2.442 -4.748 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.722 2.188 -2.803 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.618 2.935 -3.579 1.00 0.00 C ATOM 0 H TRP A 27 8.565 -3.870 -3.678 1.00 0.00 H new ATOM 0 HA TRP A 27 11.256 -3.542 -4.479 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.320 -2.429 -5.519 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.964 -1.589 -4.023 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.517 -1.574 -6.918 1.00 0.00 H new ATOM 0 HE1 TRP A 27 12.713 0.722 -6.979 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.639 0.353 -2.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.818 3.023 -5.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.333 2.608 -1.887 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.909 3.921 -3.248 1.00 0.00 H new ATOM 435 N MET A 28 10.365 -2.126 -1.634 1.00 0.00 N ATOM 436 CA MET A 28 10.857 -1.557 -0.383 1.00 0.00 C ATOM 437 C MET A 28 11.971 -2.401 0.216 1.00 0.00 C ATOM 438 O MET A 28 13.061 -1.901 0.474 1.00 0.00 O ATOM 439 CB MET A 28 9.715 -1.433 0.625 1.00 0.00 C ATOM 440 CG MET A 28 8.792 -0.265 0.349 1.00 0.00 C ATOM 441 SD MET A 28 8.305 0.600 1.850 1.00 0.00 S ATOM 442 CE MET A 28 7.531 2.038 1.130 1.00 0.00 C ATOM 0 H MET A 28 9.350 -2.211 -1.679 1.00 0.00 H new ATOM 0 HA MET A 28 11.259 -0.569 -0.608 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.134 -2.355 0.619 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.134 -1.327 1.626 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.288 0.434 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.900 -0.624 -0.165 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.176 2.906 1.268 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.371 1.870 0.065 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.573 2.218 1.617 1.00 0.00 H new ATOM 452 N GLU A 29 11.702 -3.685 0.408 1.00 0.00 N ATOM 453 CA GLU A 29 12.657 -4.571 1.054 1.00 0.00 C ATOM 454 C GLU A 29 13.909 -4.762 0.207 1.00 0.00 C ATOM 455 O GLU A 29 15.026 -4.638 0.708 1.00 0.00 O ATOM 456 CB GLU A 29 12.018 -5.924 1.356 1.00 0.00 C ATOM 457 CG GLU A 29 12.062 -6.297 2.827 1.00 0.00 C ATOM 458 CD GLU A 29 10.718 -6.746 3.355 1.00 0.00 C ATOM 459 OE1 GLU A 29 10.126 -7.675 2.765 1.00 0.00 O ATOM 460 OE2 GLU A 29 10.247 -6.176 4.365 1.00 0.00 O ATOM 0 H GLU A 29 10.831 -4.135 0.126 1.00 0.00 H new ATOM 0 HA GLU A 29 12.953 -4.101 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.980 -5.910 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.527 -6.695 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.790 -7.094 2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.407 -5.440 3.405 1.00 0.00 H new ATOM 467 N SER A 30 13.727 -5.031 -1.084 1.00 0.00 N ATOM 468 CA SER A 30 14.856 -5.315 -1.961 1.00 0.00 C ATOM 469 C SER A 30 15.742 -4.085 -2.143 1.00 0.00 C ATOM 470 O SER A 30 16.943 -4.209 -2.389 1.00 0.00 O ATOM 471 CB SER A 30 14.355 -5.826 -3.313 1.00 0.00 C ATOM 472 OG SER A 30 13.434 -6.889 -3.132 1.00 0.00 O ATOM 0 H SER A 30 12.816 -5.058 -1.541 1.00 0.00 H new ATOM 0 HA SER A 30 15.463 -6.090 -1.494 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.878 -5.014 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.198 -6.166 -3.915 1.00 0.00 H new ATOM 0 HG SER A 30 12.555 -6.524 -2.899 1.00 0.00 H new ATOM 478 N ALA A 31 15.158 -2.900 -2.003 1.00 0.00 N ATOM 479 CA ALA A 31 15.911 -1.662 -2.161 1.00 0.00 C ATOM 480 C ALA A 31 16.493 -1.186 -0.836 1.00 0.00 C ATOM 481 O ALA A 31 17.683 -0.884 -0.746 1.00 0.00 O ATOM 482 CB ALA A 31 15.034 -0.584 -2.768 1.00 0.00 C ATOM 0 H ALA A 31 14.171 -2.771 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 31 16.743 -1.865 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.611 0.334 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.680 -0.911 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.180 -0.399 -2.116 1.00 0.00 H new ATOM 488 N MET A 32 15.656 -1.131 0.195 1.00 0.00 N ATOM 489 CA MET A 32 16.075 -0.626 1.501 1.00 0.00 C ATOM 490 C MET A 32 17.188 -1.481 2.090 1.00 0.00 C ATOM 491 O MET A 32 18.095 -0.967 2.739 1.00 0.00 O ATOM 492 CB MET A 32 14.893 -0.579 2.470 1.00 0.00 C ATOM 493 CG MET A 32 15.121 0.326 3.671 1.00 0.00 C ATOM 494 SD MET A 32 14.428 -0.346 5.196 1.00 0.00 S ATOM 495 CE MET A 32 14.681 1.026 6.317 1.00 0.00 C ATOM 0 H MET A 32 14.682 -1.430 0.153 1.00 0.00 H new ATOM 0 HA MET A 32 16.454 0.385 1.354 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.008 -0.238 1.933 1.00 0.00 H new ATOM 0 HB3 MET A 32 14.683 -1.589 2.822 1.00 0.00 H new ATOM 0 HG2 MET A 32 16.191 0.484 3.803 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.676 1.302 3.474 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.226 0.682 7.196 1.00 0.00 H new ATOM 0 HE2 MET A 32 15.256 1.804 5.815 1.00 0.00 H new ATOM 0 HE3 MET A 32 13.715 1.429 6.623 1.00 0.00 H new ATOM 505 N GLU A 33 17.129 -2.783 1.842 1.00 0.00 N ATOM 506 CA GLU A 33 18.125 -3.696 2.376 1.00 0.00 C ATOM 507 C GLU A 33 19.438 -3.542 1.626 1.00 0.00 C ATOM 508 O GLU A 33 20.507 -3.655 2.213 1.00 0.00 O ATOM 509 CB GLU A 33 17.629 -5.142 2.298 1.00 0.00 C ATOM 510 CG GLU A 33 17.029 -5.651 3.603 1.00 0.00 C ATOM 511 CD GLU A 33 17.457 -4.837 4.810 1.00 0.00 C ATOM 512 OE1 GLU A 33 18.506 -5.155 5.407 1.00 0.00 O ATOM 513 OE2 GLU A 33 16.743 -3.878 5.171 1.00 0.00 O ATOM 0 H GLU A 33 16.405 -3.227 1.277 1.00 0.00 H new ATOM 0 HA GLU A 33 18.293 -3.449 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.881 -5.219 1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.460 -5.788 2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 33 15.942 -5.634 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 33 17.322 -6.690 3.750 1.00 0.00 H new ATOM 520 N ASP A 34 19.347 -3.253 0.332 1.00 0.00 N ATOM 521 CA ASP A 34 20.540 -3.003 -0.469 1.00 0.00 C ATOM 522 C ASP A 34 21.192 -1.705 -0.018 1.00 0.00 C ATOM 523 O ASP A 34 22.413 -1.600 0.068 1.00 0.00 O ATOM 524 CB ASP A 34 20.195 -2.923 -1.960 1.00 0.00 C ATOM 525 CG ASP A 34 21.414 -3.075 -2.851 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.228 -2.131 -2.928 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.562 -4.146 -3.479 1.00 0.00 O ATOM 0 H ASP A 34 18.468 -3.186 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 34 21.233 -3.832 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.472 -3.701 -2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.715 -1.966 -2.167 1.00 0.00 H new ATOM 532 N LEU A 35 20.356 -0.723 0.293 1.00 0.00 N ATOM 533 CA LEU A 35 20.833 0.575 0.749 1.00 0.00 C ATOM 534 C LEU A 35 21.409 0.473 2.158 1.00 0.00 C ATOM 535 O LEU A 35 22.341 1.192 2.510 1.00 0.00 O ATOM 536 CB LEU A 35 19.693 1.596 0.721 1.00 0.00 C ATOM 537 CG LEU A 35 19.730 2.587 -0.446 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.583 1.861 -1.775 1.00 0.00 C ATOM 539 CD2 LEU A 35 18.636 3.633 -0.287 1.00 0.00 C ATOM 0 H LEU A 35 19.341 -0.802 0.237 1.00 0.00 H new ATOM 0 HA LEU A 35 21.623 0.906 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.746 1.058 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.708 2.159 1.654 1.00 0.00 H new ATOM 0 HG LEU A 35 20.697 3.090 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.612 2.584 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.400 1.149 -1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 35 18.632 1.329 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.675 4.330 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.663 3.142 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 35 18.785 4.177 0.646 1.00 0.00 H new ATOM 551 N GLN A 36 20.838 -0.426 2.951 1.00 0.00 N ATOM 552 CA GLN A 36 21.284 -0.646 4.320 1.00 0.00 C ATOM 553 C GLN A 36 22.567 -1.463 4.355 1.00 0.00 C ATOM 554 O GLN A 36 23.442 -1.239 5.198 1.00 0.00 O ATOM 555 CB GLN A 36 20.201 -1.375 5.109 1.00 0.00 C ATOM 556 CG GLN A 36 19.843 -0.692 6.413 1.00 0.00 C ATOM 557 CD GLN A 36 18.381 -0.303 6.486 1.00 0.00 C ATOM 558 OE1 GLN A 36 18.017 0.670 7.145 1.00 0.00 O ATOM 559 NE2 GLN A 36 17.528 -1.062 5.815 1.00 0.00 N ATOM 0 H GLN A 36 20.059 -1.019 2.665 1.00 0.00 H new ATOM 0 HA GLN A 36 21.479 0.327 4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.306 -1.457 4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.537 -2.390 5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.080 -1.357 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.459 0.200 6.533 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.868 -1.861 5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 36 16.531 -0.848 5.834 1.00 0.00 H new ATOM 568 N ASP A 37 22.662 -2.418 3.442 1.00 0.00 N ATOM 569 CA ASP A 37 23.816 -3.307 3.368 1.00 0.00 C ATOM 570 C ASP A 37 25.050 -2.568 2.877 1.00 0.00 C ATOM 571 O ASP A 37 24.965 -1.445 2.377 1.00 0.00 O ATOM 572 CB ASP A 37 23.523 -4.499 2.457 1.00 0.00 C ATOM 573 CG ASP A 37 23.927 -5.811 3.094 1.00 0.00 C ATOM 574 OD1 ASP A 37 23.097 -6.409 3.813 1.00 0.00 O ATOM 575 OD2 ASP A 37 25.082 -6.247 2.897 1.00 0.00 O ATOM 0 H ASP A 37 21.949 -2.599 2.736 1.00 0.00 H new ATOM 0 HA ASP A 37 24.014 -3.673 4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.459 -4.523 2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.055 -4.374 1.514 1.00 0.00 H new ATOM 580 N MET A 38 26.197 -3.206 3.022 1.00 0.00 N ATOM 581 CA MET A 38 27.456 -2.605 2.619 1.00 0.00 C ATOM 582 C MET A 38 27.842 -3.078 1.229 1.00 0.00 C ATOM 583 O MET A 38 27.709 -4.259 0.907 1.00 0.00 O ATOM 584 CB MET A 38 28.561 -2.948 3.617 1.00 0.00 C ATOM 585 CG MET A 38 29.700 -1.944 3.625 1.00 0.00 C ATOM 586 SD MET A 38 29.140 -0.251 3.347 1.00 0.00 S ATOM 587 CE MET A 38 30.192 0.642 4.491 1.00 0.00 C ATOM 0 H MET A 38 26.283 -4.143 3.417 1.00 0.00 H new ATOM 0 HA MET A 38 27.330 -1.522 2.602 1.00 0.00 H new ATOM 0 HB2 MET A 38 28.132 -3.007 4.617 1.00 0.00 H new ATOM 0 HB3 MET A 38 28.959 -3.935 3.382 1.00 0.00 H new ATOM 0 HG2 MET A 38 30.219 -1.998 4.582 1.00 0.00 H new ATOM 0 HG3 MET A 38 30.422 -2.214 2.855 1.00 0.00 H new ATOM 0 HE1 MET A 38 29.966 1.707 4.437 1.00 0.00 H new ATOM 0 HE2 MET A 38 30.013 0.284 5.505 1.00 0.00 H new ATOM 0 HE3 MET A 38 31.237 0.479 4.227 1.00 0.00 H new ATOM 597 N PHE A 39 28.316 -2.157 0.413 1.00 0.00 N ATOM 598 CA PHE A 39 28.721 -2.481 -0.942 1.00 0.00 C ATOM 599 C PHE A 39 30.239 -2.602 -1.025 1.00 0.00 C ATOM 600 O PHE A 39 30.974 -1.738 -0.537 1.00 0.00 O ATOM 601 CB PHE A 39 28.199 -1.426 -1.933 1.00 0.00 C ATOM 602 CG PHE A 39 28.777 -0.048 -1.749 1.00 0.00 C ATOM 603 CD1 PHE A 39 28.287 0.801 -0.769 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.806 0.401 -2.561 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.815 2.067 -0.604 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.337 1.665 -2.399 1.00 0.00 C ATOM 607 CZ PHE A 39 29.842 2.499 -1.419 1.00 0.00 C ATOM 0 H PHE A 39 28.431 -1.175 0.665 1.00 0.00 H new ATOM 0 HA PHE A 39 28.284 -3.442 -1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.414 -1.763 -2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 39 27.115 -1.366 -1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.484 0.469 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 39 30.198 -0.247 -3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 39 28.424 2.719 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 39 31.139 2.000 -3.039 1.00 0.00 H new ATOM 0 HZ PHE A 39 30.257 3.488 -1.289 1.00 0.00 H new ATOM 617 N ILE A 40 30.703 -3.691 -1.607 1.00 0.00 N ATOM 618 CA ILE A 40 32.121 -3.895 -1.817 1.00 0.00 C ATOM 619 C ILE A 40 32.488 -3.553 -3.258 1.00 0.00 C ATOM 620 O ILE A 40 31.828 -3.988 -4.205 1.00 0.00 O ATOM 621 CB ILE A 40 32.555 -5.335 -1.451 1.00 0.00 C ATOM 622 CG1 ILE A 40 34.035 -5.361 -1.078 1.00 0.00 C ATOM 623 CG2 ILE A 40 32.275 -6.313 -2.582 1.00 0.00 C ATOM 624 CD1 ILE A 40 34.292 -5.085 0.385 1.00 0.00 C ATOM 0 H ILE A 40 30.113 -4.452 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 40 32.664 -3.225 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 40 31.965 -5.651 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 40 34.449 -6.336 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 40 34.566 -4.622 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.594 -7.312 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 40 31.207 -6.322 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 40 32.824 -6.006 -3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 40 35.364 -5.119 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 40 33.908 -4.098 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 40 33.789 -5.839 0.991 1.00 0.00 H new ATOM 636 N VAL A 41 33.502 -2.723 -3.418 1.00 0.00 N ATOM 637 CA VAL A 41 33.948 -2.321 -4.741 1.00 0.00 C ATOM 638 C VAL A 41 35.439 -2.572 -4.914 1.00 0.00 C ATOM 639 O VAL A 41 36.238 -2.330 -4.006 1.00 0.00 O ATOM 640 CB VAL A 41 33.637 -0.835 -5.045 1.00 0.00 C ATOM 641 CG1 VAL A 41 32.142 -0.580 -5.015 1.00 0.00 C ATOM 642 CG2 VAL A 41 34.363 0.092 -4.081 1.00 0.00 C ATOM 0 H VAL A 41 34.033 -2.314 -2.649 1.00 0.00 H new ATOM 0 HA VAL A 41 33.391 -2.933 -5.450 1.00 0.00 H new ATOM 0 HB VAL A 41 34.001 -0.619 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.948 0.470 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.652 -1.202 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 41 31.751 -0.825 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 41 34.123 1.128 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 41 34.048 -0.125 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 41 35.439 -0.061 -4.169 1.00 0.00 H new ATOM 652 N HIS A 42 35.795 -3.078 -6.075 1.00 0.00 N ATOM 653 CA HIS A 42 37.182 -3.319 -6.436 1.00 0.00 C ATOM 654 C HIS A 42 37.537 -2.464 -7.641 1.00 0.00 C ATOM 655 O HIS A 42 38.614 -1.870 -7.708 1.00 0.00 O ATOM 656 CB HIS A 42 37.424 -4.800 -6.776 1.00 0.00 C ATOM 657 CG HIS A 42 36.657 -5.768 -5.926 1.00 0.00 C ATOM 658 ND1 HIS A 42 35.369 -6.168 -6.212 1.00 0.00 N ATOM 659 CD2 HIS A 42 37.004 -6.418 -4.792 1.00 0.00 C ATOM 660 CE1 HIS A 42 34.961 -7.018 -5.293 1.00 0.00 C ATOM 661 NE2 HIS A 42 35.935 -7.192 -4.417 1.00 0.00 N ATOM 0 H HIS A 42 35.128 -3.337 -6.802 1.00 0.00 H new ATOM 0 HA HIS A 42 37.809 -3.058 -5.584 1.00 0.00 H new ATOM 0 HB2 HIS A 42 37.162 -4.967 -7.821 1.00 0.00 H new ATOM 0 HB3 HIS A 42 38.488 -5.013 -6.676 1.00 0.00 H new ATOM 0 HD1 HIS A 42 34.818 -5.854 -7.011 1.00 0.00 H new ATOM 0 HD2 HIS A 42 37.950 -6.342 -4.276 1.00 0.00 H new ATOM 0 HE1 HIS A 42 33.992 -7.494 -5.261 1.00 0.00 H new ATOM 670 N THR A 43 36.608 -2.390 -8.584 1.00 0.00 N ATOM 671 CA THR A 43 36.822 -1.646 -9.807 1.00 0.00 C ATOM 672 C THR A 43 35.748 -0.582 -9.980 1.00 0.00 C ATOM 673 O THR A 43 34.712 -0.619 -9.312 1.00 0.00 O ATOM 674 CB THR A 43 36.812 -2.581 -11.032 1.00 0.00 C ATOM 675 OG1 THR A 43 35.725 -3.507 -10.933 1.00 0.00 O ATOM 676 CG2 THR A 43 38.123 -3.344 -11.144 1.00 0.00 C ATOM 0 H THR A 43 35.695 -2.841 -8.520 1.00 0.00 H new ATOM 0 HA THR A 43 37.799 -1.167 -9.735 1.00 0.00 H new ATOM 0 HB THR A 43 36.689 -1.969 -11.925 1.00 0.00 H new ATOM 0 HG1 THR A 43 35.725 -4.096 -11.716 1.00 0.00 H new ATOM 0 HG21 THR A 43 38.091 -3.997 -12.016 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.947 -2.638 -11.249 1.00 0.00 H new ATOM 0 HG23 THR A 43 38.272 -3.945 -10.247 1.00 0.00 H new ATOM 684 N ILE A 44 35.993 0.360 -10.877 1.00 0.00 N ATOM 685 CA ILE A 44 35.037 1.417 -11.144 1.00 0.00 C ATOM 686 C ILE A 44 33.775 0.843 -11.790 1.00 0.00 C ATOM 687 O ILE A 44 32.680 1.360 -11.594 1.00 0.00 O ATOM 688 CB ILE A 44 35.664 2.525 -12.031 1.00 0.00 C ATOM 689 CG1 ILE A 44 34.573 3.369 -12.716 1.00 0.00 C ATOM 690 CG2 ILE A 44 36.635 1.927 -13.046 1.00 0.00 C ATOM 691 CD1 ILE A 44 34.394 3.107 -14.199 1.00 0.00 C ATOM 0 H ILE A 44 36.847 0.412 -11.432 1.00 0.00 H new ATOM 0 HA ILE A 44 34.758 1.874 -10.195 1.00 0.00 H new ATOM 0 HB ILE A 44 36.235 3.193 -11.386 1.00 0.00 H new ATOM 0 HG12 ILE A 44 33.624 3.185 -12.213 1.00 0.00 H new ATOM 0 HG13 ILE A 44 34.809 4.424 -12.575 1.00 0.00 H new ATOM 0 HG21 ILE A 44 37.061 2.724 -13.655 1.00 0.00 H new ATOM 0 HG22 ILE A 44 37.435 1.405 -12.521 1.00 0.00 H new ATOM 0 HG23 ILE A 44 36.104 1.224 -13.688 1.00 0.00 H new ATOM 0 HD11 ILE A 44 33.604 3.749 -14.589 1.00 0.00 H new ATOM 0 HD12 ILE A 44 35.326 3.321 -14.721 1.00 0.00 H new ATOM 0 HD13 ILE A 44 34.123 2.063 -14.354 1.00 0.00 H new ATOM 703 N GLU A 45 33.945 -0.240 -12.543 1.00 0.00 N ATOM 704 CA GLU A 45 32.833 -0.949 -13.170 1.00 0.00 C ATOM 705 C GLU A 45 31.704 -1.229 -12.173 1.00 0.00 C ATOM 706 O GLU A 45 30.532 -0.978 -12.463 1.00 0.00 O ATOM 707 CB GLU A 45 33.307 -2.274 -13.782 1.00 0.00 C ATOM 708 CG GLU A 45 34.793 -2.345 -14.105 1.00 0.00 C ATOM 709 CD GLU A 45 35.189 -1.406 -15.224 1.00 0.00 C ATOM 710 OE1 GLU A 45 34.822 -1.672 -16.386 1.00 0.00 O ATOM 711 OE2 GLU A 45 35.870 -0.401 -14.949 1.00 0.00 O ATOM 0 H GLU A 45 34.858 -0.651 -12.736 1.00 0.00 H new ATOM 0 HA GLU A 45 32.448 -0.301 -13.957 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.063 -3.082 -13.092 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.744 -2.455 -14.697 1.00 0.00 H new ATOM 0 HG2 GLU A 45 35.368 -2.102 -13.211 1.00 0.00 H new ATOM 0 HG3 GLU A 45 35.053 -3.366 -14.383 1.00 0.00 H new ATOM 718 N GLU A 46 32.056 -1.746 -10.999 1.00 0.00 N ATOM 719 CA GLU A 46 31.061 -2.052 -9.973 1.00 0.00 C ATOM 720 C GLU A 46 30.526 -0.774 -9.345 1.00 0.00 C ATOM 721 O GLU A 46 29.354 -0.695 -8.990 1.00 0.00 O ATOM 722 CB GLU A 46 31.653 -2.961 -8.895 1.00 0.00 C ATOM 723 CG GLU A 46 32.459 -4.124 -9.453 1.00 0.00 C ATOM 724 CD GLU A 46 33.603 -4.512 -8.550 1.00 0.00 C ATOM 725 OE1 GLU A 46 34.283 -3.611 -8.038 1.00 0.00 O ATOM 726 OE2 GLU A 46 33.837 -5.723 -8.351 1.00 0.00 O ATOM 0 H GLU A 46 33.017 -1.961 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 46 30.235 -2.577 -10.453 1.00 0.00 H new ATOM 0 HB2 GLU A 46 32.293 -2.367 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 46 30.844 -3.353 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.803 -4.983 -9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 46 32.849 -3.855 -10.435 1.00 0.00 H new ATOM 733 N ILE A 47 31.385 0.225 -9.239 1.00 0.00 N ATOM 734 CA ILE A 47 31.000 1.514 -8.692 1.00 0.00 C ATOM 735 C ILE A 47 29.997 2.187 -9.626 1.00 0.00 C ATOM 736 O ILE A 47 29.057 2.848 -9.180 1.00 0.00 O ATOM 737 CB ILE A 47 32.246 2.417 -8.461 1.00 0.00 C ATOM 738 CG1 ILE A 47 32.493 2.606 -6.963 1.00 0.00 C ATOM 739 CG2 ILE A 47 32.116 3.774 -9.152 1.00 0.00 C ATOM 740 CD1 ILE A 47 31.298 3.160 -6.213 1.00 0.00 C ATOM 0 H ILE A 47 32.362 0.167 -9.527 1.00 0.00 H new ATOM 0 HA ILE A 47 30.528 1.360 -7.722 1.00 0.00 H new ATOM 0 HB ILE A 47 33.100 1.908 -8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 47 32.772 1.647 -6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 47 33.340 3.278 -6.825 1.00 0.00 H new ATOM 0 HG21 ILE A 47 33.010 4.367 -8.961 1.00 0.00 H new ATOM 0 HG22 ILE A 47 32.002 3.626 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 47 31.243 4.298 -8.763 1.00 0.00 H new ATOM 0 HD11 ILE A 47 31.548 3.267 -5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 47 31.031 4.134 -6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 47 30.454 2.478 -6.319 1.00 0.00 H new ATOM 752 N GLU A 48 30.191 1.968 -10.922 1.00 0.00 N ATOM 753 CA GLU A 48 29.300 2.493 -11.943 1.00 0.00 C ATOM 754 C GLU A 48 27.901 1.923 -11.762 1.00 0.00 C ATOM 755 O GLU A 48 26.907 2.602 -12.010 1.00 0.00 O ATOM 756 CB GLU A 48 29.830 2.145 -13.335 1.00 0.00 C ATOM 757 CG GLU A 48 30.519 3.302 -14.040 1.00 0.00 C ATOM 758 CD GLU A 48 30.309 3.267 -15.539 1.00 0.00 C ATOM 759 OE1 GLU A 48 29.204 2.887 -15.976 1.00 0.00 O ATOM 760 OE2 GLU A 48 31.245 3.611 -16.291 1.00 0.00 O ATOM 0 H GLU A 48 30.970 1.422 -11.291 1.00 0.00 H new ATOM 0 HA GLU A 48 29.255 3.577 -11.843 1.00 0.00 H new ATOM 0 HB2 GLU A 48 30.532 1.316 -13.249 1.00 0.00 H new ATOM 0 HB3 GLU A 48 29.001 1.798 -13.952 1.00 0.00 H new ATOM 0 HG2 GLU A 48 30.140 4.244 -13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 48 31.587 3.272 -13.824 1.00 0.00 H new ATOM 767 N GLY A 49 27.839 0.681 -11.300 1.00 0.00 N ATOM 768 CA GLY A 49 26.556 0.030 -11.092 1.00 0.00 C ATOM 769 C GLY A 49 25.971 0.367 -9.739 1.00 0.00 C ATOM 770 O GLY A 49 24.791 0.705 -9.623 1.00 0.00 O ATOM 0 H GLY A 49 28.652 0.112 -11.065 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.862 0.335 -11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 49 26.678 -1.050 -11.177 1.00 0.00 H new ATOM 774 N LEU A 50 26.816 0.280 -8.719 1.00 0.00 N ATOM 775 CA LEU A 50 26.451 0.630 -7.353 1.00 0.00 C ATOM 776 C LEU A 50 25.817 2.016 -7.283 1.00 0.00 C ATOM 777 O LEU A 50 24.799 2.218 -6.616 1.00 0.00 O ATOM 778 CB LEU A 50 27.699 0.599 -6.466 1.00 0.00 C ATOM 779 CG LEU A 50 27.793 -0.563 -5.477 1.00 0.00 C ATOM 780 CD1 LEU A 50 26.487 -1.345 -5.404 1.00 0.00 C ATOM 781 CD2 LEU A 50 28.944 -1.486 -5.850 1.00 0.00 C ATOM 0 H LEU A 50 27.780 -0.038 -8.818 1.00 0.00 H new ATOM 0 HA LEU A 50 25.720 -0.098 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.577 0.573 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.744 1.532 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 50 27.983 -0.142 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.592 -2.163 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.684 -0.683 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 50 26.250 -1.750 -6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.997 -2.308 -5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 50 28.781 -1.885 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.880 -0.927 -5.830 1.00 0.00 H new ATOM 793 N ILE A 51 26.443 2.971 -7.959 1.00 0.00 N ATOM 794 CA ILE A 51 25.942 4.342 -8.004 1.00 0.00 C ATOM 795 C ILE A 51 24.712 4.453 -8.909 1.00 0.00 C ATOM 796 O ILE A 51 23.814 5.251 -8.642 1.00 0.00 O ATOM 797 CB ILE A 51 27.039 5.325 -8.473 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.203 5.305 -7.482 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.479 6.737 -8.616 1.00 0.00 C ATOM 800 CD1 ILE A 51 29.266 6.339 -7.760 1.00 0.00 C ATOM 0 H ILE A 51 27.303 2.822 -8.487 1.00 0.00 H new ATOM 0 HA ILE A 51 25.649 4.613 -6.990 1.00 0.00 H new ATOM 0 HB ILE A 51 27.399 5.009 -9.452 1.00 0.00 H new ATOM 0 HG12 ILE A 51 27.813 5.462 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 51 28.661 4.316 -7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.270 7.410 -8.947 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.673 6.736 -9.349 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.094 7.075 -7.654 1.00 0.00 H new ATOM 0 HD11 ILE A 51 30.056 6.259 -7.013 1.00 0.00 H new ATOM 0 HD12 ILE A 51 29.686 6.171 -8.752 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.825 7.335 -7.717 1.00 0.00 H new ATOM 812 N SER A 52 24.654 3.636 -9.956 1.00 0.00 N ATOM 813 CA SER A 52 23.498 3.632 -10.855 1.00 0.00 C ATOM 814 C SER A 52 22.239 3.183 -10.115 1.00 0.00 C ATOM 815 O SER A 52 21.121 3.534 -10.493 1.00 0.00 O ATOM 816 CB SER A 52 23.745 2.732 -12.067 1.00 0.00 C ATOM 817 OG SER A 52 24.605 3.367 -12.997 1.00 0.00 O ATOM 0 H SER A 52 25.387 2.971 -10.204 1.00 0.00 H new ATOM 0 HA SER A 52 23.351 4.652 -11.210 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.185 1.789 -11.742 1.00 0.00 H new ATOM 0 HB3 SER A 52 22.796 2.492 -12.547 1.00 0.00 H new ATOM 0 HG SER A 52 25.511 3.004 -12.905 1.00 0.00 H new ATOM 823 N ALA A 53 22.435 2.429 -9.035 1.00 0.00 N ATOM 824 CA ALA A 53 21.334 2.016 -8.174 1.00 0.00 C ATOM 825 C ALA A 53 20.851 3.185 -7.318 1.00 0.00 C ATOM 826 O ALA A 53 19.954 3.050 -6.488 1.00 0.00 O ATOM 827 CB ALA A 53 21.764 0.843 -7.303 1.00 0.00 C ATOM 0 H ALA A 53 23.350 2.092 -8.737 1.00 0.00 H new ATOM 0 HA ALA A 53 20.501 1.694 -8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.935 0.542 -6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.055 0.006 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 53 22.610 1.141 -6.684 1.00 0.00 H new ATOM 833 N HIS A 54 21.485 4.328 -7.507 1.00 0.00 N ATOM 834 CA HIS A 54 21.032 5.576 -6.920 1.00 0.00 C ATOM 835 C HIS A 54 20.603 6.512 -8.035 1.00 0.00 C ATOM 836 O HIS A 54 19.631 7.258 -7.905 1.00 0.00 O ATOM 837 CB HIS A 54 22.140 6.209 -6.086 1.00 0.00 C ATOM 838 CG HIS A 54 21.836 6.226 -4.623 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.906 5.393 -4.035 1.00 0.00 N ATOM 840 CD2 HIS A 54 22.347 6.978 -3.627 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.859 5.638 -2.740 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.725 6.596 -2.464 1.00 0.00 N ATOM 0 H HIS A 54 22.329 4.417 -8.072 1.00 0.00 H new ATOM 0 HA HIS A 54 20.187 5.384 -6.259 1.00 0.00 H new ATOM 0 HB2 HIS A 54 23.068 5.663 -6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.306 7.230 -6.428 1.00 0.00 H new ATOM 0 HD2 HIS A 54 23.106 7.740 -3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 54 20.220 5.139 -2.026 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.903 6.988 -1.539 1.00 0.00 H new ATOM 851 N ASP A 55 21.344 6.437 -9.135 1.00 0.00 N ATOM 852 CA ASP A 55 21.012 7.142 -10.368 1.00 0.00 C ATOM 853 C ASP A 55 19.552 6.923 -10.735 1.00 0.00 C ATOM 854 O ASP A 55 18.773 7.874 -10.813 1.00 0.00 O ATOM 855 CB ASP A 55 21.921 6.634 -11.495 1.00 0.00 C ATOM 856 CG ASP A 55 21.755 7.377 -12.808 1.00 0.00 C ATOM 857 OD1 ASP A 55 20.613 7.552 -13.273 1.00 0.00 O ATOM 858 OD2 ASP A 55 22.787 7.754 -13.407 1.00 0.00 O ATOM 0 H ASP A 55 22.197 5.882 -9.197 1.00 0.00 H new ATOM 0 HA ASP A 55 21.168 8.211 -10.223 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.959 6.714 -11.173 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.719 5.576 -11.661 1.00 0.00 H new ATOM 863 N GLN A 56 19.179 5.668 -10.929 1.00 0.00 N ATOM 864 CA GLN A 56 17.821 5.338 -11.327 1.00 0.00 C ATOM 865 C GLN A 56 16.923 5.165 -10.110 1.00 0.00 C ATOM 866 O GLN A 56 15.738 4.868 -10.237 1.00 0.00 O ATOM 867 CB GLN A 56 17.819 4.079 -12.190 1.00 0.00 C ATOM 868 CG GLN A 56 18.777 4.163 -13.371 1.00 0.00 C ATOM 869 CD GLN A 56 18.217 4.987 -14.515 1.00 0.00 C ATOM 870 OE1 GLN A 56 17.432 4.497 -15.324 1.00 0.00 O ATOM 871 NE2 GLN A 56 18.623 6.247 -14.597 1.00 0.00 N ATOM 0 H GLN A 56 19.796 4.864 -10.818 1.00 0.00 H new ATOM 0 HA GLN A 56 17.422 6.164 -11.917 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.087 3.222 -11.572 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.809 3.901 -12.561 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.719 4.600 -13.040 1.00 0.00 H new ATOM 0 HG3 GLN A 56 18.999 3.157 -13.727 1.00 0.00 H new ATOM 0 HE21 GLN A 56 19.276 6.619 -13.907 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.283 6.844 -15.350 1.00 0.00 H new ATOM 880 N PHE A 57 17.488 5.382 -8.927 1.00 0.00 N ATOM 881 CA PHE A 57 16.708 5.351 -7.702 1.00 0.00 C ATOM 882 C PHE A 57 15.871 6.617 -7.611 1.00 0.00 C ATOM 883 O PHE A 57 14.737 6.600 -7.135 1.00 0.00 O ATOM 884 CB PHE A 57 17.613 5.221 -6.476 1.00 0.00 C ATOM 885 CG PHE A 57 16.934 4.590 -5.295 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.517 3.270 -5.342 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.708 5.321 -4.140 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.890 2.689 -4.256 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.082 4.747 -3.054 1.00 0.00 C ATOM 890 CZ PHE A 57 15.671 3.430 -3.111 1.00 0.00 C ATOM 0 H PHE A 57 18.480 5.580 -8.794 1.00 0.00 H new ATOM 0 HA PHE A 57 16.053 4.480 -7.723 1.00 0.00 H new ATOM 0 HB2 PHE A 57 18.488 4.628 -6.742 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.972 6.210 -6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.684 2.689 -6.237 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.026 6.352 -4.090 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.572 1.658 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 57 15.913 5.327 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.179 2.980 -2.261 1.00 0.00 H new ATOM 900 N LYS A 58 16.446 7.710 -8.102 1.00 0.00 N ATOM 901 CA LYS A 58 15.750 8.980 -8.194 1.00 0.00 C ATOM 902 C LYS A 58 14.588 8.888 -9.167 1.00 0.00 C ATOM 903 O LYS A 58 13.661 9.691 -9.122 1.00 0.00 O ATOM 904 CB LYS A 58 16.717 10.079 -8.645 1.00 0.00 C ATOM 905 CG LYS A 58 17.006 11.123 -7.580 1.00 0.00 C ATOM 906 CD LYS A 58 15.743 11.500 -6.828 1.00 0.00 C ATOM 907 CE LYS A 58 15.726 10.894 -5.437 1.00 0.00 C ATOM 908 NZ LYS A 58 16.516 11.700 -4.469 1.00 0.00 N ATOM 0 H LYS A 58 17.406 7.736 -8.446 1.00 0.00 H new ATOM 0 HA LYS A 58 15.359 9.227 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.656 9.619 -8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.303 10.575 -9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.748 10.738 -6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.436 12.011 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.671 12.585 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.870 11.160 -7.386 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.696 10.816 -5.088 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.127 9.881 -5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.478 11.251 -3.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.505 11.754 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.118 12.659 -4.410 1.00 0.00 H new ATOM 922 N SER A 59 14.645 7.900 -10.037 1.00 0.00 N ATOM 923 CA SER A 59 13.613 7.694 -11.036 1.00 0.00 C ATOM 924 C SER A 59 12.516 6.778 -10.503 1.00 0.00 C ATOM 925 O SER A 59 11.344 6.927 -10.847 1.00 0.00 O ATOM 926 CB SER A 59 14.233 7.104 -12.300 1.00 0.00 C ATOM 927 OG SER A 59 15.631 7.351 -12.334 1.00 0.00 O ATOM 0 H SER A 59 15.404 7.219 -10.073 1.00 0.00 H new ATOM 0 HA SER A 59 13.160 8.656 -11.275 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.047 6.031 -12.336 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.760 7.539 -13.181 1.00 0.00 H new ATOM 0 HG SER A 59 15.990 7.079 -13.204 1.00 0.00 H new ATOM 933 N THR A 60 12.893 5.835 -9.650 1.00 0.00 N ATOM 934 CA THR A 60 11.922 4.914 -9.071 1.00 0.00 C ATOM 935 C THR A 60 11.105 5.585 -7.970 1.00 0.00 C ATOM 936 O THR A 60 9.950 5.228 -7.729 1.00 0.00 O ATOM 937 CB THR A 60 12.612 3.669 -8.487 1.00 0.00 C ATOM 938 OG1 THR A 60 13.959 3.988 -8.119 1.00 0.00 O ATOM 939 CG2 THR A 60 12.611 2.523 -9.486 1.00 0.00 C ATOM 0 H THR A 60 13.855 5.687 -9.345 1.00 0.00 H new ATOM 0 HA THR A 60 11.256 4.613 -9.880 1.00 0.00 H new ATOM 0 HB THR A 60 12.056 3.354 -7.604 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.978 4.858 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.105 1.657 -9.046 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.584 2.264 -9.742 1.00 0.00 H new ATOM 0 HG23 THR A 60 13.144 2.826 -10.387 1.00 0.00 H new ATOM 947 N LEU A 61 11.714 6.566 -7.315 1.00 0.00 N ATOM 948 CA LEU A 61 11.112 7.215 -6.155 1.00 0.00 C ATOM 949 C LEU A 61 9.770 7.890 -6.475 1.00 0.00 C ATOM 950 O LEU A 61 8.787 7.602 -5.812 1.00 0.00 O ATOM 951 CB LEU A 61 12.087 8.223 -5.535 1.00 0.00 C ATOM 952 CG LEU A 61 13.153 7.623 -4.610 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.618 8.654 -3.596 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.621 6.386 -3.901 1.00 0.00 C ATOM 0 H LEU A 61 12.631 6.932 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 61 10.901 6.427 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.589 8.760 -6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.513 8.958 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 61 14.005 7.326 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.374 8.211 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.044 9.511 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.770 8.980 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.395 5.978 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.750 6.655 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.337 5.637 -4.640 1.00 0.00 H new ATOM 966 N PRO A 62 9.688 8.785 -7.489 1.00 0.00 N ATOM 967 CA PRO A 62 8.438 9.492 -7.805 1.00 0.00 C ATOM 968 C PRO A 62 7.284 8.537 -8.098 1.00 0.00 C ATOM 969 O PRO A 62 6.138 8.794 -7.721 1.00 0.00 O ATOM 970 CB PRO A 62 8.775 10.316 -9.054 1.00 0.00 C ATOM 971 CG PRO A 62 10.039 9.734 -9.583 1.00 0.00 C ATOM 972 CD PRO A 62 10.774 9.193 -8.392 1.00 0.00 C ATOM 0 HA PRO A 62 8.104 10.098 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.975 10.255 -9.792 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.901 11.370 -8.807 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.833 8.945 -10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.632 10.490 -10.097 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.413 8.352 -8.660 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.415 9.948 -7.937 1.00 0.00 H new ATOM 980 N ASP A 63 7.596 7.424 -8.743 1.00 0.00 N ATOM 981 CA ASP A 63 6.578 6.446 -9.092 1.00 0.00 C ATOM 982 C ASP A 63 6.138 5.683 -7.854 1.00 0.00 C ATOM 983 O ASP A 63 4.947 5.545 -7.587 1.00 0.00 O ATOM 984 CB ASP A 63 7.096 5.475 -10.151 1.00 0.00 C ATOM 985 CG ASP A 63 6.149 5.348 -11.329 1.00 0.00 C ATOM 986 OD1 ASP A 63 6.183 6.224 -12.221 1.00 0.00 O ATOM 987 OD2 ASP A 63 5.381 4.365 -11.379 1.00 0.00 O ATOM 0 H ASP A 63 8.542 7.176 -9.034 1.00 0.00 H new ATOM 0 HA ASP A 63 5.721 6.978 -9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.070 5.813 -10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.244 4.494 -9.700 1.00 0.00 H new ATOM 992 N ALA A 64 7.112 5.219 -7.077 1.00 0.00 N ATOM 993 CA ALA A 64 6.830 4.486 -5.852 1.00 0.00 C ATOM 994 C ALA A 64 6.189 5.399 -4.804 1.00 0.00 C ATOM 995 O ALA A 64 5.407 4.952 -3.968 1.00 0.00 O ATOM 996 CB ALA A 64 8.105 3.851 -5.315 1.00 0.00 C ATOM 0 H ALA A 64 8.105 5.339 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 64 6.118 3.692 -6.079 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.882 3.305 -4.398 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.509 3.163 -6.057 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.838 4.629 -5.104 1.00 0.00 H new ATOM 1002 N ASP A 65 6.523 6.683 -4.857 1.00 0.00 N ATOM 1003 CA ASP A 65 5.905 7.672 -3.982 1.00 0.00 C ATOM 1004 C ASP A 65 4.422 7.785 -4.310 1.00 0.00 C ATOM 1005 O ASP A 65 3.578 7.831 -3.419 1.00 0.00 O ATOM 1006 CB ASP A 65 6.599 9.036 -4.126 1.00 0.00 C ATOM 1007 CG ASP A 65 5.715 10.209 -3.732 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.167 10.200 -2.611 1.00 0.00 O ATOM 1009 OD2 ASP A 65 5.580 11.156 -4.538 1.00 0.00 O ATOM 0 H ASP A 65 7.219 7.064 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 65 6.017 7.350 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.498 9.045 -3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.921 9.164 -5.160 1.00 0.00 H new ATOM 1014 N ARG A 66 4.104 7.785 -5.596 1.00 0.00 N ATOM 1015 CA ARG A 66 2.717 7.815 -6.028 1.00 0.00 C ATOM 1016 C ARG A 66 2.000 6.542 -5.586 1.00 0.00 C ATOM 1017 O ARG A 66 0.811 6.558 -5.291 1.00 0.00 O ATOM 1018 CB ARG A 66 2.625 7.971 -7.543 1.00 0.00 C ATOM 1019 CG ARG A 66 1.763 9.143 -7.970 1.00 0.00 C ATOM 1020 CD ARG A 66 2.560 10.153 -8.780 1.00 0.00 C ATOM 1021 NE ARG A 66 1.855 11.428 -8.912 1.00 0.00 N ATOM 1022 CZ ARG A 66 0.997 11.711 -9.893 1.00 0.00 C ATOM 1023 NH1 ARG A 66 0.683 10.791 -10.799 1.00 0.00 N ATOM 1024 NH2 ARG A 66 0.429 12.910 -9.958 1.00 0.00 N ATOM 0 H ARG A 66 4.785 7.765 -6.355 1.00 0.00 H new ATOM 0 HA ARG A 66 2.232 8.674 -5.564 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.628 8.098 -7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.220 7.055 -7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.923 8.781 -8.562 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.346 9.630 -7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.525 10.320 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.761 9.746 -9.771 1.00 0.00 H new ATOM 0 HE ARG A 66 2.031 12.146 -8.209 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.099 9.861 -10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.026 11.015 -11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.649 13.617 -9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.227 13.124 -10.709 1.00 0.00 H new ATOM 1038 N GLU A 67 2.744 5.443 -5.538 1.00 0.00 N ATOM 1039 CA GLU A 67 2.215 4.167 -5.072 1.00 0.00 C ATOM 1040 C GLU A 67 1.696 4.272 -3.639 1.00 0.00 C ATOM 1041 O GLU A 67 0.604 3.799 -3.341 1.00 0.00 O ATOM 1042 CB GLU A 67 3.285 3.078 -5.152 1.00 0.00 C ATOM 1043 CG GLU A 67 3.722 2.758 -6.569 1.00 0.00 C ATOM 1044 CD GLU A 67 2.594 2.213 -7.414 1.00 0.00 C ATOM 1045 OE1 GLU A 67 2.001 1.183 -7.025 1.00 0.00 O ATOM 1046 OE2 GLU A 67 2.300 2.804 -8.474 1.00 0.00 O ATOM 0 H GLU A 67 3.724 5.411 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 67 1.383 3.900 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.155 3.392 -4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.903 2.170 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.118 3.660 -7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.534 2.031 -6.540 1.00 0.00 H new ATOM 1053 N ARG A 68 2.465 4.912 -2.753 1.00 0.00 N ATOM 1054 CA ARG A 68 2.062 5.039 -1.354 1.00 0.00 C ATOM 1055 C ARG A 68 0.794 5.888 -1.230 1.00 0.00 C ATOM 1056 O ARG A 68 0.011 5.717 -0.297 1.00 0.00 O ATOM 1057 CB ARG A 68 3.210 5.614 -0.506 1.00 0.00 C ATOM 1058 CG ARG A 68 3.277 7.132 -0.462 1.00 0.00 C ATOM 1059 CD ARG A 68 4.709 7.630 -0.595 1.00 0.00 C ATOM 1060 NE ARG A 68 5.235 8.111 0.676 1.00 0.00 N ATOM 1061 CZ ARG A 68 5.489 9.393 0.946 1.00 0.00 C ATOM 1062 NH1 ARG A 68 5.412 10.305 -0.015 1.00 0.00 N ATOM 1063 NH2 ARG A 68 5.858 9.758 2.168 1.00 0.00 N ATOM 0 H ARG A 68 3.360 5.345 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 68 1.833 4.045 -0.970 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.112 5.240 0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.155 5.235 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.670 7.548 -1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.852 7.489 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.341 6.824 -0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.748 8.433 -1.332 1.00 0.00 H new ATOM 0 HE ARG A 68 5.421 7.424 1.406 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.158 10.027 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.607 11.284 0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.948 9.058 2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.051 10.739 2.371 1.00 0.00 H new ATOM 1077 N GLU A 69 0.582 6.778 -2.190 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.609 7.613 -2.208 1.00 0.00 C ATOM 1079 C GLU A 69 -1.781 6.861 -2.836 1.00 0.00 C ATOM 1080 O GLU A 69 -2.911 6.935 -2.355 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.338 8.901 -2.985 1.00 0.00 C ATOM 1082 CG GLU A 69 0.879 9.669 -2.492 1.00 0.00 C ATOM 1083 CD GLU A 69 0.522 10.796 -1.548 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.618 11.308 -1.621 1.00 0.00 O ATOM 1085 OE2 GLU A 69 1.385 11.188 -0.734 1.00 0.00 O ATOM 0 H GLU A 69 1.222 6.940 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.868 7.866 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.200 8.657 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.214 9.546 -2.919 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.557 8.980 -1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.417 10.076 -3.348 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.494 6.122 -3.902 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.512 5.362 -4.623 1.00 0.00 C ATOM 1094 C ALA A 70 -2.962 4.146 -3.819 1.00 0.00 C ATOM 1095 O ALA A 70 -4.045 3.603 -4.039 1.00 0.00 O ATOM 1096 CB ALA A 70 -1.970 4.929 -5.976 1.00 0.00 C ATOM 0 H ALA A 70 -0.555 6.032 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.380 6.004 -4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.733 4.363 -6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.699 5.810 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.089 4.304 -5.832 1.00 0.00 H new ATOM 1102 N ILE A 71 -2.131 3.737 -2.878 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.420 2.587 -2.039 1.00 0.00 C ATOM 1104 C ILE A 71 -3.236 3.056 -0.848 1.00 0.00 C ATOM 1105 O ILE A 71 -4.136 2.359 -0.367 1.00 0.00 O ATOM 1106 CB ILE A 71 -1.110 1.877 -1.596 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.899 0.608 -2.421 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -1.109 1.541 -0.109 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.427 0.575 -3.148 1.00 0.00 C ATOM 0 H ILE A 71 -1.240 4.190 -2.674 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.996 1.852 -2.601 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.288 2.571 -1.772 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.966 -0.259 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.706 0.519 -3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.173 1.046 0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.209 2.458 0.471 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.945 0.878 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.509 -0.354 -3.713 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.489 1.422 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.240 0.633 -2.424 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.935 4.269 -0.403 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.738 4.930 0.606 1.00 0.00 C ATOM 1123 C LEU A 72 -5.114 5.217 0.033 1.00 0.00 C ATOM 1124 O LEU A 72 -6.107 5.226 0.757 1.00 0.00 O ATOM 1125 CB LEU A 72 -3.074 6.237 1.054 1.00 0.00 C ATOM 1126 CG LEU A 72 -2.120 6.131 2.252 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -2.663 6.929 3.428 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -1.894 4.677 2.651 1.00 0.00 C ATOM 0 H LEU A 72 -2.136 4.813 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.828 4.279 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.521 6.648 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.858 6.953 1.301 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.157 6.549 1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.978 6.846 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.762 7.976 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.639 6.537 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.214 4.635 3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.846 4.222 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.460 4.133 1.812 1.00 0.00 H new ATOM 1140 N ALA A 73 -5.157 5.413 -1.284 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.410 5.701 -1.978 1.00 0.00 C ATOM 1142 C ALA A 73 -7.354 4.505 -1.916 1.00 0.00 C ATOM 1143 O ALA A 73 -8.563 4.663 -1.756 1.00 0.00 O ATOM 1144 CB ALA A 73 -6.144 6.097 -3.422 1.00 0.00 C ATOM 0 H ALA A 73 -4.338 5.377 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.891 6.539 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.090 6.307 -3.922 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.515 6.987 -3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.636 5.281 -3.936 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.795 3.309 -2.029 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.578 2.084 -1.912 1.00 0.00 C ATOM 1152 C ILE A 74 -8.116 1.939 -0.490 1.00 0.00 C ATOM 1153 O ILE A 74 -9.271 1.575 -0.276 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.730 0.843 -2.272 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.338 0.880 -3.752 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.482 -0.443 -1.953 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -4.971 0.292 -4.030 1.00 0.00 C ATOM 0 H ILE A 74 -5.801 3.159 -2.202 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.410 2.150 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.823 0.863 -1.668 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.084 0.335 -4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.358 1.913 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.863 -1.301 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.713 -0.475 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.408 -0.475 -2.527 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.760 0.351 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.215 0.852 -3.479 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.952 -0.751 -3.714 1.00 0.00 H new ATOM 1169 N HIS A 75 -7.270 2.259 0.481 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.624 2.124 1.886 1.00 0.00 C ATOM 1171 C HIS A 75 -8.517 3.273 2.341 1.00 0.00 C ATOM 1172 O HIS A 75 -9.011 3.266 3.457 1.00 0.00 O ATOM 1173 CB HIS A 75 -6.335 1.980 2.732 1.00 0.00 C ATOM 1174 CG HIS A 75 -6.112 2.991 3.826 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -5.944 2.634 5.145 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -5.983 4.338 3.789 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -5.722 3.714 5.867 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.740 4.761 5.072 1.00 0.00 N ATOM 0 H HIS A 75 -6.328 2.616 0.318 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.213 1.218 2.031 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.337 0.988 3.184 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.481 2.020 2.056 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -5.985 1.681 5.507 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.058 4.964 2.912 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.553 3.735 6.934 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.734 4.248 1.475 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.651 5.331 1.787 1.00 0.00 C ATOM 1189 C LYS A 76 -11.042 4.781 2.042 1.00 0.00 C ATOM 1190 O LYS A 76 -11.620 4.989 3.109 1.00 0.00 O ATOM 1191 CB LYS A 76 -9.707 6.345 0.644 1.00 0.00 C ATOM 1192 CG LYS A 76 -8.466 7.204 0.518 1.00 0.00 C ATOM 1193 CD LYS A 76 -8.600 8.477 1.324 1.00 0.00 C ATOM 1194 CE LYS A 76 -8.680 9.699 0.423 1.00 0.00 C ATOM 1195 NZ LYS A 76 -8.348 10.947 1.156 1.00 0.00 N ATOM 0 H LYS A 76 -8.292 4.312 0.558 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.287 5.833 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.863 5.811 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.571 6.993 0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.596 6.644 0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.295 7.450 -0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.493 8.423 1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.748 8.575 1.997 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.995 9.577 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.684 9.778 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.414 11.758 0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.017 11.077 1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.381 10.882 1.532 1.00 0.00 H new ATOM 1209 N GLU A 77 -11.558 4.047 1.076 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.893 3.483 1.187 1.00 0.00 C ATOM 1211 C GLU A 77 -12.848 2.244 2.056 1.00 0.00 C ATOM 1212 O GLU A 77 -13.803 1.906 2.748 1.00 0.00 O ATOM 1213 CB GLU A 77 -13.443 3.137 -0.195 1.00 0.00 C ATOM 1214 CG GLU A 77 -14.640 3.983 -0.591 1.00 0.00 C ATOM 1215 CD GLU A 77 -14.266 5.421 -0.892 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -14.097 6.213 0.061 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -14.151 5.773 -2.083 1.00 0.00 O ATOM 0 H GLU A 77 -11.075 3.826 0.205 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.553 4.220 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.654 3.266 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.728 2.085 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.116 3.544 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.375 3.964 0.213 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.699 1.601 2.032 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.496 0.357 2.745 1.00 0.00 C ATOM 1226 C ALA A 78 -11.163 0.583 4.217 1.00 0.00 C ATOM 1227 O ALA A 78 -10.953 -0.381 4.961 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.392 -0.437 2.076 1.00 0.00 C ATOM 0 H ALA A 78 -10.880 1.926 1.518 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.431 -0.203 2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.240 -1.373 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.672 -0.652 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.469 0.142 2.088 1.00 0.00 H new ATOM 1234 N GLN A 79 -11.078 1.842 4.638 1.00 0.00 N ATOM 1235 CA GLN A 79 -10.827 2.134 6.045 1.00 0.00 C ATOM 1236 C GLN A 79 -11.893 3.035 6.642 1.00 0.00 C ATOM 1237 O GLN A 79 -12.376 2.764 7.735 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.443 2.759 6.250 1.00 0.00 C ATOM 1239 CG GLN A 79 -8.732 2.252 7.488 1.00 0.00 C ATOM 1240 CD GLN A 79 -7.947 0.989 7.220 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -6.716 0.989 7.213 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -8.653 -0.098 6.983 1.00 0.00 N ATOM 0 H GLN A 79 -11.177 2.661 4.038 1.00 0.00 H new ATOM 0 HA GLN A 79 -10.862 1.178 6.567 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.826 2.553 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.548 3.842 6.318 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.058 3.024 7.860 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.464 2.063 8.273 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.672 -0.058 6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.180 -0.980 6.785 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.269 4.086 5.918 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.208 5.091 6.431 1.00 0.00 C ATOM 1253 C ARG A 80 -14.494 4.472 6.925 1.00 0.00 C ATOM 1254 O ARG A 80 -15.144 5.001 7.822 1.00 0.00 O ATOM 1255 CB ARG A 80 -13.521 6.126 5.363 1.00 0.00 C ATOM 1256 CG ARG A 80 -12.422 7.143 5.250 1.00 0.00 C ATOM 1257 CD ARG A 80 -12.807 8.455 5.912 1.00 0.00 C ATOM 1258 NE ARG A 80 -11.798 8.911 6.869 1.00 0.00 N ATOM 1259 CZ ARG A 80 -10.985 9.946 6.661 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -10.979 10.575 5.490 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -10.160 10.332 7.624 1.00 0.00 N ATOM 0 H ARG A 80 -11.939 4.268 4.970 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.720 5.574 7.278 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.660 5.630 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -14.459 6.626 5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -11.515 6.753 5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.194 7.318 4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.949 9.218 5.146 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.762 8.335 6.424 1.00 0.00 H new ATOM 0 HE ARG A 80 -11.712 8.405 7.750 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.600 10.266 4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.353 11.366 5.339 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.151 9.838 8.516 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.534 11.123 7.473 1.00 0.00 H new ATOM 1275 N ILE A 81 -14.854 3.358 6.333 1.00 0.00 N ATOM 1276 CA ILE A 81 -16.024 2.608 6.766 1.00 0.00 C ATOM 1277 C ILE A 81 -15.905 2.238 8.247 1.00 0.00 C ATOM 1278 O ILE A 81 -16.846 2.400 9.014 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.234 1.333 5.918 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -14.936 0.534 5.801 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.754 1.704 4.538 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -14.913 -0.703 6.671 1.00 0.00 C ATOM 0 H ILE A 81 -14.355 2.944 5.546 1.00 0.00 H new ATOM 0 HA ILE A 81 -16.893 3.251 6.625 1.00 0.00 H new ATOM 0 HB ILE A 81 -16.972 0.706 6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.791 0.241 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.097 1.175 6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -16.899 0.799 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.704 2.229 4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -16.032 2.351 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -13.964 -1.223 6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.027 -0.415 7.716 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -15.731 -1.364 6.385 1.00 0.00 H new ATOM 1294 N ALA A 82 -14.715 1.802 8.652 1.00 0.00 N ATOM 1295 CA ALA A 82 -14.473 1.379 10.030 1.00 0.00 C ATOM 1296 C ALA A 82 -14.167 2.583 10.909 1.00 0.00 C ATOM 1297 O ALA A 82 -14.213 2.510 12.138 1.00 0.00 O ATOM 1298 CB ALA A 82 -13.332 0.375 10.089 1.00 0.00 C ATOM 0 H ALA A 82 -13.900 1.732 8.043 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.375 0.896 10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.167 0.072 11.123 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.586 -0.500 9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.424 0.832 9.696 1.00 0.00 H new ATOM 1304 N GLU A 83 -13.837 3.687 10.266 1.00 0.00 N ATOM 1305 CA GLU A 83 -13.618 4.942 10.961 1.00 0.00 C ATOM 1306 C GLU A 83 -14.966 5.597 11.272 1.00 0.00 C ATOM 1307 O GLU A 83 -15.107 6.310 12.265 1.00 0.00 O ATOM 1308 CB GLU A 83 -12.739 5.878 10.123 1.00 0.00 C ATOM 1309 CG GLU A 83 -11.613 5.171 9.369 1.00 0.00 C ATOM 1310 CD GLU A 83 -10.246 5.747 9.675 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -10.125 6.520 10.645 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -9.289 5.437 8.936 1.00 0.00 O ATOM 0 H GLU A 83 -13.714 3.740 9.255 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.096 4.744 11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.369 6.403 9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.304 6.633 10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.621 4.111 9.625 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.800 5.242 8.297 1.00 0.00 H new ATOM 1479 N TYR A 95 -5.859 -9.267 4.479 1.00 0.00 N ATOM 1480 CA TYR A 95 -5.060 -10.107 3.595 1.00 0.00 C ATOM 1481 C TYR A 95 -3.596 -9.679 3.643 1.00 0.00 C ATOM 1482 O TYR A 95 -2.694 -10.512 3.704 1.00 0.00 O ATOM 1483 CB TYR A 95 -5.579 -10.025 2.148 1.00 0.00 C ATOM 1484 CG TYR A 95 -7.084 -10.162 2.011 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -7.773 -11.209 2.615 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -7.821 -9.241 1.276 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -9.143 -11.328 2.492 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -9.186 -9.358 1.148 1.00 0.00 C ATOM 1489 CZ TYR A 95 -9.845 -10.403 1.757 1.00 0.00 C ATOM 1490 OH TYR A 95 -11.207 -10.519 1.634 1.00 0.00 O ATOM 0 HA TYR A 95 -5.144 -11.138 3.937 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.273 -9.071 1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.100 -10.807 1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.226 -11.942 3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.313 -8.418 0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -9.661 -12.145 2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.740 -8.632 0.571 1.00 0.00 H new ATOM 0 HH TYR A 95 -11.622 -10.458 2.520 1.00 0.00 H new ATOM 1500 N THR A 96 -3.368 -8.372 3.634 1.00 0.00 N ATOM 1501 CA THR A 96 -2.022 -7.838 3.661 1.00 0.00 C ATOM 1502 C THR A 96 -1.802 -7.048 4.945 1.00 0.00 C ATOM 1503 O THR A 96 -2.658 -6.270 5.363 1.00 0.00 O ATOM 1504 CB THR A 96 -1.736 -6.972 2.412 1.00 0.00 C ATOM 1505 OG1 THR A 96 -0.323 -6.819 2.234 1.00 0.00 O ATOM 1506 CG2 THR A 96 -2.400 -5.606 2.499 1.00 0.00 C ATOM 0 H THR A 96 -4.103 -7.665 3.608 1.00 0.00 H new ATOM 0 HA THR A 96 -1.318 -8.670 3.642 1.00 0.00 H new ATOM 0 HB THR A 96 -2.160 -7.489 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.151 -6.271 1.440 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.172 -5.033 1.601 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.479 -5.731 2.585 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.025 -5.074 3.374 1.00 0.00 H new ATOM 1514 N THR A 97 -0.668 -7.288 5.582 1.00 0.00 N ATOM 1515 CA THR A 97 -0.371 -6.715 6.886 1.00 0.00 C ATOM 1516 C THR A 97 0.053 -5.249 6.798 1.00 0.00 C ATOM 1517 O THR A 97 -0.110 -4.486 7.754 1.00 0.00 O ATOM 1518 CB THR A 97 0.738 -7.535 7.568 1.00 0.00 C ATOM 1519 OG1 THR A 97 0.364 -8.918 7.584 1.00 0.00 O ATOM 1520 CG2 THR A 97 0.987 -7.042 8.981 1.00 0.00 C ATOM 0 H THR A 97 0.072 -7.884 5.211 1.00 0.00 H new ATOM 0 HA THR A 97 -1.287 -6.752 7.475 1.00 0.00 H new ATOM 0 HB THR A 97 1.662 -7.414 7.003 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.070 -9.443 8.016 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.775 -7.638 9.441 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.293 -5.996 8.953 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.072 -7.137 9.566 1.00 0.00 H new ATOM 1528 N VAL A 98 0.595 -4.873 5.652 1.00 0.00 N ATOM 1529 CA VAL A 98 1.120 -3.527 5.433 1.00 0.00 C ATOM 1530 C VAL A 98 0.085 -2.440 5.747 1.00 0.00 C ATOM 1531 O VAL A 98 -0.936 -2.312 5.071 1.00 0.00 O ATOM 1532 CB VAL A 98 1.619 -3.351 3.983 1.00 0.00 C ATOM 1533 CG1 VAL A 98 2.887 -4.152 3.757 1.00 0.00 C ATOM 1534 CG2 VAL A 98 0.558 -3.769 2.982 1.00 0.00 C ATOM 0 H VAL A 98 0.686 -5.489 4.844 1.00 0.00 H new ATOM 0 HA VAL A 98 1.957 -3.411 6.122 1.00 0.00 H new ATOM 0 HB VAL A 98 1.834 -2.293 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.225 -4.016 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.662 -3.808 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.687 -5.208 3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.939 -3.634 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.305 -4.818 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.333 -3.156 3.119 1.00 0.00 H new ATOM 1544 N THR A 99 0.350 -1.673 6.790 1.00 0.00 N ATOM 1545 CA THR A 99 -0.507 -0.554 7.139 1.00 0.00 C ATOM 1546 C THR A 99 0.040 0.733 6.527 1.00 0.00 C ATOM 1547 O THR A 99 1.221 0.801 6.172 1.00 0.00 O ATOM 1548 CB THR A 99 -0.622 -0.391 8.667 1.00 0.00 C ATOM 1549 OG1 THR A 99 0.674 -0.475 9.268 1.00 0.00 O ATOM 1550 CG2 THR A 99 -1.531 -1.455 9.260 1.00 0.00 C ATOM 0 H THR A 99 1.150 -1.804 7.409 1.00 0.00 H new ATOM 0 HA THR A 99 -1.501 -0.757 6.741 1.00 0.00 H new ATOM 0 HB THR A 99 -1.055 0.588 8.872 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.876 0.366 9.729 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.595 -1.318 10.339 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.526 -1.368 8.823 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.124 -2.443 9.043 1.00 0.00 H new ATOM 1558 N PRO A 100 -0.805 1.769 6.396 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.401 3.064 5.839 1.00 0.00 C ATOM 1560 C PRO A 100 0.809 3.653 6.560 1.00 0.00 C ATOM 1561 O PRO A 100 1.682 4.262 5.943 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.630 3.958 6.054 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.504 3.214 7.008 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.224 1.761 6.775 1.00 0.00 C ATOM 0 HA PRO A 100 -0.102 2.974 4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.343 4.928 6.460 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.147 4.146 5.113 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.284 3.494 8.038 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.555 3.442 6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.402 1.165 7.670 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.853 1.348 5.986 1.00 0.00 H new ATOM 1572 N GLN A 101 0.863 3.446 7.867 1.00 0.00 N ATOM 1573 CA GLN A 101 1.948 3.977 8.680 1.00 0.00 C ATOM 1574 C GLN A 101 3.212 3.163 8.484 1.00 0.00 C ATOM 1575 O GLN A 101 4.299 3.721 8.372 1.00 0.00 O ATOM 1576 CB GLN A 101 1.549 3.992 10.157 1.00 0.00 C ATOM 1577 CG GLN A 101 0.595 5.118 10.521 1.00 0.00 C ATOM 1578 CD GLN A 101 -0.847 4.817 10.145 1.00 0.00 C ATOM 1579 OE1 GLN A 101 -1.384 3.762 10.480 1.00 0.00 O ATOM 1580 NE2 GLN A 101 -1.478 5.742 9.434 1.00 0.00 N ATOM 0 H GLN A 101 0.167 2.913 8.389 1.00 0.00 H new ATOM 0 HA GLN A 101 2.146 5.000 8.361 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.084 3.039 10.408 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.449 4.079 10.766 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.654 5.305 11.593 1.00 0.00 H new ATOM 0 HG3 GLN A 101 0.912 6.033 10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -0.997 6.604 9.177 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -2.444 5.592 9.145 1.00 0.00 H new ATOM 1589 N ILE A 102 3.069 1.847 8.416 1.00 0.00 N ATOM 1590 CA ILE A 102 4.213 0.970 8.213 1.00 0.00 C ATOM 1591 C ILE A 102 4.881 1.273 6.874 1.00 0.00 C ATOM 1592 O ILE A 102 6.106 1.322 6.779 1.00 0.00 O ATOM 1593 CB ILE A 102 3.802 -0.524 8.297 1.00 0.00 C ATOM 1594 CG1 ILE A 102 4.204 -1.090 9.658 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.421 -1.358 7.181 1.00 0.00 C ATOM 1596 CD1 ILE A 102 3.363 -0.562 10.794 1.00 0.00 C ATOM 0 H ILE A 102 2.174 1.364 8.498 1.00 0.00 H new ATOM 0 HA ILE A 102 4.930 1.159 9.012 1.00 0.00 H new ATOM 0 HB ILE A 102 2.720 -0.576 8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.124 -2.177 9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.251 -0.852 9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 102 4.103 -2.396 7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 102 4.095 -0.972 6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.508 -1.303 7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.700 -1.003 11.732 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.462 0.522 10.847 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.318 -0.823 10.625 1.00 0.00 H new ATOM 1608 N ILE A 103 4.065 1.517 5.857 1.00 0.00 N ATOM 1609 CA ILE A 103 4.575 1.787 4.524 1.00 0.00 C ATOM 1610 C ILE A 103 5.122 3.214 4.413 1.00 0.00 C ATOM 1611 O ILE A 103 6.080 3.462 3.682 1.00 0.00 O ATOM 1612 CB ILE A 103 3.494 1.515 3.445 1.00 0.00 C ATOM 1613 CG1 ILE A 103 4.141 0.969 2.174 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.674 2.761 3.129 1.00 0.00 C ATOM 1615 CD1 ILE A 103 3.456 -0.264 1.629 1.00 0.00 C ATOM 0 H ILE A 103 3.048 1.533 5.932 1.00 0.00 H new ATOM 0 HA ILE A 103 5.404 1.103 4.344 1.00 0.00 H new ATOM 0 HB ILE A 103 2.810 0.769 3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.134 1.746 1.410 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.185 0.734 2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.930 2.524 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.172 3.105 4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.333 3.546 2.759 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.969 -0.596 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.486 -1.057 2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.419 -0.029 1.391 1.00 0.00 H new ATOM 1627 N ASN A 104 4.534 4.145 5.157 1.00 0.00 N ATOM 1628 CA ASN A 104 4.974 5.535 5.113 1.00 0.00 C ATOM 1629 C ASN A 104 6.263 5.726 5.900 1.00 0.00 C ATOM 1630 O ASN A 104 7.226 6.301 5.391 1.00 0.00 O ATOM 1631 CB ASN A 104 3.892 6.468 5.654 1.00 0.00 C ATOM 1632 CG ASN A 104 3.596 7.616 4.703 1.00 0.00 C ATOM 1633 OD1 ASN A 104 4.284 7.793 3.696 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.577 8.401 5.014 1.00 0.00 N ATOM 0 H ASN A 104 3.757 3.965 5.793 1.00 0.00 H new ATOM 0 HA ASN A 104 5.163 5.786 4.069 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.979 5.899 5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 104 4.208 6.869 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.336 9.187 4.410 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.032 8.220 5.857 1.00 0.00 H new ATOM 1641 N SER A 105 6.283 5.237 7.137 1.00 0.00 N ATOM 1642 CA SER A 105 7.475 5.348 7.979 1.00 0.00 C ATOM 1643 C SER A 105 8.674 4.641 7.345 1.00 0.00 C ATOM 1644 O SER A 105 9.797 5.148 7.392 1.00 0.00 O ATOM 1645 CB SER A 105 7.209 4.779 9.375 1.00 0.00 C ATOM 1646 OG SER A 105 5.911 5.125 9.829 1.00 0.00 O ATOM 0 H SER A 105 5.495 4.763 7.578 1.00 0.00 H new ATOM 0 HA SER A 105 7.713 6.408 8.070 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.313 3.694 9.355 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.955 5.158 10.074 1.00 0.00 H new ATOM 0 HG SER A 105 5.284 4.406 9.606 1.00 0.00 H new ATOM 1652 N LYS A 106 8.430 3.478 6.745 1.00 0.00 N ATOM 1653 CA LYS A 106 9.488 2.738 6.068 1.00 0.00 C ATOM 1654 C LYS A 106 10.012 3.532 4.881 1.00 0.00 C ATOM 1655 O LYS A 106 11.219 3.600 4.649 1.00 0.00 O ATOM 1656 CB LYS A 106 8.983 1.372 5.603 1.00 0.00 C ATOM 1657 CG LYS A 106 9.454 0.220 6.476 1.00 0.00 C ATOM 1658 CD LYS A 106 10.787 -0.329 5.998 1.00 0.00 C ATOM 1659 CE LYS A 106 11.424 -1.229 7.042 1.00 0.00 C ATOM 1660 NZ LYS A 106 12.229 -2.316 6.425 1.00 0.00 N ATOM 0 H LYS A 106 7.514 3.031 6.715 1.00 0.00 H new ATOM 0 HA LYS A 106 10.301 2.582 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.893 1.383 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.315 1.200 4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.547 0.558 7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.707 -0.574 6.467 1.00 0.00 H new ATOM 0 HD2 LYS A 106 10.641 -0.888 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.460 0.497 5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.061 -0.632 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.646 -1.665 7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 12.562 -2.965 7.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.642 -2.839 5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.047 -1.905 5.932 1.00 0.00 H new ATOM 1674 N TRP A 107 9.092 4.148 4.144 1.00 0.00 N ATOM 1675 CA TRP A 107 9.449 4.999 3.018 1.00 0.00 C ATOM 1676 C TRP A 107 10.334 6.152 3.486 1.00 0.00 C ATOM 1677 O TRP A 107 11.331 6.482 2.845 1.00 0.00 O ATOM 1678 CB TRP A 107 8.181 5.535 2.343 1.00 0.00 C ATOM 1679 CG TRP A 107 8.454 6.500 1.236 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.541 7.858 1.329 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.671 6.176 -0.135 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.798 8.393 0.098 1.00 0.00 N ATOM 1683 CE2 TRP A 107 8.885 7.383 -0.819 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.707 4.982 -0.847 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.130 7.428 -2.185 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.948 5.025 -2.205 1.00 0.00 C ATOM 1687 CH2 TRP A 107 9.161 6.243 -2.861 1.00 0.00 C ATOM 0 H TRP A 107 8.088 4.071 4.310 1.00 0.00 H new ATOM 0 HA TRP A 107 10.008 4.409 2.292 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.607 4.696 1.949 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.559 6.023 3.093 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.424 8.426 2.240 1.00 0.00 H new ATOM 0 HE1 TRP A 107 8.907 9.387 -0.104 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.549 4.038 -0.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.290 8.367 -2.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.973 4.105 -2.770 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.354 6.245 -3.924 1.00 0.00 H new ATOM 1698 N GLU A 108 9.972 6.740 4.620 1.00 0.00 N ATOM 1699 CA GLU A 108 10.720 7.842 5.203 1.00 0.00 C ATOM 1700 C GLU A 108 12.159 7.431 5.489 1.00 0.00 C ATOM 1701 O GLU A 108 13.090 8.230 5.367 1.00 0.00 O ATOM 1702 CB GLU A 108 10.053 8.271 6.500 1.00 0.00 C ATOM 1703 CG GLU A 108 9.000 9.350 6.333 1.00 0.00 C ATOM 1704 CD GLU A 108 8.305 9.659 7.638 1.00 0.00 C ATOM 1705 OE1 GLU A 108 7.441 8.865 8.059 1.00 0.00 O ATOM 1706 OE2 GLU A 108 8.644 10.683 8.267 1.00 0.00 O ATOM 0 H GLU A 108 9.151 6.465 5.160 1.00 0.00 H new ATOM 0 HA GLU A 108 10.730 8.669 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.592 7.399 6.964 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.819 8.630 7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.466 10.256 5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.264 9.029 5.596 1.00 0.00 H new ATOM 1713 N LYS A 109 12.331 6.180 5.884 1.00 0.00 N ATOM 1714 CA LYS A 109 13.647 5.646 6.180 1.00 0.00 C ATOM 1715 C LYS A 109 14.416 5.392 4.892 1.00 0.00 C ATOM 1716 O LYS A 109 15.614 5.650 4.806 1.00 0.00 O ATOM 1717 CB LYS A 109 13.517 4.361 6.994 1.00 0.00 C ATOM 1718 CG LYS A 109 13.833 4.565 8.461 1.00 0.00 C ATOM 1719 CD LYS A 109 12.594 4.942 9.264 1.00 0.00 C ATOM 1720 CE LYS A 109 12.360 6.447 9.260 1.00 0.00 C ATOM 1721 NZ LYS A 109 11.503 6.889 10.392 1.00 0.00 N ATOM 0 H LYS A 109 11.569 5.513 6.007 1.00 0.00 H new ATOM 0 HA LYS A 109 14.202 6.376 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.503 3.974 6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 109 14.188 3.606 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 109 14.266 3.652 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.584 5.348 8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 109 11.722 4.437 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 109 12.705 4.593 10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 109 13.320 6.962 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.893 6.737 8.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 11.372 7.920 10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 10.577 6.420 10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.959 6.637 11.292 1.00 0.00 H new ATOM 1735 N VAL A 110 13.708 4.891 3.895 1.00 0.00 N ATOM 1736 CA VAL A 110 14.272 4.703 2.560 1.00 0.00 C ATOM 1737 C VAL A 110 14.834 6.020 2.023 1.00 0.00 C ATOM 1738 O VAL A 110 15.948 6.064 1.501 1.00 0.00 O ATOM 1739 CB VAL A 110 13.215 4.150 1.573 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.746 4.139 0.146 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.773 2.756 1.988 1.00 0.00 C ATOM 0 H VAL A 110 12.733 4.603 3.981 1.00 0.00 H new ATOM 0 HA VAL A 110 15.079 3.975 2.646 1.00 0.00 H new ATOM 0 HB VAL A 110 12.350 4.812 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.981 3.746 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 110 14.004 5.155 -0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.634 3.509 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.030 2.385 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.634 2.088 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.337 2.795 2.986 1.00 0.00 H new ATOM 1751 N GLN A 111 14.066 7.094 2.188 1.00 0.00 N ATOM 1752 CA GLN A 111 14.473 8.420 1.728 1.00 0.00 C ATOM 1753 C GLN A 111 15.751 8.879 2.423 1.00 0.00 C ATOM 1754 O GLN A 111 16.633 9.458 1.795 1.00 0.00 O ATOM 1755 CB GLN A 111 13.365 9.441 1.986 1.00 0.00 C ATOM 1756 CG GLN A 111 12.045 9.082 1.339 1.00 0.00 C ATOM 1757 CD GLN A 111 11.709 9.979 0.167 1.00 0.00 C ATOM 1758 OE1 GLN A 111 11.494 11.180 0.329 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.655 9.406 -1.021 1.00 0.00 N ATOM 0 H GLN A 111 13.152 7.071 2.640 1.00 0.00 H new ATOM 0 HA GLN A 111 14.662 8.350 0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 111 13.217 9.540 3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.687 10.415 1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 111 12.080 8.046 1.001 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.250 9.148 2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.840 8.407 -1.114 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.429 9.962 -1.846 1.00 0.00 H new ATOM 1768 N GLN A 112 15.848 8.606 3.716 1.00 0.00 N ATOM 1769 CA GLN A 112 16.996 9.044 4.507 1.00 0.00 C ATOM 1770 C GLN A 112 18.243 8.225 4.174 1.00 0.00 C ATOM 1771 O GLN A 112 19.373 8.694 4.340 1.00 0.00 O ATOM 1772 CB GLN A 112 16.678 8.957 6.006 1.00 0.00 C ATOM 1773 CG GLN A 112 17.017 7.617 6.643 1.00 0.00 C ATOM 1774 CD GLN A 112 16.762 7.598 8.134 1.00 0.00 C ATOM 1775 OE1 GLN A 112 15.803 8.195 8.621 1.00 0.00 O ATOM 1776 NE2 GLN A 112 17.613 6.907 8.868 1.00 0.00 N ATOM 0 H GLN A 112 15.148 8.084 4.242 1.00 0.00 H new ATOM 0 HA GLN A 112 17.202 10.084 4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 112 17.225 9.742 6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.617 9.157 6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.427 6.834 6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 112 18.065 7.385 6.455 1.00 0.00 H new ATOM 0 HE21 GLN A 112 18.396 6.426 8.425 1.00 0.00 H new ATOM 0 HE22 GLN A 112 17.488 6.854 9.879 1.00 0.00 H new ATOM 1785 N LEU A 113 18.031 7.006 3.693 1.00 0.00 N ATOM 1786 CA LEU A 113 19.132 6.124 3.338 1.00 0.00 C ATOM 1787 C LEU A 113 19.760 6.550 2.016 1.00 0.00 C ATOM 1788 O LEU A 113 20.898 6.183 1.707 1.00 0.00 O ATOM 1789 CB LEU A 113 18.646 4.677 3.245 1.00 0.00 C ATOM 1790 CG LEU A 113 18.768 3.869 4.534 1.00 0.00 C ATOM 1791 CD1 LEU A 113 17.643 2.854 4.628 1.00 0.00 C ATOM 1792 CD2 LEU A 113 20.120 3.177 4.603 1.00 0.00 C ATOM 0 H LEU A 113 17.105 6.607 3.540 1.00 0.00 H new ATOM 0 HA LEU A 113 19.889 6.193 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.601 4.680 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.210 4.170 2.462 1.00 0.00 H new ATOM 0 HG LEU A 113 18.690 4.551 5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 113 17.743 2.285 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 113 16.684 3.372 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 113 17.693 2.175 3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 113 20.189 2.606 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 113 20.228 2.504 3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 113 20.913 3.924 4.578 1.00 0.00 H new ATOM 1804 N VAL A 114 19.019 7.335 1.242 1.00 0.00 N ATOM 1805 CA VAL A 114 19.505 7.812 -0.043 1.00 0.00 C ATOM 1806 C VAL A 114 20.769 8.666 0.129 1.00 0.00 C ATOM 1807 O VAL A 114 21.827 8.282 -0.370 1.00 0.00 O ATOM 1808 CB VAL A 114 18.428 8.601 -0.824 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.971 9.072 -2.165 1.00 0.00 C ATOM 1810 CG2 VAL A 114 17.179 7.753 -1.019 1.00 0.00 C ATOM 0 H VAL A 114 18.080 7.653 1.484 1.00 0.00 H new ATOM 0 HA VAL A 114 19.753 6.928 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 114 18.158 9.480 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 114 18.197 9.625 -2.697 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.832 9.720 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 114 19.274 8.209 -2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.433 8.325 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.434 6.854 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.775 7.472 -0.047 1.00 0.00 H new ATOM 1820 N PRO A 115 20.704 9.809 0.855 1.00 0.00 N ATOM 1821 CA PRO A 115 21.872 10.682 1.060 1.00 0.00 C ATOM 1822 C PRO A 115 22.989 9.981 1.826 1.00 0.00 C ATOM 1823 O PRO A 115 24.164 10.315 1.673 1.00 0.00 O ATOM 1824 CB PRO A 115 21.319 11.857 1.879 1.00 0.00 C ATOM 1825 CG PRO A 115 19.845 11.806 1.685 1.00 0.00 C ATOM 1826 CD PRO A 115 19.510 10.355 1.525 1.00 0.00 C ATOM 0 HA PRO A 115 22.317 10.986 0.112 1.00 0.00 H new ATOM 0 HB2 PRO A 115 21.581 11.761 2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.729 12.806 1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 115 19.322 12.237 2.539 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.545 12.377 0.806 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.332 9.874 2.487 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.611 10.212 0.926 1.00 0.00 H new ATOM 1834 N LYS A 116 22.615 9.000 2.639 1.00 0.00 N ATOM 1835 CA LYS A 116 23.584 8.230 3.409 1.00 0.00 C ATOM 1836 C LYS A 116 24.482 7.420 2.479 1.00 0.00 C ATOM 1837 O LYS A 116 25.706 7.552 2.506 1.00 0.00 O ATOM 1838 CB LYS A 116 22.861 7.297 4.382 1.00 0.00 C ATOM 1839 CG LYS A 116 23.107 7.629 5.843 1.00 0.00 C ATOM 1840 CD LYS A 116 24.290 6.850 6.402 1.00 0.00 C ATOM 1841 CE LYS A 116 25.001 7.623 7.504 1.00 0.00 C ATOM 1842 NZ LYS A 116 26.006 6.783 8.207 1.00 0.00 N ATOM 0 H LYS A 116 21.645 8.719 2.782 1.00 0.00 H new ATOM 0 HA LYS A 116 24.205 8.923 3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 116 21.790 7.340 4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 116 23.179 6.272 4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 116 23.292 8.698 5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 116 22.213 7.402 6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 116 23.944 5.893 6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 116 24.994 6.630 5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 116 25.493 8.497 7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 116 24.268 7.990 8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 26.469 7.344 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 25.533 5.963 8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 26.720 6.454 7.527 1.00 0.00 H new ATOM 1856 N ARG A 117 23.861 6.598 1.644 1.00 0.00 N ATOM 1857 CA ARG A 117 24.595 5.780 0.691 1.00 0.00 C ATOM 1858 C ARG A 117 25.208 6.652 -0.399 1.00 0.00 C ATOM 1859 O ARG A 117 26.274 6.339 -0.927 1.00 0.00 O ATOM 1860 CB ARG A 117 23.665 4.715 0.092 1.00 0.00 C ATOM 1861 CG ARG A 117 24.140 4.149 -1.234 1.00 0.00 C ATOM 1862 CD ARG A 117 24.196 2.632 -1.220 1.00 0.00 C ATOM 1863 NE ARG A 117 24.232 2.078 -2.577 1.00 0.00 N ATOM 1864 CZ ARG A 117 23.679 0.913 -2.920 1.00 0.00 C ATOM 1865 NH1 ARG A 117 23.099 0.160 -2.006 1.00 0.00 N ATOM 1866 NH2 ARG A 117 23.717 0.489 -4.180 1.00 0.00 N ATOM 0 H ARG A 117 22.848 6.481 1.608 1.00 0.00 H new ATOM 0 HA ARG A 117 25.409 5.273 1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 117 23.559 3.898 0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.675 5.149 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 117 23.471 4.479 -2.029 1.00 0.00 H new ATOM 0 HG3 ARG A 117 25.129 4.546 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.079 2.306 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 117 23.328 2.241 -0.690 1.00 0.00 H new ATOM 0 HE ARG A 117 24.708 2.615 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 117 23.072 0.468 -1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 117 22.677 -0.730 -2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 117 24.172 1.056 -4.895 1.00 0.00 H new ATOM 0 HH22 ARG A 117 23.291 -0.403 -4.431 1.00 0.00 H new ATOM 1880 N ASP A 118 24.542 7.758 -0.706 1.00 0.00 N ATOM 1881 CA ASP A 118 25.039 8.712 -1.697 1.00 0.00 C ATOM 1882 C ASP A 118 26.422 9.209 -1.309 1.00 0.00 C ATOM 1883 O ASP A 118 27.306 9.359 -2.153 1.00 0.00 O ATOM 1884 CB ASP A 118 24.084 9.901 -1.804 1.00 0.00 C ATOM 1885 CG ASP A 118 23.927 10.404 -3.223 1.00 0.00 C ATOM 1886 OD1 ASP A 118 23.038 9.893 -3.939 1.00 0.00 O ATOM 1887 OD2 ASP A 118 24.664 11.330 -3.613 1.00 0.00 O ATOM 0 H ASP A 118 23.652 8.020 -0.282 1.00 0.00 H new ATOM 0 HA ASP A 118 25.100 8.207 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 118 23.107 9.612 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 118 24.450 10.712 -1.175 1.00 0.00 H new ATOM 1892 N HIS A 119 26.615 9.413 -0.014 1.00 0.00 N ATOM 1893 CA HIS A 119 27.859 9.979 0.487 1.00 0.00 C ATOM 1894 C HIS A 119 28.960 8.933 0.486 1.00 0.00 C ATOM 1895 O HIS A 119 30.129 9.252 0.281 1.00 0.00 O ATOM 1896 CB HIS A 119 27.664 10.539 1.897 1.00 0.00 C ATOM 1897 CG HIS A 119 28.629 11.633 2.236 1.00 0.00 C ATOM 1898 ND1 HIS A 119 28.418 12.955 1.914 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.821 11.587 2.867 1.00 0.00 C ATOM 1900 CE1 HIS A 119 29.437 13.677 2.335 1.00 0.00 C ATOM 1901 NE2 HIS A 119 30.303 12.869 2.918 1.00 0.00 N ATOM 0 H HIS A 119 25.928 9.196 0.708 1.00 0.00 H new ATOM 0 HA HIS A 119 28.154 10.794 -0.174 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.647 10.918 1.993 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.772 9.731 2.620 1.00 0.00 H new ATOM 0 HD2 HIS A 119 30.305 10.705 3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 119 29.545 14.746 2.222 1.00 0.00 H new ATOM 0 HE2 HIS A 119 31.188 13.153 3.338 1.00 0.00 H new ATOM 1910 N ALA A 120 28.577 7.686 0.703 1.00 0.00 N ATOM 1911 CA ALA A 120 29.529 6.588 0.693 1.00 0.00 C ATOM 1912 C ALA A 120 30.009 6.321 -0.728 1.00 0.00 C ATOM 1913 O ALA A 120 31.192 6.084 -0.964 1.00 0.00 O ATOM 1914 CB ALA A 120 28.903 5.339 1.293 1.00 0.00 C ATOM 0 H ALA A 120 27.613 7.409 0.888 1.00 0.00 H new ATOM 0 HA ALA A 120 30.390 6.864 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.628 4.526 1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.604 5.540 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 120 28.027 5.055 0.710 1.00 0.00 H new ATOM 1920 N LEU A 121 29.084 6.390 -1.678 1.00 0.00 N ATOM 1921 CA LEU A 121 29.400 6.129 -3.074 1.00 0.00 C ATOM 1922 C LEU A 121 30.316 7.210 -3.632 1.00 0.00 C ATOM 1923 O LEU A 121 31.309 6.910 -4.290 1.00 0.00 O ATOM 1924 CB LEU A 121 28.123 6.055 -3.913 1.00 0.00 C ATOM 1925 CG LEU A 121 27.190 4.895 -3.574 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.764 5.234 -3.971 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.653 3.618 -4.262 1.00 0.00 C ATOM 0 H LEU A 121 28.107 6.625 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 121 29.914 5.169 -3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.574 6.989 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 121 28.402 5.981 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 121 27.217 4.729 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 121 25.109 4.398 -3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 121 25.438 6.123 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.720 5.424 -5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 121 26.976 2.802 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.654 3.766 -5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.661 3.370 -3.929 1.00 0.00 H new ATOM 1939 N LEU A 122 29.986 8.462 -3.342 1.00 0.00 N ATOM 1940 CA LEU A 122 30.753 9.597 -3.845 1.00 0.00 C ATOM 1941 C LEU A 122 32.096 9.723 -3.133 1.00 0.00 C ATOM 1942 O LEU A 122 32.978 10.447 -3.588 1.00 0.00 O ATOM 1943 CB LEU A 122 29.950 10.892 -3.690 1.00 0.00 C ATOM 1944 CG LEU A 122 29.332 11.439 -4.983 1.00 0.00 C ATOM 1945 CD1 LEU A 122 30.414 11.962 -5.917 1.00 0.00 C ATOM 1946 CD2 LEU A 122 28.496 10.370 -5.675 1.00 0.00 C ATOM 0 H LEU A 122 29.189 8.719 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 122 30.949 9.423 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 122 29.151 10.720 -2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.602 11.656 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 122 28.676 12.269 -4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 122 29.954 12.345 -6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 122 30.965 12.763 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 122 31.099 11.153 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 122 28.067 10.779 -6.590 1.00 0.00 H new ATOM 0 HD22 LEU A 122 29.128 9.516 -5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 122 27.694 10.048 -5.010 1.00 0.00 H new ATOM 1958 N GLU A 123 32.248 9.018 -2.019 1.00 0.00 N ATOM 1959 CA GLU A 123 33.520 8.992 -1.311 1.00 0.00 C ATOM 1960 C GLU A 123 34.382 7.834 -1.809 1.00 0.00 C ATOM 1961 O GLU A 123 35.608 7.872 -1.719 1.00 0.00 O ATOM 1962 CB GLU A 123 33.299 8.874 0.200 1.00 0.00 C ATOM 1963 CG GLU A 123 34.308 9.659 1.025 1.00 0.00 C ATOM 1964 CD GLU A 123 33.667 10.766 1.836 1.00 0.00 C ATOM 1965 OE1 GLU A 123 33.263 10.508 2.989 1.00 0.00 O ATOM 1966 OE2 GLU A 123 33.576 11.905 1.330 1.00 0.00 O ATOM 0 H GLU A 123 31.511 8.460 -1.589 1.00 0.00 H new ATOM 0 HA GLU A 123 34.040 9.929 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 123 32.295 9.223 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 123 33.348 7.823 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 123 34.830 8.978 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 123 35.058 10.089 0.361 1.00 0.00 H new ATOM 1973 N GLU A 124 33.729 6.811 -2.345 1.00 0.00 N ATOM 1974 CA GLU A 124 34.418 5.635 -2.844 1.00 0.00 C ATOM 1975 C GLU A 124 34.813 5.807 -4.306 1.00 0.00 C ATOM 1976 O GLU A 124 35.946 5.521 -4.689 1.00 0.00 O ATOM 1977 CB GLU A 124 33.518 4.411 -2.688 1.00 0.00 C ATOM 1978 CG GLU A 124 33.758 3.629 -1.408 1.00 0.00 C ATOM 1979 CD GLU A 124 35.223 3.332 -1.165 1.00 0.00 C ATOM 1980 OE1 GLU A 124 35.867 2.719 -2.043 1.00 0.00 O ATOM 1981 OE2 GLU A 124 35.738 3.703 -0.089 1.00 0.00 O ATOM 0 H GLU A 124 32.714 6.776 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 124 35.330 5.497 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 124 32.477 4.732 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 124 33.671 3.749 -3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 124 33.362 4.193 -0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 124 33.205 2.691 -1.452 1.00 0.00 H new ATOM 1988 N GLN A 125 33.880 6.292 -5.120 1.00 0.00 N ATOM 1989 CA GLN A 125 34.115 6.446 -6.554 1.00 0.00 C ATOM 1990 C GLN A 125 35.260 7.420 -6.833 1.00 0.00 C ATOM 1991 O GLN A 125 35.935 7.319 -7.856 1.00 0.00 O ATOM 1992 CB GLN A 125 32.841 6.914 -7.269 1.00 0.00 C ATOM 1993 CG GLN A 125 32.390 8.313 -6.882 1.00 0.00 C ATOM 1994 CD GLN A 125 32.101 9.192 -8.086 1.00 0.00 C ATOM 1995 OE1 GLN A 125 32.480 10.359 -8.122 1.00 0.00 O ATOM 1996 NE2 GLN A 125 31.425 8.638 -9.079 1.00 0.00 N ATOM 0 H GLN A 125 32.953 6.586 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 125 34.398 5.468 -6.943 1.00 0.00 H new ATOM 0 HB2 GLN A 125 33.009 6.883 -8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 125 32.036 6.211 -7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 125 31.494 8.243 -6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.161 8.783 -6.272 1.00 0.00 H new ATOM 0 HE21 GLN A 125 31.127 7.665 -9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 125 31.202 9.184 -9.911 1.00 0.00 H new ATOM 2005 N SER A 126 35.484 8.348 -5.914 1.00 0.00 N ATOM 2006 CA SER A 126 36.536 9.341 -6.075 1.00 0.00 C ATOM 2007 C SER A 126 37.927 8.718 -5.924 1.00 0.00 C ATOM 2008 O SER A 126 38.938 9.343 -6.256 1.00 0.00 O ATOM 2009 CB SER A 126 36.331 10.450 -5.051 1.00 0.00 C ATOM 2010 OG SER A 126 35.497 10.004 -3.995 1.00 0.00 O ATOM 0 H SER A 126 34.951 8.434 -5.049 1.00 0.00 H new ATOM 0 HA SER A 126 36.478 9.753 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 126 37.295 10.767 -4.652 1.00 0.00 H new ATOM 0 HB3 SER A 126 35.884 11.320 -5.533 1.00 0.00 H new ATOM 0 HG SER A 126 34.588 10.346 -4.129 1.00 0.00 H new ATOM 2016 N LYS A 127 37.978 7.482 -5.436 1.00 0.00 N ATOM 2017 CA LYS A 127 39.244 6.774 -5.274 1.00 0.00 C ATOM 2018 C LYS A 127 39.586 5.991 -6.537 1.00 0.00 C ATOM 2019 O LYS A 127 40.654 5.383 -6.641 1.00 0.00 O ATOM 2020 CB LYS A 127 39.177 5.828 -4.077 1.00 0.00 C ATOM 2021 CG LYS A 127 39.558 6.489 -2.765 1.00 0.00 C ATOM 2022 CD LYS A 127 38.506 6.249 -1.699 1.00 0.00 C ATOM 2023 CE LYS A 127 38.841 6.984 -0.415 1.00 0.00 C ATOM 2024 NZ LYS A 127 37.664 7.705 0.132 1.00 0.00 N ATOM 0 H LYS A 127 37.158 6.950 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 127 40.026 7.512 -5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 127 38.166 5.429 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 127 39.840 4.981 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 127 40.518 6.100 -2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 127 39.685 7.561 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 127 37.533 6.578 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 127 38.426 5.181 -1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 127 39.208 6.273 0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 127 39.647 7.694 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 37.982 8.558 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 37.031 7.978 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 37.153 7.085 0.792 1.00 0.00 H new ATOM 2038 N GLN A 128 38.670 6.011 -7.494 1.00 0.00 N ATOM 2039 CA GLN A 128 38.862 5.312 -8.750 1.00 0.00 C ATOM 2040 C GLN A 128 39.426 6.259 -9.807 1.00 0.00 C ATOM 2041 O GLN A 128 40.373 7.003 -9.542 1.00 0.00 O ATOM 2042 CB GLN A 128 37.539 4.698 -9.213 1.00 0.00 C ATOM 2043 CG GLN A 128 36.936 3.736 -8.204 1.00 0.00 C ATOM 2044 CD GLN A 128 37.556 2.356 -8.270 1.00 0.00 C ATOM 2045 OE1 GLN A 128 38.017 1.917 -9.324 1.00 0.00 O ATOM 2046 NE2 GLN A 128 37.584 1.669 -7.144 1.00 0.00 N ATOM 0 H GLN A 128 37.782 6.508 -7.421 1.00 0.00 H new ATOM 0 HA GLN A 128 39.582 4.507 -8.602 1.00 0.00 H new ATOM 0 HB2 GLN A 128 36.826 5.498 -9.413 1.00 0.00 H new ATOM 0 HB3 GLN A 128 37.700 4.172 -10.154 1.00 0.00 H new ATOM 0 HG2 GLN A 128 37.065 4.140 -7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 128 35.863 3.657 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 128 37.191 2.070 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 128 37.999 0.737 -7.125 1.00 0.00 H new ATOM 2055 N GLN A 129 38.847 6.234 -10.993 1.00 0.00 N ATOM 2056 CA GLN A 129 39.313 7.066 -12.094 1.00 0.00 C ATOM 2057 C GLN A 129 38.926 8.522 -11.867 1.00 0.00 C ATOM 2058 O GLN A 129 37.857 8.766 -11.271 1.00 0.00 O ATOM 2059 CB GLN A 129 38.734 6.566 -13.418 1.00 0.00 C ATOM 2060 CG GLN A 129 38.804 5.057 -13.575 1.00 0.00 C ATOM 2061 CD GLN A 129 39.972 4.613 -14.431 1.00 0.00 C ATOM 2062 OE1 GLN A 129 41.129 4.688 -14.017 1.00 0.00 O ATOM 2063 NE2 GLN A 129 39.674 4.144 -15.631 1.00 0.00 N ATOM 2064 OXT GLN A 129 39.702 9.418 -12.263 1.00 0.00 O ATOM 0 H GLN A 129 38.048 5.643 -11.222 1.00 0.00 H new ATOM 0 HA GLN A 129 40.400 7.000 -12.139 1.00 0.00 H new ATOM 0 HB2 GLN A 129 37.694 6.884 -13.495 1.00 0.00 H new ATOM 0 HB3 GLN A 129 39.272 7.035 -14.242 1.00 0.00 H new ATOM 0 HG2 GLN A 129 38.884 4.597 -12.590 1.00 0.00 H new ATOM 0 HG3 GLN A 129 37.876 4.698 -14.020 1.00 0.00 H new ATOM 0 HE21 GLN A 129 38.701 4.099 -15.934 1.00 0.00 H new ATOM 0 HE22 GLN A 129 40.417 3.827 -16.254 1.00 0.00 H new