USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 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 66 GLN : amide:sc= 0.0536 X(o=0.11,f=0.21) USER MOD Set 1.2: A 68 TYR OH : rot -83:sc= 0.0605 USER MOD Set 2.1: A 42 LYS NZ :NH3+ -108:sc= 0.566 (180deg=-0.145) USER MOD Set 2.2: A 46 TYR OH : rot -15:sc= -3.22! USER MOD Set 3.1: A 12 THR OG1 : rot -77:sc= 0.547 USER MOD Set 3.2: A 14 ASN : amide:sc= 0 X(o=0.55,f=0.54) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -170:sc= -1.08 USER MOD Single : A 20 MET CE :methyl -147:sc= -1.75 (180deg=-3.42!) USER MOD Single : A 22 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 25 ASN : amide:sc= -0.758 K(o=-0.76,f=-1.7!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -2.95! K(o=-3!,f=-0.56) USER MOD Single : A 44 ASN : amide:sc= -5.28! C(o=-5.3!,f=-12!) USER MOD Single : A 47 SER OG : rot -120:sc= -0.0299 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.0614 X(o=-0.061,f=-0.06) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.04! C(o=-3!,f=-7.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.216 K(o=0.22,f=-5.4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.352 K(o=-0.35,f=-3.8!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= -1.68! C(o=-1.7!,f=-4.9!) USER MOD Single : A 82 GLN : amide:sc= -0.305 K(o=-0.3,f=-5.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 100:sc= -1.6 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 25:sc= 0.855 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot -25:sc= 0.894 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -165:sc= -0.0109 (180deg=-0.215) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 130:sc= -0.979 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.584 USER MOD Single : A 128 GLN : amide:sc= -0.706 K(o=-0.71,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -9.597 13.457 -4.896 1.00 0.00 N ATOM 67 CA VAL A 8 -8.542 12.453 -4.958 1.00 0.00 C ATOM 68 C VAL A 8 -8.649 11.621 -6.231 1.00 0.00 C ATOM 69 O VAL A 8 -9.693 11.032 -6.515 1.00 0.00 O ATOM 70 CB VAL A 8 -8.589 11.513 -3.738 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.470 10.485 -3.813 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.504 12.313 -2.447 1.00 0.00 C ATOM 0 HA VAL A 8 -7.594 12.990 -4.957 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.540 10.980 -3.747 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.519 9.830 -2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.581 9.892 -4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.507 10.996 -3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.539 11.634 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.569 12.873 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.343 13.006 -2.393 1.00 0.00 H new ATOM 82 N LYS A 9 -7.563 11.576 -6.995 1.00 0.00 N ATOM 83 CA LYS A 9 -7.533 10.814 -8.238 1.00 0.00 C ATOM 84 C LYS A 9 -7.056 9.387 -7.990 1.00 0.00 C ATOM 85 O LYS A 9 -6.376 9.112 -7.002 1.00 0.00 O ATOM 86 CB LYS A 9 -6.619 11.499 -9.257 1.00 0.00 C ATOM 87 CG LYS A 9 -7.236 12.731 -9.896 1.00 0.00 C ATOM 88 CD LYS A 9 -6.413 13.217 -11.077 1.00 0.00 C ATOM 89 CE LYS A 9 -6.721 12.422 -12.337 1.00 0.00 C ATOM 90 NZ LYS A 9 -6.346 13.169 -13.570 1.00 0.00 N ATOM 0 H LYS A 9 -6.692 12.058 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.547 10.775 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.689 11.783 -8.765 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.361 10.785 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.249 12.502 -10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.315 13.526 -9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.616 14.273 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.352 13.132 -10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.183 11.474 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.784 12.184 -12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.572 12.594 -14.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.878 14.062 -13.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.326 13.374 -13.555 1.00 0.00 H new ATOM 104 N PHE A 10 -7.417 8.482 -8.894 1.00 0.00 N ATOM 105 CA PHE A 10 -7.026 7.082 -8.774 1.00 0.00 C ATOM 106 C PHE A 10 -5.798 6.785 -9.630 1.00 0.00 C ATOM 107 O PHE A 10 -5.424 7.578 -10.496 1.00 0.00 O ATOM 108 CB PHE A 10 -8.183 6.170 -9.186 1.00 0.00 C ATOM 109 CG PHE A 10 -9.363 6.243 -8.261 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.204 6.059 -6.897 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.633 6.498 -8.755 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.289 6.125 -6.044 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.722 6.566 -7.906 1.00 0.00 C ATOM 114 CZ PHE A 10 -11.549 6.380 -6.549 1.00 0.00 C ATOM 0 H PHE A 10 -7.980 8.693 -9.718 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.775 6.889 -7.731 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.504 6.436 -10.193 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.827 5.141 -9.227 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.221 5.862 -6.496 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.773 6.645 -9.816 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.152 5.977 -4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.706 6.764 -8.304 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.398 6.434 -5.883 1.00 0.00 H new ATOM 124 N LEU A 11 -5.175 5.638 -9.382 1.00 0.00 N ATOM 125 CA LEU A 11 -3.989 5.235 -10.130 1.00 0.00 C ATOM 126 C LEU A 11 -3.093 6.435 -10.418 1.00 0.00 C ATOM 127 O LEU A 11 -2.589 6.595 -11.531 1.00 0.00 O ATOM 128 CB LEU A 11 -4.394 4.559 -11.441 1.00 0.00 C ATOM 129 CG LEU A 11 -5.096 3.207 -11.310 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.364 2.610 -12.683 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.264 2.253 -10.465 1.00 0.00 C ATOM 0 H LEU A 11 -5.471 4.971 -8.669 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.429 4.525 -9.521 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.051 5.236 -11.988 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.499 4.424 -12.048 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.052 3.363 -10.811 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.864 1.648 -12.570 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.000 3.285 -13.255 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.420 2.469 -13.209 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.779 1.296 -10.383 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.293 2.103 -10.936 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.123 2.676 -9.470 1.00 0.00 H new ATOM 143 N THR A 12 -2.897 7.277 -9.409 1.00 0.00 N ATOM 144 CA THR A 12 -2.061 8.462 -9.553 1.00 0.00 C ATOM 145 C THR A 12 -1.344 8.792 -8.249 1.00 0.00 C ATOM 146 O THR A 12 -1.970 8.891 -7.193 1.00 0.00 O ATOM 147 CB THR A 12 -2.889 9.684 -9.994 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.067 9.793 -9.187 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.280 9.572 -11.460 1.00 0.00 C ATOM 0 H THR A 12 -3.306 7.160 -8.482 1.00 0.00 H new ATOM 0 HA THR A 12 -1.323 8.236 -10.323 1.00 0.00 H new ATOM 0 HB THR A 12 -2.277 10.577 -9.865 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.726 9.129 -9.479 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.864 10.446 -11.749 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.381 9.518 -12.073 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.876 8.672 -11.610 1.00 0.00 H new ATOM 157 N VAL A 13 -0.028 8.964 -8.328 1.00 0.00 N ATOM 158 CA VAL A 13 0.773 9.285 -7.154 1.00 0.00 C ATOM 159 C VAL A 13 0.464 10.688 -6.644 1.00 0.00 C ATOM 160 O VAL A 13 0.865 11.681 -7.249 1.00 0.00 O ATOM 161 CB VAL A 13 2.280 9.181 -7.457 1.00 0.00 C ATOM 162 CG1 VAL A 13 3.098 9.661 -6.268 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.651 7.753 -7.829 1.00 0.00 C ATOM 0 H VAL A 13 0.506 8.886 -9.194 1.00 0.00 H new ATOM 0 HA VAL A 13 0.513 8.557 -6.385 1.00 0.00 H new ATOM 0 HB VAL A 13 2.508 9.824 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.160 9.580 -6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.852 10.701 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.869 9.046 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.719 7.698 -8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.410 7.087 -7.001 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.090 7.450 -8.713 1.00 0.00 H new ATOM 173 N ASN A 14 -0.252 10.761 -5.527 1.00 0.00 N ATOM 174 CA ASN A 14 -0.616 12.044 -4.935 1.00 0.00 C ATOM 175 C ASN A 14 0.488 12.549 -4.010 1.00 0.00 C ATOM 176 O ASN A 14 0.825 11.901 -3.019 1.00 0.00 O ATOM 177 CB ASN A 14 -1.929 11.917 -4.159 1.00 0.00 C ATOM 178 CG ASN A 14 -3.013 11.229 -4.966 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.244 11.563 -6.128 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.684 10.262 -4.351 1.00 0.00 N ATOM 0 H ASN A 14 -0.592 9.948 -5.013 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.747 12.765 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.753 11.357 -3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.272 12.909 -3.866 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.425 9.763 -4.843 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.458 10.018 -3.387 1.00 0.00 H new ATOM 187 N ASP A 15 1.045 13.708 -4.342 1.00 0.00 N ATOM 188 CA ASP A 15 2.110 14.301 -3.541 1.00 0.00 C ATOM 189 C ASP A 15 1.820 14.145 -2.051 1.00 0.00 C ATOM 190 O ASP A 15 2.680 13.714 -1.283 1.00 0.00 O ATOM 191 CB ASP A 15 2.274 15.781 -3.889 1.00 0.00 C ATOM 192 CG ASP A 15 3.704 16.259 -3.725 1.00 0.00 C ATOM 193 OD1 ASP A 15 4.395 15.760 -2.812 1.00 0.00 O ATOM 194 OD2 ASP A 15 4.131 17.131 -4.510 1.00 0.00 O ATOM 0 H ASP A 15 0.777 14.256 -5.160 1.00 0.00 H new ATOM 0 HA ASP A 15 3.038 13.777 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.954 15.947 -4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.620 16.376 -3.252 1.00 0.00 H new ATOM 199 N ASP A 16 0.604 14.500 -1.650 1.00 0.00 N ATOM 200 CA ASP A 16 0.201 14.400 -0.252 1.00 0.00 C ATOM 201 C ASP A 16 0.874 13.210 0.424 1.00 0.00 C ATOM 202 O ASP A 16 0.428 12.070 0.285 1.00 0.00 O ATOM 203 CB ASP A 16 -1.320 14.269 -0.146 1.00 0.00 C ATOM 204 CG ASP A 16 -2.045 15.472 -0.717 1.00 0.00 C ATOM 205 OD1 ASP A 16 -2.029 15.643 -1.954 1.00 0.00 O ATOM 206 OD2 ASP A 16 -2.631 16.241 0.073 1.00 0.00 O ATOM 0 H ASP A 16 -0.119 14.859 -2.273 1.00 0.00 H new ATOM 0 HA ASP A 16 0.517 15.310 0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.642 13.371 -0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.599 14.143 0.900 1.00 0.00 H new ATOM 211 N ILE A 17 1.950 13.482 1.154 1.00 0.00 N ATOM 212 CA ILE A 17 2.684 12.433 1.852 1.00 0.00 C ATOM 213 C ILE A 17 2.047 12.120 3.201 1.00 0.00 C ATOM 214 O ILE A 17 1.722 13.024 3.971 1.00 0.00 O ATOM 215 CB ILE A 17 4.157 12.828 2.071 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.252 14.014 3.034 1.00 0.00 C ATOM 217 CG2 ILE A 17 4.819 13.163 0.743 1.00 0.00 C ATOM 218 CD1 ILE A 17 5.672 14.453 3.313 1.00 0.00 C ATOM 0 H ILE A 17 2.333 14.419 1.278 1.00 0.00 H new ATOM 0 HA ILE A 17 2.644 11.546 1.220 1.00 0.00 H new ATOM 0 HB ILE A 17 4.683 11.982 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.695 14.854 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.771 13.747 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.859 13.440 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.779 12.294 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.294 13.996 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.663 15.297 4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.227 13.627 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.150 14.752 2.380 1.00 0.00 H new ATOM 230 N LEU A 18 1.874 10.834 3.482 1.00 0.00 N ATOM 231 CA LEU A 18 1.277 10.399 4.741 1.00 0.00 C ATOM 232 C LEU A 18 1.749 8.997 5.112 1.00 0.00 C ATOM 233 O LEU A 18 1.932 8.143 4.245 1.00 0.00 O ATOM 234 CB LEU A 18 -0.249 10.426 4.640 1.00 0.00 C ATOM 235 CG LEU A 18 -0.899 11.809 4.657 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.403 11.695 4.463 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.581 12.532 5.958 1.00 0.00 C ATOM 0 H LEU A 18 2.138 10.073 2.856 1.00 0.00 H new ATOM 0 HA LEU A 18 1.596 11.088 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.541 9.921 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.658 9.844 5.466 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.490 12.391 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.848 12.690 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.611 11.219 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.829 11.095 5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.052 13.515 5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.961 11.952 6.799 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.498 12.647 6.056 1.00 0.00 H new ATOM 249 N SER A 19 1.943 8.768 6.407 1.00 0.00 N ATOM 250 CA SER A 19 2.396 7.470 6.894 1.00 0.00 C ATOM 251 C SER A 19 1.474 6.356 6.408 1.00 0.00 C ATOM 252 O SER A 19 0.321 6.600 6.052 1.00 0.00 O ATOM 253 CB SER A 19 2.456 7.467 8.423 1.00 0.00 C ATOM 254 OG SER A 19 1.155 7.506 8.984 1.00 0.00 O ATOM 0 H SER A 19 1.794 9.464 7.138 1.00 0.00 H new ATOM 0 HA SER A 19 3.396 7.290 6.498 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.978 6.574 8.768 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.031 8.326 8.769 1.00 0.00 H new ATOM 0 HG SER A 19 1.220 7.662 9.949 1.00 0.00 H new ATOM 260 N MET A 20 1.990 5.131 6.397 1.00 0.00 N ATOM 261 CA MET A 20 1.213 3.978 5.956 1.00 0.00 C ATOM 262 C MET A 20 -0.156 3.957 6.627 1.00 0.00 C ATOM 263 O MET A 20 -1.194 3.852 5.973 1.00 0.00 O ATOM 264 CB MET A 20 1.965 2.682 6.263 1.00 0.00 C ATOM 265 CG MET A 20 1.762 1.599 5.216 1.00 0.00 C ATOM 266 SD MET A 20 0.377 0.511 5.602 1.00 0.00 S ATOM 267 CE MET A 20 -0.191 0.089 3.957 1.00 0.00 C ATOM 0 H MET A 20 2.942 4.911 6.688 1.00 0.00 H new ATOM 0 HA MET A 20 1.068 4.059 4.879 1.00 0.00 H new ATOM 0 HB2 MET A 20 3.030 2.900 6.346 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.640 2.304 7.232 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.593 2.065 4.245 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.672 1.006 5.131 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.273 -0.046 3.969 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.067 0.892 3.266 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.287 -0.836 3.633 1.00 0.00 H new ATOM 277 N PRO A 21 -0.162 4.058 7.965 1.00 0.00 N ATOM 278 CA PRO A 21 -1.398 4.052 8.753 1.00 0.00 C ATOM 279 C PRO A 21 -2.217 5.323 8.556 1.00 0.00 C ATOM 280 O PRO A 21 -3.308 5.461 9.110 1.00 0.00 O ATOM 281 CB PRO A 21 -0.897 3.958 10.197 1.00 0.00 C ATOM 282 CG PRO A 21 0.475 4.537 10.160 1.00 0.00 C ATOM 283 CD PRO A 21 1.037 4.186 8.810 1.00 0.00 C ATOM 0 HA PRO A 21 -2.062 3.238 8.463 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.543 4.513 10.877 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.882 2.925 10.544 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.446 5.617 10.302 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.093 4.127 10.959 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.708 4.961 8.440 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.608 3.258 8.841 1.00 0.00 H new ATOM 291 N GLN A 22 -1.685 6.248 7.763 1.00 0.00 N ATOM 292 CA GLN A 22 -2.368 7.507 7.494 1.00 0.00 C ATOM 293 C GLN A 22 -2.889 7.548 6.061 1.00 0.00 C ATOM 294 O GLN A 22 -3.921 8.158 5.783 1.00 0.00 O ATOM 295 CB GLN A 22 -1.426 8.686 7.740 1.00 0.00 C ATOM 296 CG GLN A 22 -1.272 9.046 9.209 1.00 0.00 C ATOM 297 CD GLN A 22 -2.546 9.611 9.807 1.00 0.00 C ATOM 298 OE1 GLN A 22 -3.265 8.921 10.530 1.00 0.00 O ATOM 299 NE2 GLN A 22 -2.831 10.873 9.509 1.00 0.00 N ATOM 0 H GLN A 22 -0.784 6.149 7.296 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.217 7.582 8.173 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.445 8.449 7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.797 9.556 7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.975 8.158 9.768 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.469 9.775 9.319 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.207 11.408 8.906 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.674 11.308 9.884 1.00 0.00 H new ATOM 308 N ALA A 23 -2.168 6.895 5.156 1.00 0.00 N ATOM 309 CA ALA A 23 -2.558 6.856 3.752 1.00 0.00 C ATOM 310 C ALA A 23 -3.745 5.923 3.538 1.00 0.00 C ATOM 311 O ALA A 23 -4.833 6.362 3.166 1.00 0.00 O ATOM 312 CB ALA A 23 -1.382 6.423 2.889 1.00 0.00 C ATOM 0 H ALA A 23 -1.311 6.386 5.370 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.861 7.861 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.688 6.398 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.562 7.130 3.011 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.053 5.430 3.194 1.00 0.00 H new ATOM 318 N ARG A 24 -3.528 4.633 3.775 1.00 0.00 N ATOM 319 CA ARG A 24 -4.580 3.638 3.606 1.00 0.00 C ATOM 320 C ARG A 24 -5.883 4.110 4.245 1.00 0.00 C ATOM 321 O ARG A 24 -6.970 3.827 3.743 1.00 0.00 O ATOM 322 CB ARG A 24 -4.152 2.304 4.221 1.00 0.00 C ATOM 323 CG ARG A 24 -3.973 2.358 5.729 1.00 0.00 C ATOM 324 CD ARG A 24 -3.433 1.044 6.273 1.00 0.00 C ATOM 325 NE ARG A 24 -4.427 -0.024 6.209 1.00 0.00 N ATOM 326 CZ ARG A 24 -4.326 -1.163 6.885 1.00 0.00 C ATOM 327 NH1 ARG A 24 -3.281 -1.380 7.672 1.00 0.00 N ATOM 328 NH2 ARG A 24 -5.271 -2.088 6.774 1.00 0.00 N ATOM 0 H ARG A 24 -2.633 4.253 4.084 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.748 3.501 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.897 1.546 3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.215 1.987 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.290 3.168 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.929 2.584 6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.550 0.752 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.116 1.183 7.307 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.243 0.112 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.552 -0.671 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.206 -2.255 8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.076 -1.925 6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.192 -2.962 7.294 1.00 0.00 H new ATOM 342 N ASN A 25 -5.764 4.831 5.355 1.00 0.00 N ATOM 343 CA ASN A 25 -6.932 5.341 6.064 1.00 0.00 C ATOM 344 C ASN A 25 -7.577 6.489 5.293 1.00 0.00 C ATOM 345 O ASN A 25 -8.797 6.659 5.316 1.00 0.00 O ATOM 346 CB ASN A 25 -6.540 5.811 7.466 1.00 0.00 C ATOM 347 CG ASN A 25 -7.453 6.904 7.986 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.674 6.827 7.845 1.00 0.00 O ATOM 349 ND2 ASN A 25 -6.865 7.928 8.593 1.00 0.00 N ATOM 0 H ASN A 25 -4.871 5.075 5.783 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.656 4.531 6.150 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.566 4.963 8.151 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.513 6.176 7.450 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.429 8.692 8.965 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.850 7.950 8.687 1.00 0.00 H new ATOM 356 N PHE A 26 -6.751 7.273 4.609 1.00 0.00 N ATOM 357 CA PHE A 26 -7.240 8.405 3.831 1.00 0.00 C ATOM 358 C PHE A 26 -8.020 7.929 2.609 1.00 0.00 C ATOM 359 O PHE A 26 -9.211 8.208 2.471 1.00 0.00 O ATOM 360 CB PHE A 26 -6.073 9.292 3.391 1.00 0.00 C ATOM 361 CG PHE A 26 -6.462 10.342 2.390 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.527 10.041 1.040 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.762 11.631 2.801 1.00 0.00 C ATOM 364 CE1 PHE A 26 -6.884 11.006 0.117 1.00 0.00 C ATOM 365 CE2 PHE A 26 -7.120 12.600 1.883 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.182 12.287 0.539 1.00 0.00 C ATOM 0 H PHE A 26 -5.740 7.145 4.578 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.910 8.986 4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.646 9.778 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.292 8.664 2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.296 9.041 0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.715 11.881 3.851 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.930 10.759 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.351 13.601 2.216 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.463 13.042 -0.180 1.00 0.00 H new ATOM 376 N CYS A 27 -7.339 7.209 1.724 1.00 0.00 N ATOM 377 CA CYS A 27 -7.966 6.693 0.512 1.00 0.00 C ATOM 378 C CYS A 27 -9.381 6.199 0.800 1.00 0.00 C ATOM 379 O CYS A 27 -10.289 6.382 -0.010 1.00 0.00 O ATOM 380 CB CYS A 27 -7.127 5.557 -0.077 1.00 0.00 C ATOM 381 SG CYS A 27 -5.709 6.119 -1.073 1.00 0.00 S ATOM 0 H CYS A 27 -6.353 6.969 1.823 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.024 7.506 -0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.761 4.931 0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.768 4.931 -0.698 1.00 0.00 H new ATOM 386 N ALA A 28 -9.559 5.574 1.958 1.00 0.00 N ATOM 387 CA ALA A 28 -10.863 5.056 2.354 1.00 0.00 C ATOM 388 C ALA A 28 -11.891 6.177 2.457 1.00 0.00 C ATOM 389 O ALA A 28 -12.994 6.073 1.919 1.00 0.00 O ATOM 390 CB ALA A 28 -10.756 4.312 3.677 1.00 0.00 C ATOM 0 H ALA A 28 -8.817 5.414 2.639 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.199 4.360 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.737 3.931 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.060 3.480 3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.394 4.992 4.448 1.00 0.00 H new ATOM 396 N SER A 29 -11.523 7.250 3.151 1.00 0.00 N ATOM 397 CA SER A 29 -12.416 8.389 3.327 1.00 0.00 C ATOM 398 C SER A 29 -12.803 8.990 1.980 1.00 0.00 C ATOM 399 O SER A 29 -13.965 9.322 1.747 1.00 0.00 O ATOM 400 CB SER A 29 -11.751 9.454 4.201 1.00 0.00 C ATOM 401 OG SER A 29 -12.716 10.189 4.934 1.00 0.00 O ATOM 0 H SER A 29 -10.613 7.354 3.600 1.00 0.00 H new ATOM 0 HA SER A 29 -13.321 8.036 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.052 8.979 4.889 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.171 10.132 3.575 1.00 0.00 H new ATOM 0 HG SER A 29 -12.265 10.862 5.486 1.00 0.00 H new ATOM 407 N ALA A 30 -11.821 9.126 1.095 1.00 0.00 N ATOM 408 CA ALA A 30 -12.058 9.685 -0.230 1.00 0.00 C ATOM 409 C ALA A 30 -12.999 8.799 -1.039 1.00 0.00 C ATOM 410 O ALA A 30 -13.896 9.291 -1.722 1.00 0.00 O ATOM 411 CB ALA A 30 -10.740 9.870 -0.968 1.00 0.00 C ATOM 0 H ALA A 30 -10.853 8.856 1.272 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.533 10.658 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.932 10.288 -1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.100 10.549 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.243 8.906 -1.072 1.00 0.00 H new ATOM 417 N GLY A 31 -12.787 7.489 -0.957 1.00 0.00 N ATOM 418 CA GLY A 31 -13.625 6.555 -1.688 1.00 0.00 C ATOM 419 C GLY A 31 -12.818 5.485 -2.397 1.00 0.00 C ATOM 420 O GLY A 31 -13.156 5.077 -3.507 1.00 0.00 O ATOM 0 H GLY A 31 -12.051 7.058 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.324 6.082 -0.998 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.220 7.101 -2.420 1.00 0.00 H new ATOM 424 N GLY A 32 -11.746 5.031 -1.754 1.00 0.00 N ATOM 425 CA GLY A 32 -10.905 4.007 -2.347 1.00 0.00 C ATOM 426 C GLY A 32 -9.935 3.406 -1.349 1.00 0.00 C ATOM 427 O GLY A 32 -10.134 3.509 -0.139 1.00 0.00 O ATOM 0 H GLY A 32 -11.445 5.354 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.534 3.218 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.347 4.436 -3.179 1.00 0.00 H new ATOM 431 N TYR A 33 -8.882 2.774 -1.858 1.00 0.00 N ATOM 432 CA TYR A 33 -7.880 2.150 -1.003 1.00 0.00 C ATOM 433 C TYR A 33 -6.562 1.969 -1.751 1.00 0.00 C ATOM 434 O TYR A 33 -6.517 2.042 -2.980 1.00 0.00 O ATOM 435 CB TYR A 33 -8.382 0.797 -0.497 1.00 0.00 C ATOM 436 CG TYR A 33 -9.013 -0.056 -1.574 1.00 0.00 C ATOM 437 CD1 TYR A 33 -8.288 -0.446 -2.693 1.00 0.00 C ATOM 438 CD2 TYR A 33 -10.334 -0.474 -1.471 1.00 0.00 C ATOM 439 CE1 TYR A 33 -8.861 -1.224 -3.680 1.00 0.00 C ATOM 440 CE2 TYR A 33 -10.915 -1.254 -2.452 1.00 0.00 C ATOM 441 CZ TYR A 33 -10.175 -1.626 -3.555 1.00 0.00 C ATOM 442 OH TYR A 33 -10.749 -2.403 -4.535 1.00 0.00 O ATOM 0 H TYR A 33 -8.701 2.681 -2.858 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.706 2.807 -0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.548 0.252 -0.055 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.110 0.963 0.297 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.258 -0.135 -2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.917 -0.184 -0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -8.284 -1.516 -4.545 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.943 -1.571 -2.356 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.678 -2.600 -4.294 1.00 0.00 H new ATOM 452 N LEU A 34 -5.492 1.731 -1.001 1.00 0.00 N ATOM 453 CA LEU A 34 -4.172 1.538 -1.592 1.00 0.00 C ATOM 454 C LEU A 34 -4.246 0.609 -2.799 1.00 0.00 C ATOM 455 O LEU A 34 -4.874 -0.448 -2.743 1.00 0.00 O ATOM 456 CB LEU A 34 -3.205 0.967 -0.553 1.00 0.00 C ATOM 457 CG LEU A 34 -2.643 1.965 0.461 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.026 1.234 1.643 1.00 0.00 C ATOM 459 CD2 LEU A 34 -1.619 2.876 -0.199 1.00 0.00 C ATOM 0 H LEU A 34 -5.512 1.667 0.017 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.805 2.509 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.716 0.174 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.370 0.505 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.463 2.581 0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.631 1.960 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.786 0.624 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.217 0.593 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.230 3.579 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.800 2.276 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.092 3.427 -1.012 1.00 0.00 H new ATOM 471 N ALA A 35 -3.599 1.010 -3.888 1.00 0.00 N ATOM 472 CA ALA A 35 -3.588 0.211 -5.108 1.00 0.00 C ATOM 473 C ALA A 35 -2.531 -0.886 -5.035 1.00 0.00 C ATOM 474 O ALA A 35 -1.333 -0.607 -5.012 1.00 0.00 O ATOM 475 CB ALA A 35 -3.347 1.100 -6.319 1.00 0.00 C ATOM 0 H ALA A 35 -3.076 1.883 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.563 -0.266 -5.210 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.341 0.490 -7.223 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.141 1.844 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.386 1.604 -6.215 1.00 0.00 H new ATOM 481 N ASP A 36 -2.983 -2.135 -5.000 1.00 0.00 N ATOM 482 CA ASP A 36 -2.076 -3.275 -4.931 1.00 0.00 C ATOM 483 C ASP A 36 -1.251 -3.391 -6.208 1.00 0.00 C ATOM 484 O ASP A 36 -1.568 -2.769 -7.223 1.00 0.00 O ATOM 485 CB ASP A 36 -2.863 -4.566 -4.698 1.00 0.00 C ATOM 486 CG ASP A 36 -4.112 -4.645 -5.554 1.00 0.00 C ATOM 487 OD1 ASP A 36 -3.989 -4.961 -6.756 1.00 0.00 O ATOM 488 OD2 ASP A 36 -5.212 -4.393 -5.021 1.00 0.00 O ATOM 0 H ASP A 36 -3.972 -2.384 -5.018 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.396 -3.117 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.223 -5.422 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.142 -4.633 -3.646 1.00 0.00 H new ATOM 493 N ASP A 37 -0.191 -4.189 -6.151 1.00 0.00 N ATOM 494 CA ASP A 37 0.681 -4.387 -7.303 1.00 0.00 C ATOM 495 C ASP A 37 0.996 -5.866 -7.499 1.00 0.00 C ATOM 496 O ASP A 37 2.098 -6.324 -7.194 1.00 0.00 O ATOM 497 CB ASP A 37 1.978 -3.595 -7.130 1.00 0.00 C ATOM 498 CG ASP A 37 1.801 -2.120 -7.430 1.00 0.00 C ATOM 499 OD1 ASP A 37 0.678 -1.607 -7.242 1.00 0.00 O ATOM 500 OD2 ASP A 37 2.786 -1.478 -7.851 1.00 0.00 O ATOM 0 H ASP A 37 0.086 -4.710 -5.319 1.00 0.00 H new ATOM 0 HA ASP A 37 0.159 -4.025 -8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.339 -3.714 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.742 -4.007 -7.789 1.00 0.00 H new ATOM 505 N LEU A 38 0.021 -6.610 -8.009 1.00 0.00 N ATOM 506 CA LEU A 38 0.193 -8.040 -8.246 1.00 0.00 C ATOM 507 C LEU A 38 -0.078 -8.387 -9.706 1.00 0.00 C ATOM 508 O LEU A 38 -1.221 -8.616 -10.099 1.00 0.00 O ATOM 509 CB LEU A 38 -0.740 -8.843 -7.338 1.00 0.00 C ATOM 510 CG LEU A 38 -2.215 -8.441 -7.368 1.00 0.00 C ATOM 511 CD1 LEU A 38 -3.100 -9.632 -7.033 1.00 0.00 C ATOM 512 CD2 LEU A 38 -2.475 -7.293 -6.403 1.00 0.00 C ATOM 0 H LEU A 38 -0.897 -6.247 -8.267 1.00 0.00 H new ATOM 0 HA LEU A 38 1.226 -8.299 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.665 -9.895 -7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.381 -8.755 -6.313 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.459 -8.105 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.146 -9.327 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.935 -10.425 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.854 -9.999 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.530 -7.020 -6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.213 -7.602 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.868 -6.433 -6.688 1.00 0.00 H new ATOM 524 N GLY A 39 0.984 -8.426 -10.506 1.00 0.00 N ATOM 525 CA GLY A 39 0.840 -8.748 -11.914 1.00 0.00 C ATOM 526 C GLY A 39 1.868 -8.044 -12.778 1.00 0.00 C ATOM 527 O GLY A 39 1.903 -6.815 -12.836 1.00 0.00 O ATOM 0 H GLY A 39 1.941 -8.240 -10.204 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.934 -9.826 -12.048 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.160 -8.471 -12.246 1.00 0.00 H new ATOM 531 N ASP A 40 2.708 -8.825 -13.449 1.00 0.00 N ATOM 532 CA ASP A 40 3.742 -8.269 -14.314 1.00 0.00 C ATOM 533 C ASP A 40 3.251 -7.000 -15.003 1.00 0.00 C ATOM 534 O ASP A 40 4.005 -6.042 -15.173 1.00 0.00 O ATOM 535 CB ASP A 40 4.170 -9.300 -15.360 1.00 0.00 C ATOM 536 CG ASP A 40 4.335 -10.687 -14.772 1.00 0.00 C ATOM 537 OD1 ASP A 40 4.676 -10.788 -13.575 1.00 0.00 O ATOM 538 OD2 ASP A 40 4.122 -11.673 -15.509 1.00 0.00 O ATOM 0 H ASP A 40 2.693 -9.844 -13.410 1.00 0.00 H new ATOM 0 HA ASP A 40 4.601 -8.014 -13.694 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.428 -9.333 -16.158 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.111 -8.986 -15.812 1.00 0.00 H new ATOM 543 N ASP A 41 1.983 -7.002 -15.399 1.00 0.00 N ATOM 544 CA ASP A 41 1.390 -5.851 -16.071 1.00 0.00 C ATOM 545 C ASP A 41 1.150 -4.711 -15.085 1.00 0.00 C ATOM 546 O ASP A 41 1.594 -3.584 -15.303 1.00 0.00 O ATOM 547 CB ASP A 41 0.074 -6.247 -16.742 1.00 0.00 C ATOM 548 CG ASP A 41 -0.859 -6.981 -15.799 1.00 0.00 C ATOM 549 OD1 ASP A 41 -0.435 -8.004 -15.223 1.00 0.00 O ATOM 550 OD2 ASP A 41 -2.014 -6.533 -15.638 1.00 0.00 O ATOM 0 H ASP A 41 1.346 -7.787 -15.266 1.00 0.00 H new ATOM 0 HA ASP A 41 2.088 -5.507 -16.834 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.423 -5.352 -17.117 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.285 -6.879 -17.605 1.00 0.00 H new ATOM 555 N LYS A 42 0.443 -5.012 -14.001 1.00 0.00 N ATOM 556 CA LYS A 42 0.143 -4.014 -12.981 1.00 0.00 C ATOM 557 C LYS A 42 1.414 -3.310 -12.519 1.00 0.00 C ATOM 558 O LYS A 42 1.500 -2.083 -12.547 1.00 0.00 O ATOM 559 CB LYS A 42 -0.553 -4.670 -11.786 1.00 0.00 C ATOM 560 CG LYS A 42 -1.303 -3.686 -10.905 1.00 0.00 C ATOM 561 CD LYS A 42 -2.571 -3.188 -11.578 1.00 0.00 C ATOM 562 CE LYS A 42 -3.019 -1.853 -11.004 1.00 0.00 C ATOM 563 NZ LYS A 42 -2.390 -0.705 -11.714 1.00 0.00 N ATOM 0 H LYS A 42 0.067 -5.940 -13.806 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.524 -3.271 -13.419 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.251 -5.423 -12.151 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.191 -5.191 -11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.556 -4.164 -9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.657 -2.839 -10.672 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.399 -3.085 -12.649 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.365 -3.924 -11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.104 -1.773 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.764 -1.809 -9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.678 -0.264 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.932 -1.044 -12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.120 -0.005 -11.956 1.00 0.00 H new ATOM 577 N ASN A 43 2.399 -4.094 -12.095 1.00 0.00 N ATOM 578 CA ASN A 43 3.667 -3.545 -11.627 1.00 0.00 C ATOM 579 C ASN A 43 4.369 -2.773 -12.740 1.00 0.00 C ATOM 580 O ASN A 43 4.832 -1.652 -12.535 1.00 0.00 O ATOM 581 CB ASN A 43 4.575 -4.665 -11.117 1.00 0.00 C ATOM 582 CG ASN A 43 6.025 -4.233 -11.016 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.523 -3.941 -9.928 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.710 -4.190 -12.152 1.00 0.00 N ATOM 0 H ASN A 43 2.344 -5.112 -12.066 1.00 0.00 H new ATOM 0 HA ASN A 43 3.456 -2.857 -10.808 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.227 -4.993 -10.137 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.500 -5.523 -11.786 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.690 -3.906 -12.146 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.257 -4.441 -13.031 1.00 0.00 H new ATOM 591 N ASN A 44 4.442 -3.382 -13.919 1.00 0.00 N ATOM 592 CA ASN A 44 5.088 -2.752 -15.066 1.00 0.00 C ATOM 593 C ASN A 44 4.508 -1.364 -15.321 1.00 0.00 C ATOM 594 O ASN A 44 5.243 -0.409 -15.573 1.00 0.00 O ATOM 595 CB ASN A 44 4.923 -3.623 -16.312 1.00 0.00 C ATOM 596 CG ASN A 44 5.945 -4.742 -16.375 1.00 0.00 C ATOM 597 OD1 ASN A 44 7.033 -4.636 -15.809 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.598 -5.821 -17.066 1.00 0.00 N ATOM 0 H ASN A 44 4.062 -4.310 -14.106 1.00 0.00 H new ATOM 0 HA ASN A 44 6.150 -2.648 -14.842 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.920 -4.050 -16.323 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.015 -3.000 -17.202 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.244 -6.606 -17.144 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.685 -5.865 -17.519 1.00 0.00 H new ATOM 605 N PHE A 45 3.185 -1.260 -15.254 1.00 0.00 N ATOM 606 CA PHE A 45 2.506 0.011 -15.478 1.00 0.00 C ATOM 607 C PHE A 45 2.919 1.041 -14.431 1.00 0.00 C ATOM 608 O PHE A 45 3.156 2.207 -14.750 1.00 0.00 O ATOM 609 CB PHE A 45 0.989 -0.184 -15.447 1.00 0.00 C ATOM 610 CG PHE A 45 0.227 1.081 -15.176 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.151 1.915 -16.217 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.112 1.438 -13.881 1.00 0.00 C ATOM 613 CE1 PHE A 45 -0.852 3.080 -15.971 1.00 0.00 C ATOM 614 CE2 PHE A 45 -0.814 2.602 -13.629 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.183 3.424 -14.676 1.00 0.00 C ATOM 0 H PHE A 45 2.562 -2.040 -15.046 1.00 0.00 H new ATOM 0 HA PHE A 45 2.798 0.381 -16.461 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.664 -0.597 -16.402 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.741 -0.919 -14.681 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.106 1.651 -17.232 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.176 0.800 -13.059 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.141 3.721 -16.791 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.074 2.868 -12.615 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.730 4.335 -14.481 1.00 0.00 H new ATOM 625 N TYR A 46 3.003 0.603 -13.180 1.00 0.00 N ATOM 626 CA TYR A 46 3.385 1.486 -12.085 1.00 0.00 C ATOM 627 C TYR A 46 4.832 1.944 -12.233 1.00 0.00 C ATOM 628 O TYR A 46 5.128 3.137 -12.166 1.00 0.00 O ATOM 629 CB TYR A 46 3.197 0.778 -10.742 1.00 0.00 C ATOM 630 CG TYR A 46 1.794 0.889 -10.189 1.00 0.00 C ATOM 631 CD1 TYR A 46 1.153 2.119 -10.110 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.109 -0.236 -9.747 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.129 2.226 -9.606 1.00 0.00 C ATOM 634 CE2 TYR A 46 -0.173 -0.139 -9.242 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.787 1.094 -9.173 1.00 0.00 C ATOM 636 OH TYR A 46 -2.065 1.195 -8.671 1.00 0.00 O ATOM 0 H TYR A 46 2.812 -0.359 -12.899 1.00 0.00 H new ATOM 0 HA TYR A 46 2.740 2.364 -12.119 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.450 -0.276 -10.858 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.897 1.196 -10.019 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.666 3.007 -10.448 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.587 -1.203 -9.799 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.613 3.190 -9.551 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.692 -1.024 -8.903 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.263 2.133 -8.468 1.00 0.00 H new ATOM 646 N SER A 47 5.731 0.986 -12.436 1.00 0.00 N ATOM 647 CA SER A 47 7.149 1.289 -12.591 1.00 0.00 C ATOM 648 C SER A 47 7.352 2.476 -13.528 1.00 0.00 C ATOM 649 O SER A 47 8.334 3.209 -13.415 1.00 0.00 O ATOM 650 CB SER A 47 7.898 0.067 -13.127 1.00 0.00 C ATOM 651 OG SER A 47 9.300 0.236 -13.009 1.00 0.00 O ATOM 0 H SER A 47 5.503 -0.006 -12.497 1.00 0.00 H new ATOM 0 HA SER A 47 7.549 1.550 -11.611 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.588 -0.823 -12.579 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.635 -0.095 -14.172 1.00 0.00 H new ATOM 0 HG SER A 47 9.711 0.189 -13.897 1.00 0.00 H new ATOM 657 N SER A 48 6.415 2.658 -14.453 1.00 0.00 N ATOM 658 CA SER A 48 6.492 3.753 -15.413 1.00 0.00 C ATOM 659 C SER A 48 6.182 5.087 -14.741 1.00 0.00 C ATOM 660 O SER A 48 7.011 5.997 -14.734 1.00 0.00 O ATOM 661 CB SER A 48 5.519 3.513 -16.570 1.00 0.00 C ATOM 662 OG SER A 48 5.974 4.141 -17.756 1.00 0.00 O ATOM 0 H SER A 48 5.594 2.062 -14.558 1.00 0.00 H new ATOM 0 HA SER A 48 7.509 3.791 -15.804 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.409 2.442 -16.741 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.533 3.897 -16.306 1.00 0.00 H new ATOM 0 HG SER A 48 5.337 3.972 -18.481 1.00 0.00 H new ATOM 668 N ILE A 49 4.983 5.195 -14.179 1.00 0.00 N ATOM 669 CA ILE A 49 4.564 6.417 -13.503 1.00 0.00 C ATOM 670 C ILE A 49 5.382 6.654 -12.238 1.00 0.00 C ATOM 671 O ILE A 49 5.428 7.767 -11.717 1.00 0.00 O ATOM 672 CB ILE A 49 3.070 6.371 -13.134 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.785 5.181 -12.216 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.216 6.294 -14.390 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.480 5.299 -11.460 1.00 0.00 C ATOM 0 H ILE A 49 4.285 4.452 -14.178 1.00 0.00 H new ATOM 0 HA ILE A 49 4.733 7.238 -14.200 1.00 0.00 H new ATOM 0 HB ILE A 49 2.815 7.287 -12.600 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.769 4.269 -12.812 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.602 5.080 -11.501 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.162 6.262 -14.112 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.401 7.171 -15.010 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.471 5.394 -14.949 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.344 4.420 -10.830 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.500 6.193 -10.837 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.654 5.369 -12.168 1.00 0.00 H new ATOM 687 N ALA A 50 6.028 5.599 -11.751 1.00 0.00 N ATOM 688 CA ALA A 50 6.848 5.694 -10.550 1.00 0.00 C ATOM 689 C ALA A 50 8.245 6.208 -10.878 1.00 0.00 C ATOM 690 O ALA A 50 9.196 5.967 -10.134 1.00 0.00 O ATOM 691 CB ALA A 50 6.930 4.340 -9.859 1.00 0.00 C ATOM 0 H ALA A 50 5.999 4.669 -12.170 1.00 0.00 H new ATOM 0 HA ALA A 50 6.377 6.407 -9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.545 4.425 -8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.928 4.012 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.375 3.612 -10.537 1.00 0.00 H new ATOM 697 N ALA A 51 8.363 6.916 -11.996 1.00 0.00 N ATOM 698 CA ALA A 51 9.645 7.464 -12.422 1.00 0.00 C ATOM 699 C ALA A 51 10.322 8.222 -11.285 1.00 0.00 C ATOM 700 O ALA A 51 10.092 9.416 -11.098 1.00 0.00 O ATOM 701 CB ALA A 51 9.455 8.375 -13.626 1.00 0.00 C ATOM 0 H ALA A 51 7.586 7.124 -12.623 1.00 0.00 H new ATOM 0 HA ALA A 51 10.291 6.634 -12.706 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.420 8.777 -13.934 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.020 7.806 -14.448 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.788 9.195 -13.360 1.00 0.00 H new ATOM 707 N ASN A 52 11.158 7.519 -10.527 1.00 0.00 N ATOM 708 CA ASN A 52 11.868 8.126 -9.407 1.00 0.00 C ATOM 709 C ASN A 52 10.891 8.583 -8.327 1.00 0.00 C ATOM 710 O ASN A 52 11.099 9.610 -7.681 1.00 0.00 O ATOM 711 CB ASN A 52 12.704 9.313 -9.889 1.00 0.00 C ATOM 712 CG ASN A 52 13.498 8.990 -11.140 1.00 0.00 C ATOM 713 OD1 ASN A 52 14.342 8.093 -11.139 1.00 0.00 O ATOM 714 ND2 ASN A 52 13.232 9.722 -12.215 1.00 0.00 N ATOM 0 H ASN A 52 11.360 6.529 -10.668 1.00 0.00 H new ATOM 0 HA ASN A 52 12.530 7.374 -8.979 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.047 10.160 -10.087 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.387 9.618 -9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.735 9.551 -13.086 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.524 10.455 -12.170 1.00 0.00 H new ATOM 721 N THR A 53 9.825 7.812 -8.137 1.00 0.00 N ATOM 722 CA THR A 53 8.816 8.137 -7.136 1.00 0.00 C ATOM 723 C THR A 53 8.572 6.960 -6.199 1.00 0.00 C ATOM 724 O THR A 53 8.306 5.845 -6.646 1.00 0.00 O ATOM 725 CB THR A 53 7.483 8.540 -7.794 1.00 0.00 C ATOM 726 OG1 THR A 53 7.705 9.576 -8.757 1.00 0.00 O ATOM 727 CG2 THR A 53 6.486 9.019 -6.748 1.00 0.00 C ATOM 0 H THR A 53 9.638 6.958 -8.663 1.00 0.00 H new ATOM 0 HA THR A 53 9.200 8.981 -6.562 1.00 0.00 H new ATOM 0 HB THR A 53 7.070 7.663 -8.293 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.853 9.825 -9.172 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.552 9.298 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.296 8.219 -6.033 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.895 9.884 -6.225 1.00 0.00 H new ATOM 735 N GLN A 54 8.663 7.217 -4.898 1.00 0.00 N ATOM 736 CA GLN A 54 8.451 6.177 -3.898 1.00 0.00 C ATOM 737 C GLN A 54 7.132 6.388 -3.163 1.00 0.00 C ATOM 738 O GLN A 54 6.977 7.349 -2.408 1.00 0.00 O ATOM 739 CB GLN A 54 9.609 6.158 -2.898 1.00 0.00 C ATOM 740 CG GLN A 54 10.965 5.920 -3.542 1.00 0.00 C ATOM 741 CD GLN A 54 12.117 6.298 -2.632 1.00 0.00 C ATOM 742 OE1 GLN A 54 11.948 6.433 -1.420 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.298 6.472 -3.213 1.00 0.00 N ATOM 0 H GLN A 54 8.882 8.135 -4.512 1.00 0.00 H new ATOM 0 HA GLN A 54 8.409 5.217 -4.413 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.632 7.107 -2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.426 5.379 -2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.053 4.869 -3.816 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.031 6.497 -4.465 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.393 6.350 -4.221 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.110 6.728 -2.651 1.00 0.00 H new ATOM 752 N PHE A 55 6.183 5.486 -3.389 1.00 0.00 N ATOM 753 CA PHE A 55 4.875 5.575 -2.749 1.00 0.00 C ATOM 754 C PHE A 55 4.480 4.237 -2.132 1.00 0.00 C ATOM 755 O PHE A 55 5.019 3.191 -2.494 1.00 0.00 O ATOM 756 CB PHE A 55 3.817 6.014 -3.763 1.00 0.00 C ATOM 757 CG PHE A 55 3.530 4.982 -4.816 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.468 4.691 -5.793 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.323 4.303 -4.828 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.207 3.743 -6.764 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.056 3.352 -5.796 1.00 0.00 C ATOM 762 CZ PHE A 55 3.000 3.072 -6.764 1.00 0.00 C ATOM 0 H PHE A 55 6.295 4.685 -4.010 1.00 0.00 H new ATOM 0 HA PHE A 55 4.937 6.318 -1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.893 6.248 -3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.148 6.933 -4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.414 5.211 -5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.582 4.519 -4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.946 3.527 -7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.111 2.829 -5.795 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.795 2.329 -7.520 1.00 0.00 H new ATOM 772 N TRP A 56 3.536 4.279 -1.198 1.00 0.00 N ATOM 773 CA TRP A 56 3.069 3.070 -0.529 1.00 0.00 C ATOM 774 C TRP A 56 2.199 2.234 -1.461 1.00 0.00 C ATOM 775 O TRP A 56 1.698 2.732 -2.470 1.00 0.00 O ATOM 776 CB TRP A 56 2.284 3.432 0.733 1.00 0.00 C ATOM 777 CG TRP A 56 3.118 4.110 1.777 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.006 5.402 2.204 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.193 3.530 2.524 1.00 0.00 C ATOM 780 NE1 TRP A 56 3.947 5.661 3.172 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.687 4.528 3.387 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.785 2.264 2.551 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.744 4.298 4.263 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.834 2.038 3.420 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.305 3.050 4.268 1.00 0.00 C ATOM 0 H TRP A 56 3.079 5.136 -0.887 1.00 0.00 H new ATOM 0 HA TRP A 56 3.941 2.479 -0.249 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.454 4.084 0.461 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.852 2.525 1.156 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.284 6.116 1.835 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.074 6.552 3.652 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.428 1.477 1.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.109 5.077 4.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.300 1.064 3.447 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.126 2.841 4.938 1.00 0.00 H new ATOM 796 N ILE A 57 2.024 0.962 -1.118 1.00 0.00 N ATOM 797 CA ILE A 57 1.214 0.058 -1.925 1.00 0.00 C ATOM 798 C ILE A 57 0.290 -0.781 -1.049 1.00 0.00 C ATOM 799 O ILE A 57 0.250 -0.614 0.169 1.00 0.00 O ATOM 800 CB ILE A 57 2.092 -0.880 -2.773 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.098 -1.614 -1.884 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.811 -0.095 -3.860 1.00 0.00 C ATOM 803 CD1 ILE A 57 4.003 -2.557 -2.646 1.00 0.00 C ATOM 0 H ILE A 57 2.432 0.534 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 57 0.615 0.680 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 57 1.450 -1.620 -3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.710 -0.880 -1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.556 -2.178 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.428 -0.773 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.077 0.386 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.444 0.665 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.690 -3.042 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.400 -3.313 -3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.572 -1.996 -3.387 1.00 0.00 H new ATOM 815 N GLY A 58 -0.451 -1.688 -1.678 1.00 0.00 N ATOM 816 CA GLY A 58 -1.364 -2.542 -0.941 1.00 0.00 C ATOM 817 C GLY A 58 -0.640 -3.587 -0.115 1.00 0.00 C ATOM 818 O GLY A 58 -1.209 -4.157 0.817 1.00 0.00 O ATOM 0 H GLY A 58 -0.435 -1.847 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.981 -1.928 -0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.037 -3.038 -1.640 1.00 0.00 H new ATOM 822 N LEU A 59 0.618 -3.842 -0.457 1.00 0.00 N ATOM 823 CA LEU A 59 1.421 -4.827 0.258 1.00 0.00 C ATOM 824 C LEU A 59 1.858 -4.291 1.618 1.00 0.00 C ATOM 825 O LEU A 59 2.480 -3.232 1.709 1.00 0.00 O ATOM 826 CB LEU A 59 2.649 -5.211 -0.569 1.00 0.00 C ATOM 827 CG LEU A 59 3.322 -6.533 -0.198 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.385 -7.702 -0.462 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.622 -6.705 -0.970 1.00 0.00 C ATOM 0 H LEU A 59 1.104 -3.380 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 59 0.806 -5.713 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.356 -5.258 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.386 -4.413 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 59 3.555 -6.513 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.881 -8.634 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.481 -7.586 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.121 -7.725 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.087 -7.651 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.413 -6.703 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.299 -5.885 -0.731 1.00 0.00 H new ATOM 841 N PHE A 60 1.528 -5.029 2.673 1.00 0.00 N ATOM 842 CA PHE A 60 1.887 -4.628 4.028 1.00 0.00 C ATOM 843 C PHE A 60 2.019 -5.845 4.939 1.00 0.00 C ATOM 844 O PHE A 60 1.207 -6.769 4.881 1.00 0.00 O ATOM 845 CB PHE A 60 0.839 -3.666 4.592 1.00 0.00 C ATOM 846 CG PHE A 60 -0.473 -4.326 4.907 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.607 -5.132 6.026 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.572 -4.139 4.084 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.813 -5.741 6.317 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.781 -4.745 4.371 1.00 0.00 C ATOM 851 CZ PHE A 60 -2.901 -5.546 5.489 1.00 0.00 C ATOM 0 H PHE A 60 1.013 -5.907 2.615 1.00 0.00 H new ATOM 0 HA PHE A 60 2.851 -4.121 3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.231 -3.205 5.498 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.670 -2.864 3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.240 -5.286 6.678 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.483 -3.513 3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.905 -6.369 7.191 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.630 -4.592 3.722 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.845 -6.020 5.716 1.00 0.00 H new ATOM 861 N LYS A 61 3.048 -5.839 5.779 1.00 0.00 N ATOM 862 CA LYS A 61 3.288 -6.941 6.703 1.00 0.00 C ATOM 863 C LYS A 61 2.347 -6.862 7.901 1.00 0.00 C ATOM 864 O LYS A 61 2.063 -5.777 8.408 1.00 0.00 O ATOM 865 CB LYS A 61 4.741 -6.926 7.181 1.00 0.00 C ATOM 866 CG LYS A 61 5.096 -8.092 8.088 1.00 0.00 C ATOM 867 CD LYS A 61 6.599 -8.296 8.172 1.00 0.00 C ATOM 868 CE LYS A 61 7.139 -8.981 6.926 1.00 0.00 C ATOM 869 NZ LYS A 61 8.619 -9.132 6.973 1.00 0.00 N ATOM 0 H LYS A 61 3.730 -5.083 5.839 1.00 0.00 H new ATOM 0 HA LYS A 61 3.096 -7.874 6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.400 -6.938 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.930 -5.993 7.712 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.696 -7.913 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.625 -9.001 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.091 -7.332 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.837 -8.896 9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.677 -9.963 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.861 -8.403 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.948 -9.603 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.062 -8.194 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.883 -9.705 7.800 1.00 0.00 H new ATOM 883 N ASN A 62 1.867 -8.017 8.350 1.00 0.00 N ATOM 884 CA ASN A 62 0.959 -8.078 9.489 1.00 0.00 C ATOM 885 C ASN A 62 1.714 -8.424 10.769 1.00 0.00 C ATOM 886 O ASN A 62 2.935 -8.578 10.759 1.00 0.00 O ATOM 887 CB ASN A 62 -0.141 -9.111 9.237 1.00 0.00 C ATOM 888 CG ASN A 62 -1.395 -8.828 10.040 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.438 -7.890 10.836 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.425 -9.642 9.835 1.00 0.00 N ATOM 0 H ASN A 62 2.092 -8.924 7.942 1.00 0.00 H new ATOM 0 HA ASN A 62 0.504 -7.095 9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.388 -9.123 8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.232 -10.104 9.489 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.296 -9.502 10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.345 -10.407 9.165 1.00 0.00 H new ATOM 897 N SER A 63 0.978 -8.545 11.869 1.00 0.00 N ATOM 898 CA SER A 63 1.578 -8.869 13.158 1.00 0.00 C ATOM 899 C SER A 63 2.376 -10.167 13.074 1.00 0.00 C ATOM 900 O SER A 63 3.554 -10.208 13.431 1.00 0.00 O ATOM 901 CB SER A 63 0.495 -8.992 14.232 1.00 0.00 C ATOM 902 OG SER A 63 -0.013 -7.719 14.591 1.00 0.00 O ATOM 0 H SER A 63 -0.034 -8.424 11.894 1.00 0.00 H new ATOM 0 HA SER A 63 2.258 -8.061 13.428 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.316 -9.621 13.865 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.906 -9.485 15.113 1.00 0.00 H new ATOM 0 HG SER A 63 -0.705 -7.824 15.277 1.00 0.00 H new ATOM 908 N ASP A 64 1.727 -11.224 12.600 1.00 0.00 N ATOM 909 CA ASP A 64 2.375 -12.524 12.468 1.00 0.00 C ATOM 910 C ASP A 64 3.723 -12.390 11.765 1.00 0.00 C ATOM 911 O ASP A 64 4.725 -12.946 12.212 1.00 0.00 O ATOM 912 CB ASP A 64 1.476 -13.489 11.694 1.00 0.00 C ATOM 913 CG ASP A 64 1.742 -14.939 12.049 1.00 0.00 C ATOM 914 OD1 ASP A 64 1.993 -15.222 13.239 1.00 0.00 O ATOM 915 OD2 ASP A 64 1.698 -15.791 11.137 1.00 0.00 O ATOM 0 H ASP A 64 0.752 -11.207 12.300 1.00 0.00 H new ATOM 0 HA ASP A 64 2.545 -12.921 13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.432 -13.253 11.900 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.630 -13.346 10.624 1.00 0.00 H new ATOM 920 N GLY A 65 3.738 -11.649 10.661 1.00 0.00 N ATOM 921 CA GLY A 65 4.967 -11.456 9.914 1.00 0.00 C ATOM 922 C GLY A 65 4.808 -11.783 8.443 1.00 0.00 C ATOM 923 O GLY A 65 5.796 -11.923 7.722 1.00 0.00 O ATOM 0 H GLY A 65 2.921 -11.179 10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.294 -10.422 10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.750 -12.083 10.340 1.00 0.00 H new ATOM 927 N GLN A 66 3.562 -11.906 7.996 1.00 0.00 N ATOM 928 CA GLN A 66 3.279 -12.220 6.601 1.00 0.00 C ATOM 929 C GLN A 66 2.826 -10.976 5.844 1.00 0.00 C ATOM 930 O GLN A 66 2.302 -10.033 6.436 1.00 0.00 O ATOM 931 CB GLN A 66 2.206 -13.307 6.510 1.00 0.00 C ATOM 932 CG GLN A 66 2.393 -14.433 7.513 1.00 0.00 C ATOM 933 CD GLN A 66 1.648 -15.694 7.121 1.00 0.00 C ATOM 934 OE1 GLN A 66 0.422 -15.696 7.013 1.00 0.00 O ATOM 935 NE2 GLN A 66 2.388 -16.775 6.905 1.00 0.00 N ATOM 0 H GLN A 66 2.733 -11.793 8.580 1.00 0.00 H new ATOM 0 HA GLN A 66 4.198 -12.586 6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.227 -12.853 6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.208 -13.725 5.503 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.455 -14.658 7.607 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.049 -14.102 8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.402 -16.728 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.943 -17.653 6.638 1.00 0.00 H new ATOM 944 N PHE A 67 3.032 -10.981 4.531 1.00 0.00 N ATOM 945 CA PHE A 67 2.646 -9.853 3.692 1.00 0.00 C ATOM 946 C PHE A 67 1.234 -10.039 3.145 1.00 0.00 C ATOM 947 O PHE A 67 0.918 -11.070 2.549 1.00 0.00 O ATOM 948 CB PHE A 67 3.635 -9.687 2.537 1.00 0.00 C ATOM 949 CG PHE A 67 4.983 -9.184 2.969 1.00 0.00 C ATOM 950 CD1 PHE A 67 5.141 -7.883 3.416 1.00 0.00 C ATOM 951 CD2 PHE A 67 6.092 -10.014 2.928 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.380 -7.418 3.814 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.334 -9.554 3.324 1.00 0.00 C ATOM 954 CZ PHE A 67 7.478 -8.255 3.769 1.00 0.00 C ATOM 0 H PHE A 67 3.464 -11.754 4.025 1.00 0.00 H new ATOM 0 HA PHE A 67 2.662 -8.953 4.307 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.758 -10.646 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.215 -8.996 1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.286 -7.224 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.985 -11.032 2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.490 -6.401 4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.191 -10.210 3.285 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.447 -7.894 4.081 1.00 0.00 H new ATOM 964 N TYR A 68 0.388 -9.036 3.353 1.00 0.00 N ATOM 965 CA TYR A 68 -0.991 -9.090 2.884 1.00 0.00 C ATOM 966 C TYR A 68 -1.269 -7.975 1.880 1.00 0.00 C ATOM 967 O TYR A 68 -0.433 -7.098 1.662 1.00 0.00 O ATOM 968 CB TYR A 68 -1.958 -8.981 4.064 1.00 0.00 C ATOM 969 CG TYR A 68 -1.803 -10.092 5.078 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.688 -10.155 5.904 1.00 0.00 C ATOM 971 CD2 TYR A 68 -2.773 -11.078 5.210 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.542 -11.169 6.831 1.00 0.00 C ATOM 973 CE2 TYR A 68 -2.636 -12.095 6.136 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.519 -12.136 6.943 1.00 0.00 C ATOM 975 OH TYR A 68 -1.378 -13.147 7.867 1.00 0.00 O ATOM 0 H TYR A 68 0.633 -8.176 3.843 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.141 -10.048 2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.805 -8.023 4.561 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.981 -8.985 3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.078 -9.398 5.820 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.649 -11.049 4.579 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.332 -11.204 7.464 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.400 -12.853 6.227 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.816 -13.857 7.492 1.00 0.00 H new ATOM 985 N TRP A 69 -2.449 -8.016 1.272 1.00 0.00 N ATOM 986 CA TRP A 69 -2.839 -7.010 0.291 1.00 0.00 C ATOM 987 C TRP A 69 -3.963 -6.131 0.830 1.00 0.00 C ATOM 988 O TRP A 69 -4.936 -6.629 1.396 1.00 0.00 O ATOM 989 CB TRP A 69 -3.280 -7.680 -1.011 1.00 0.00 C ATOM 990 CG TRP A 69 -2.134 -8.153 -1.853 1.00 0.00 C ATOM 991 CD1 TRP A 69 -1.856 -9.442 -2.209 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.111 -7.343 -2.441 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.722 -9.481 -2.984 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.246 -8.206 -3.141 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.842 -5.971 -2.446 1.00 0.00 C ATOM 996 CZ2 TRP A 69 0.867 -7.742 -3.837 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.263 -5.512 -3.137 1.00 0.00 C ATOM 998 CH2 TRP A 69 1.106 -6.394 -3.825 1.00 0.00 C ATOM 0 H TRP A 69 -3.152 -8.735 1.441 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.973 -6.379 0.091 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -3.923 -8.528 -0.775 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.880 -6.976 -1.588 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.441 -10.304 -1.923 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.303 -10.323 -3.379 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.486 -5.282 -1.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.518 -8.421 -4.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.481 -4.454 -3.147 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.961 -6.003 -4.356 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.822 -4.822 0.651 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.827 -3.874 1.119 1.00 0.00 C ATOM 1011 C ASP A 70 -6.028 -3.847 0.178 1.00 0.00 C ATOM 1012 O ASP A 70 -5.890 -3.569 -1.013 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.223 -2.474 1.234 1.00 0.00 C ATOM 1014 CG ASP A 70 -5.088 -1.536 2.053 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -5.485 -1.921 3.172 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -5.368 -0.417 1.574 1.00 0.00 O ATOM 0 H ASP A 70 -3.022 -4.393 0.185 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.166 -4.197 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.235 -2.544 1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.085 -2.058 0.236 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.205 -4.139 0.722 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.430 -4.151 -0.069 1.00 0.00 C ATOM 1023 C ARG A 71 -9.506 -3.287 0.583 1.00 0.00 C ATOM 1024 O ARG A 71 -10.699 -3.555 0.446 1.00 0.00 O ATOM 1025 CB ARG A 71 -8.942 -5.583 -0.235 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.030 -6.462 -1.076 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.362 -6.354 -2.556 1.00 0.00 C ATOM 1028 NE ARG A 71 -7.790 -7.455 -3.326 1.00 0.00 N ATOM 1029 CZ ARG A 71 -7.523 -7.381 -4.626 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -7.775 -6.265 -5.295 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -7.003 -8.426 -5.257 1.00 0.00 N ATOM 0 H ARG A 71 -7.336 -4.370 1.707 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.202 -3.738 -1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.060 -6.034 0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.930 -5.556 -0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.992 -6.172 -0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.126 -7.499 -0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.444 -6.345 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.987 -5.407 -2.944 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.584 -8.328 -2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.175 -5.460 -4.812 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.569 -6.211 -6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.808 -9.286 -4.744 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.798 -8.369 -6.255 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.075 -2.249 1.293 1.00 0.00 N ATOM 1046 CA GLY A 72 -10.013 -1.362 1.956 1.00 0.00 C ATOM 1047 C GLY A 72 -9.717 -1.205 3.434 1.00 0.00 C ATOM 1048 O GLY A 72 -8.659 -1.617 3.908 1.00 0.00 O ATOM 0 H GLY A 72 -8.093 -2.006 1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.984 -0.383 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.024 -1.748 1.830 1.00 0.00 H new ATOM 1052 N GLN A 73 -10.652 -0.604 4.163 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.484 -0.391 5.595 1.00 0.00 C ATOM 1054 C GLN A 73 -10.979 -1.597 6.387 1.00 0.00 C ATOM 1055 O GLN A 73 -10.205 -2.259 7.078 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.235 0.866 6.037 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.011 1.228 7.496 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.679 1.914 7.730 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -8.651 1.496 7.196 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -9.691 2.973 8.530 1.00 0.00 N ATOM 0 H GLN A 73 -11.533 -0.256 3.785 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.420 -0.260 5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.924 1.703 5.412 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.302 0.720 5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.816 1.882 7.832 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.061 0.324 8.102 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.566 3.284 8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.825 3.476 8.724 1.00 0.00 H new ATOM 1069 N GLY A 74 -12.274 -1.878 6.281 1.00 0.00 N ATOM 1070 CA GLY A 74 -12.850 -3.004 6.993 1.00 0.00 C ATOM 1071 C GLY A 74 -12.923 -4.254 6.139 1.00 0.00 C ATOM 1072 O GLY A 74 -13.593 -5.222 6.500 1.00 0.00 O ATOM 0 H GLY A 74 -12.935 -1.346 5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.255 -3.210 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.852 -2.741 7.333 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.235 -4.233 5.002 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.226 -5.373 4.094 1.00 0.00 C ATOM 1078 C ILE A 75 -11.130 -6.365 4.468 1.00 0.00 C ATOM 1079 O ILE A 75 -10.045 -5.975 4.897 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.023 -4.928 2.634 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -12.925 -3.735 2.311 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.303 -6.083 1.684 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.400 -4.040 2.443 1.00 0.00 C ATOM 0 H ILE A 75 -11.677 -3.439 4.688 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.198 -5.857 4.186 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.985 -4.620 2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -12.672 -2.908 2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.721 -3.400 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.155 -5.752 0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.623 -6.906 1.902 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.332 -6.419 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -14.979 -3.149 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.668 -4.845 1.759 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.618 -4.346 3.466 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.422 -7.651 4.302 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.461 -8.700 4.621 1.00 0.00 C ATOM 1097 C ASN A 76 -9.249 -8.628 3.696 1.00 0.00 C ATOM 1098 O ASN A 76 -9.368 -8.682 2.472 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.120 -10.076 4.509 1.00 0.00 C ATOM 1100 CG ASN A 76 -12.196 -10.289 5.557 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -13.387 -10.303 5.246 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -11.779 -10.455 6.807 1.00 0.00 N ATOM 0 H ASN A 76 -12.316 -7.991 3.949 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.123 -8.548 5.646 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.556 -10.187 3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.359 -10.850 4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.456 -10.602 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.781 -10.436 7.019 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.055 -8.504 4.294 1.00 0.00 N ATOM 1110 CA PRO A 77 -6.798 -8.423 3.544 1.00 0.00 C ATOM 1111 C PRO A 77 -6.436 -9.745 2.875 1.00 0.00 C ATOM 1112 O PRO A 77 -6.451 -10.798 3.512 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.767 -8.066 4.616 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.349 -8.580 5.888 1.00 0.00 C ATOM 1115 CD PRO A 77 -7.839 -8.434 5.749 1.00 0.00 C ATOM 0 HA PRO A 77 -6.855 -7.699 2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.802 -8.528 4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.601 -6.990 4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.072 -9.622 6.051 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.979 -8.014 6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.371 -9.228 6.273 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.190 -7.489 6.162 1.00 0.00 H new ATOM 1123 N ASP A 78 -6.112 -9.683 1.588 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.744 -10.875 0.834 1.00 0.00 C ATOM 1125 C ASP A 78 -4.254 -11.169 0.975 1.00 0.00 C ATOM 1126 O ASP A 78 -3.414 -10.462 0.417 1.00 0.00 O ATOM 1127 CB ASP A 78 -6.104 -10.702 -0.642 1.00 0.00 C ATOM 1128 CG ASP A 78 -7.550 -11.054 -0.931 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -8.444 -10.478 -0.274 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -7.789 -11.904 -1.813 1.00 0.00 O ATOM 0 H ASP A 78 -6.097 -8.819 1.045 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.303 -11.718 1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.918 -9.670 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.452 -11.331 -1.248 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.932 -12.217 1.725 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.542 -12.605 1.941 1.00 0.00 C ATOM 1137 C LEU A 79 -1.816 -12.791 0.613 1.00 0.00 C ATOM 1138 O LEU A 79 -2.440 -13.050 -0.417 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.474 -13.897 2.758 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.074 -14.460 3.008 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.377 -13.686 4.115 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -1.149 -15.940 3.355 1.00 0.00 C ATOM 0 H LEU A 79 -4.614 -12.813 2.194 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.049 -11.806 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.950 -13.719 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.064 -14.658 2.247 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.491 -14.350 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.618 -14.101 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.290 -12.638 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.958 -13.763 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.144 -16.324 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.750 -16.073 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.607 -16.485 2.529 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.494 -12.661 0.644 1.00 0.00 N ATOM 1155 CA LEU A 80 0.319 -12.816 -0.557 1.00 0.00 C ATOM 1156 C LEU A 80 0.432 -14.286 -0.951 1.00 0.00 C ATOM 1157 O LEU A 80 1.291 -15.008 -0.449 1.00 0.00 O ATOM 1158 CB LEU A 80 1.713 -12.228 -0.334 1.00 0.00 C ATOM 1159 CG LEU A 80 2.641 -12.221 -1.549 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.301 -11.062 -2.473 1.00 0.00 C ATOM 1161 CD2 LEU A 80 4.096 -12.145 -1.108 1.00 0.00 C ATOM 0 H LEU A 80 0.038 -12.449 1.488 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.170 -12.277 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.601 -11.203 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.198 -12.788 0.465 1.00 0.00 H new ATOM 0 HG LEU A 80 2.497 -13.151 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.972 -11.073 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.271 -11.160 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.417 -10.121 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.742 -12.141 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.255 -11.231 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.333 -13.008 -0.486 1.00 0.00 H new ATOM 1173 N ASN A 81 -0.440 -14.719 -1.855 1.00 0.00 N ATOM 1174 CA ASN A 81 -0.437 -16.102 -2.318 1.00 0.00 C ATOM 1175 C ASN A 81 -0.050 -16.182 -3.792 1.00 0.00 C ATOM 1176 O ASN A 81 -0.520 -17.055 -4.521 1.00 0.00 O ATOM 1177 CB ASN A 81 -1.814 -16.736 -2.107 1.00 0.00 C ATOM 1178 CG ASN A 81 -2.819 -16.299 -3.155 1.00 0.00 C ATOM 1179 OD1 ASN A 81 -2.565 -15.374 -3.927 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -3.968 -16.964 -3.186 1.00 0.00 N ATOM 0 H ASN A 81 -1.157 -14.133 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 81 0.302 -16.651 -1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.718 -17.822 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.186 -16.469 -1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.683 -16.715 -3.869 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.135 -17.724 -2.527 1.00 0.00 H new ATOM 1187 N GLN A 82 0.811 -15.264 -4.222 1.00 0.00 N ATOM 1188 CA GLN A 82 1.261 -15.231 -5.608 1.00 0.00 C ATOM 1189 C GLN A 82 2.683 -15.769 -5.732 1.00 0.00 C ATOM 1190 O GLN A 82 3.560 -15.466 -4.923 1.00 0.00 O ATOM 1191 CB GLN A 82 1.195 -13.804 -6.154 1.00 0.00 C ATOM 1192 CG GLN A 82 1.993 -12.801 -5.336 1.00 0.00 C ATOM 1193 CD GLN A 82 1.688 -11.365 -5.713 1.00 0.00 C ATOM 1194 OE1 GLN A 82 0.537 -10.931 -5.673 1.00 0.00 O ATOM 1195 NE2 GLN A 82 2.722 -10.618 -6.084 1.00 0.00 N ATOM 0 H GLN A 82 1.210 -14.535 -3.631 1.00 0.00 H new ATOM 0 HA GLN A 82 0.598 -15.868 -6.193 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.564 -13.799 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.153 -13.485 -6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.778 -12.948 -4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.057 -12.990 -5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.660 -11.019 -6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.578 -9.644 -6.350 1.00 0.00 H new ATOM 1204 N PRO A 83 2.918 -16.588 -6.768 1.00 0.00 N ATOM 1205 CA PRO A 83 4.233 -17.185 -7.022 1.00 0.00 C ATOM 1206 C PRO A 83 5.260 -16.155 -7.476 1.00 0.00 C ATOM 1207 O PRO A 83 6.455 -16.297 -7.212 1.00 0.00 O ATOM 1208 CB PRO A 83 3.954 -18.192 -8.141 1.00 0.00 C ATOM 1209 CG PRO A 83 2.746 -17.663 -8.834 1.00 0.00 C ATOM 1210 CD PRO A 83 1.920 -16.992 -7.772 1.00 0.00 C ATOM 0 HA PRO A 83 4.658 -17.632 -6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.800 -18.269 -8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.775 -19.190 -7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.023 -16.957 -9.617 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.187 -18.467 -9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.378 -16.133 -8.168 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.178 -17.671 -7.351 1.00 0.00 H new ATOM 1218 N ILE A 84 4.789 -15.117 -8.160 1.00 0.00 N ATOM 1219 CA ILE A 84 5.668 -14.062 -8.649 1.00 0.00 C ATOM 1220 C ILE A 84 5.745 -12.907 -7.656 1.00 0.00 C ATOM 1221 O ILE A 84 4.734 -12.494 -7.086 1.00 0.00 O ATOM 1222 CB ILE A 84 5.195 -13.522 -10.011 1.00 0.00 C ATOM 1223 CG1 ILE A 84 5.208 -14.638 -11.058 1.00 0.00 C ATOM 1224 CG2 ILE A 84 6.074 -12.362 -10.455 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.594 -14.233 -12.380 1.00 0.00 C ATOM 0 H ILE A 84 3.804 -14.984 -8.388 1.00 0.00 H new ATOM 0 HA ILE A 84 6.657 -14.504 -8.766 1.00 0.00 H new ATOM 0 HB ILE A 84 4.173 -13.158 -9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.237 -14.955 -11.227 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.669 -15.500 -10.665 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.727 -11.991 -11.419 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.020 -11.561 -9.717 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.106 -12.702 -10.547 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.637 -15.073 -13.074 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.555 -13.944 -12.225 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.147 -13.390 -12.795 1.00 0.00 H new ATOM 1237 N THR A 85 6.952 -12.387 -7.454 1.00 0.00 N ATOM 1238 CA THR A 85 7.161 -11.279 -6.531 1.00 0.00 C ATOM 1239 C THR A 85 8.158 -10.273 -7.096 1.00 0.00 C ATOM 1240 O THR A 85 8.919 -10.587 -8.012 1.00 0.00 O ATOM 1241 CB THR A 85 7.670 -11.775 -5.164 1.00 0.00 C ATOM 1242 OG1 THR A 85 8.754 -12.691 -5.348 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.553 -12.452 -4.385 1.00 0.00 C ATOM 0 H THR A 85 7.799 -12.716 -7.917 1.00 0.00 H new ATOM 0 HA THR A 85 6.195 -10.793 -6.397 1.00 0.00 H new ATOM 0 HB THR A 85 8.017 -10.913 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.073 -13.000 -4.474 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.936 -12.794 -3.423 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.742 -11.743 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.180 -13.305 -4.951 1.00 0.00 H new ATOM 1251 N TYR A 86 8.149 -9.065 -6.546 1.00 0.00 N ATOM 1252 CA TYR A 86 9.051 -8.012 -6.997 1.00 0.00 C ATOM 1253 C TYR A 86 10.035 -7.629 -5.896 1.00 0.00 C ATOM 1254 O TYR A 86 10.753 -6.635 -6.008 1.00 0.00 O ATOM 1255 CB TYR A 86 8.255 -6.782 -7.436 1.00 0.00 C ATOM 1256 CG TYR A 86 7.206 -7.081 -8.483 1.00 0.00 C ATOM 1257 CD1 TYR A 86 7.570 -7.434 -9.777 1.00 0.00 C ATOM 1258 CD2 TYR A 86 5.853 -7.010 -8.180 1.00 0.00 C ATOM 1259 CE1 TYR A 86 6.616 -7.708 -10.738 1.00 0.00 C ATOM 1260 CE2 TYR A 86 4.892 -7.283 -9.134 1.00 0.00 C ATOM 1261 CZ TYR A 86 5.278 -7.631 -10.412 1.00 0.00 C ATOM 1262 OH TYR A 86 4.324 -7.903 -11.365 1.00 0.00 O ATOM 0 H TYR A 86 7.527 -8.790 -5.786 1.00 0.00 H new ATOM 0 HA TYR A 86 9.616 -8.393 -7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.771 -6.343 -6.564 1.00 0.00 H new ATOM 0 HB3 TYR A 86 8.945 -6.034 -7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.617 -7.495 -10.036 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.547 -6.737 -7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.916 -7.981 -11.739 1.00 0.00 H new ATOM 0 HE2 TYR A 86 3.844 -7.224 -8.881 1.00 0.00 H new ATOM 0 HH TYR A 86 3.991 -8.816 -11.243 1.00 0.00 H new ATOM 1272 N TRP A 87 10.062 -8.424 -4.833 1.00 0.00 N ATOM 1273 CA TRP A 87 10.958 -8.170 -3.710 1.00 0.00 C ATOM 1274 C TRP A 87 12.333 -7.731 -4.201 1.00 0.00 C ATOM 1275 O TRP A 87 12.921 -8.364 -5.077 1.00 0.00 O ATOM 1276 CB TRP A 87 11.088 -9.422 -2.841 1.00 0.00 C ATOM 1277 CG TRP A 87 9.832 -9.760 -2.096 1.00 0.00 C ATOM 1278 CD1 TRP A 87 9.115 -10.919 -2.182 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.146 -8.931 -1.152 1.00 0.00 C ATOM 1280 NE1 TRP A 87 8.024 -10.860 -1.349 1.00 0.00 N ATOM 1281 CE2 TRP A 87 8.021 -9.651 -0.705 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.374 -7.651 -0.639 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 7.128 -9.131 0.228 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.486 -7.137 0.287 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.375 -7.876 0.713 1.00 0.00 C ATOM 0 H TRP A 87 9.474 -9.250 -4.725 1.00 0.00 H new ATOM 0 HA TRP A 87 10.532 -7.365 -3.112 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.366 -10.266 -3.472 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.898 -9.277 -2.126 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.368 -11.759 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.329 -11.597 -1.229 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.229 -7.074 -0.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.270 -9.699 0.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.652 -6.148 0.689 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.700 -7.447 1.439 1.00 0.00 H new ATOM 1296 N ALA A 88 12.841 -6.644 -3.629 1.00 0.00 N ATOM 1297 CA ALA A 88 14.149 -6.123 -4.007 1.00 0.00 C ATOM 1298 C ALA A 88 15.265 -7.055 -3.549 1.00 0.00 C ATOM 1299 O ALA A 88 15.006 -8.135 -3.020 1.00 0.00 O ATOM 1300 CB ALA A 88 14.350 -4.731 -3.426 1.00 0.00 C ATOM 0 H ALA A 88 12.367 -6.107 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 88 14.187 -6.061 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.331 -4.354 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.577 -4.063 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.286 -4.778 -2.339 1.00 0.00 H new ATOM 1306 N ASN A 89 16.507 -6.631 -3.756 1.00 0.00 N ATOM 1307 CA ASN A 89 17.663 -7.429 -3.365 1.00 0.00 C ATOM 1308 C ASN A 89 17.612 -7.769 -1.879 1.00 0.00 C ATOM 1309 O ASN A 89 17.599 -6.880 -1.028 1.00 0.00 O ATOM 1310 CB ASN A 89 18.958 -6.680 -3.685 1.00 0.00 C ATOM 1311 CG ASN A 89 20.146 -7.612 -3.829 1.00 0.00 C ATOM 1312 OD1 ASN A 89 20.768 -8.000 -2.840 1.00 0.00 O ATOM 1313 ND2 ASN A 89 20.464 -7.977 -5.065 1.00 0.00 N ATOM 0 H ASN A 89 16.739 -5.739 -4.193 1.00 0.00 H new ATOM 0 HA ASN A 89 17.640 -8.359 -3.933 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.829 -6.115 -4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.161 -5.957 -2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 89 21.252 -8.604 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.920 -7.630 -5.855 1.00 0.00 H new ATOM 1320 N GLY A 90 17.584 -9.062 -1.573 1.00 0.00 N ATOM 1321 CA GLY A 90 17.536 -9.497 -0.190 1.00 0.00 C ATOM 1322 C GLY A 90 16.138 -9.425 0.392 1.00 0.00 C ATOM 1323 O GLY A 90 15.848 -10.059 1.406 1.00 0.00 O ATOM 0 H GLY A 90 17.594 -9.817 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.902 -10.521 -0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.207 -8.878 0.406 1.00 0.00 H new ATOM 1327 N GLU A 91 15.270 -8.650 -0.251 1.00 0.00 N ATOM 1328 CA GLU A 91 13.895 -8.497 0.211 1.00 0.00 C ATOM 1329 C GLU A 91 13.099 -9.779 -0.016 1.00 0.00 C ATOM 1330 O GLU A 91 13.404 -10.581 -0.898 1.00 0.00 O ATOM 1331 CB GLU A 91 13.219 -7.329 -0.510 1.00 0.00 C ATOM 1332 CG GLU A 91 13.739 -5.967 -0.082 1.00 0.00 C ATOM 1333 CD GLU A 91 14.145 -5.929 1.378 1.00 0.00 C ATOM 1334 OE1 GLU A 91 13.276 -5.642 2.228 1.00 0.00 O ATOM 1335 OE2 GLU A 91 15.331 -6.187 1.671 1.00 0.00 O ATOM 0 H GLU A 91 15.494 -8.119 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 91 13.919 -8.290 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.364 -7.443 -1.584 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.145 -7.373 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.596 -5.699 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.969 -5.216 -0.261 1.00 0.00 H new ATOM 1342 N PRO A 92 12.053 -9.977 0.800 1.00 0.00 N ATOM 1343 CA PRO A 92 11.680 -9.028 1.854 1.00 0.00 C ATOM 1344 C PRO A 92 12.691 -9.004 2.996 1.00 0.00 C ATOM 1345 O PRO A 92 13.297 -10.024 3.323 1.00 0.00 O ATOM 1346 CB PRO A 92 10.331 -9.557 2.346 1.00 0.00 C ATOM 1347 CG PRO A 92 10.353 -11.011 2.023 1.00 0.00 C ATOM 1348 CD PRO A 92 11.153 -11.142 0.757 1.00 0.00 C ATOM 0 HA PRO A 92 11.643 -8.003 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.207 -9.391 3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.503 -9.053 1.848 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.806 -11.584 2.832 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.342 -11.396 1.888 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.709 -12.079 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.514 -11.124 -0.126 1.00 0.00 H new ATOM 1356 N SER A 93 12.868 -7.833 3.599 1.00 0.00 N ATOM 1357 CA SER A 93 13.808 -7.675 4.702 1.00 0.00 C ATOM 1358 C SER A 93 13.211 -8.201 6.004 1.00 0.00 C ATOM 1359 O SER A 93 12.083 -7.865 6.362 1.00 0.00 O ATOM 1360 CB SER A 93 14.196 -6.204 4.863 1.00 0.00 C ATOM 1361 OG SER A 93 15.359 -5.898 4.113 1.00 0.00 O ATOM 0 H SER A 93 12.372 -6.979 3.342 1.00 0.00 H new ATOM 0 HA SER A 93 14.701 -8.256 4.471 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.372 -5.570 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.370 -5.984 5.916 1.00 0.00 H new ATOM 0 HG SER A 93 15.446 -6.532 3.370 1.00 0.00 H new ATOM 1367 N ASN A 94 13.977 -9.029 6.707 1.00 0.00 N ATOM 1368 CA ASN A 94 13.525 -9.602 7.969 1.00 0.00 C ATOM 1369 C ASN A 94 13.801 -8.651 9.129 1.00 0.00 C ATOM 1370 O ASN A 94 14.251 -9.070 10.196 1.00 0.00 O ATOM 1371 CB ASN A 94 14.216 -10.944 8.220 1.00 0.00 C ATOM 1372 CG ASN A 94 13.402 -11.855 9.119 1.00 0.00 C ATOM 1373 OD1 ASN A 94 13.643 -11.934 10.324 1.00 0.00 O ATOM 1374 ND2 ASN A 94 12.431 -12.549 8.535 1.00 0.00 N ATOM 0 H ASN A 94 14.913 -9.318 6.424 1.00 0.00 H new ATOM 0 HA ASN A 94 12.449 -9.761 7.902 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.393 -11.442 7.267 1.00 0.00 H new ATOM 0 HB3 ASN A 94 15.191 -10.768 8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.850 -13.178 9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.267 -12.452 7.533 1.00 0.00 H new ATOM 1381 N ASP A 95 13.526 -7.369 8.914 1.00 0.00 N ATOM 1382 CA ASP A 95 13.743 -6.357 9.942 1.00 0.00 C ATOM 1383 C ASP A 95 12.446 -6.050 10.683 1.00 0.00 C ATOM 1384 O ASP A 95 11.376 -5.924 10.087 1.00 0.00 O ATOM 1385 CB ASP A 95 14.304 -5.078 9.318 1.00 0.00 C ATOM 1386 CG ASP A 95 15.814 -5.114 9.185 1.00 0.00 C ATOM 1387 OD1 ASP A 95 16.360 -6.200 8.899 1.00 0.00 O ATOM 1388 OD2 ASP A 95 16.450 -4.055 9.365 1.00 0.00 O ATOM 0 H ASP A 95 13.152 -7.006 8.037 1.00 0.00 H new ATOM 0 HA ASP A 95 14.465 -6.750 10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.859 -4.931 8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.016 -4.222 9.929 1.00 0.00 H new ATOM 1393 N PRO A 96 12.541 -5.927 12.016 1.00 0.00 N ATOM 1394 CA PRO A 96 11.385 -5.633 12.868 1.00 0.00 C ATOM 1395 C PRO A 96 10.869 -4.211 12.675 1.00 0.00 C ATOM 1396 O PRO A 96 9.660 -3.974 12.660 1.00 0.00 O ATOM 1397 CB PRO A 96 11.933 -5.815 14.285 1.00 0.00 C ATOM 1398 CG PRO A 96 13.397 -5.569 14.159 1.00 0.00 C ATOM 1399 CD PRO A 96 13.784 -6.064 12.793 1.00 0.00 C ATOM 0 HA PRO A 96 10.536 -6.277 12.639 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.472 -5.114 14.981 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.731 -6.818 14.662 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.625 -4.509 14.269 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.950 -6.097 14.936 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.593 -5.472 12.365 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.128 -7.098 12.823 1.00 0.00 H new ATOM 1407 N THR A 97 11.792 -3.266 12.526 1.00 0.00 N ATOM 1408 CA THR A 97 11.430 -1.867 12.334 1.00 0.00 C ATOM 1409 C THR A 97 10.663 -1.671 11.032 1.00 0.00 C ATOM 1410 O THR A 97 9.755 -0.843 10.954 1.00 0.00 O ATOM 1411 CB THR A 97 12.676 -0.961 12.325 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.486 -1.254 11.180 1.00 0.00 O ATOM 1413 CG2 THR A 97 13.494 -1.152 13.593 1.00 0.00 C ATOM 0 H THR A 97 12.796 -3.444 12.535 1.00 0.00 H new ATOM 0 HA THR A 97 10.793 -1.587 13.173 1.00 0.00 H new ATOM 0 HB THR A 97 12.344 0.076 12.279 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.275 -0.673 11.180 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.368 -0.502 13.563 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.884 -0.901 14.461 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.817 -2.191 13.665 1.00 0.00 H new ATOM 1421 N ARG A 98 11.033 -2.438 10.011 1.00 0.00 N ATOM 1422 CA ARG A 98 10.379 -2.348 8.711 1.00 0.00 C ATOM 1423 C ARG A 98 9.332 -3.446 8.552 1.00 0.00 C ATOM 1424 O ARG A 98 9.657 -4.633 8.568 1.00 0.00 O ATOM 1425 CB ARG A 98 11.413 -2.448 7.589 1.00 0.00 C ATOM 1426 CG ARG A 98 12.603 -1.520 7.771 1.00 0.00 C ATOM 1427 CD ARG A 98 13.758 -1.908 6.861 1.00 0.00 C ATOM 1428 NE ARG A 98 13.618 -1.335 5.525 1.00 0.00 N ATOM 1429 CZ ARG A 98 14.577 -1.369 4.607 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.739 -1.946 4.879 1.00 0.00 N ATOM 1431 NH2 ARG A 98 14.374 -0.825 3.413 1.00 0.00 N ATOM 0 H ARG A 98 11.782 -3.129 10.059 1.00 0.00 H new ATOM 0 HA ARG A 98 9.879 -1.382 8.650 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.771 -3.476 7.527 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.929 -2.221 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.301 -0.494 7.560 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.932 -1.548 8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.696 -1.573 7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.811 -2.994 6.786 1.00 0.00 H new ATOM 0 HE ARG A 98 12.735 -0.884 5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.898 -2.365 5.795 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.474 -1.971 4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.481 -0.381 3.200 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.111 -0.852 2.708 1.00 0.00 H new ATOM 1445 N GLN A 99 8.075 -3.040 8.400 1.00 0.00 N ATOM 1446 CA GLN A 99 6.981 -3.990 8.240 1.00 0.00 C ATOM 1447 C GLN A 99 6.192 -3.701 6.967 1.00 0.00 C ATOM 1448 O GLN A 99 5.783 -4.620 6.255 1.00 0.00 O ATOM 1449 CB GLN A 99 6.050 -3.938 9.453 1.00 0.00 C ATOM 1450 CG GLN A 99 6.786 -3.924 10.783 1.00 0.00 C ATOM 1451 CD GLN A 99 5.991 -4.578 11.896 1.00 0.00 C ATOM 1452 OE1 GLN A 99 5.124 -3.953 12.507 1.00 0.00 O ATOM 1453 NE2 GLN A 99 6.284 -5.845 12.166 1.00 0.00 N ATOM 0 H GLN A 99 7.790 -2.061 8.384 1.00 0.00 H new ATOM 0 HA GLN A 99 7.409 -4.989 8.162 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.425 -3.048 9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.382 -4.799 9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.740 -4.439 10.672 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.011 -2.894 11.059 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.010 -6.325 11.634 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.783 -6.338 12.905 1.00 0.00 H new ATOM 1462 N CYS A 100 5.981 -2.420 6.685 1.00 0.00 N ATOM 1463 CA CYS A 100 5.241 -2.009 5.498 1.00 0.00 C ATOM 1464 C CYS A 100 6.150 -1.981 4.272 1.00 0.00 C ATOM 1465 O CYS A 100 7.366 -1.837 4.392 1.00 0.00 O ATOM 1466 CB CYS A 100 4.614 -0.631 5.714 1.00 0.00 C ATOM 1467 SG CYS A 100 3.408 -0.567 7.077 1.00 0.00 S ATOM 0 H CYS A 100 6.312 -1.648 7.263 1.00 0.00 H new ATOM 0 HA CYS A 100 4.449 -2.737 5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.407 0.090 5.911 1.00 0.00 H new ATOM 0 HB3 CYS A 100 4.122 -0.319 4.793 1.00 0.00 H new ATOM 1472 N VAL A 101 5.550 -2.119 3.094 1.00 0.00 N ATOM 1473 CA VAL A 101 6.304 -2.107 1.846 1.00 0.00 C ATOM 1474 C VAL A 101 5.908 -0.920 0.976 1.00 0.00 C ATOM 1475 O VAL A 101 4.743 -0.525 0.938 1.00 0.00 O ATOM 1476 CB VAL A 101 6.090 -3.408 1.049 1.00 0.00 C ATOM 1477 CG1 VAL A 101 6.997 -3.442 -0.171 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.329 -4.621 1.936 1.00 0.00 C ATOM 0 H VAL A 101 4.544 -2.240 2.978 1.00 0.00 H new ATOM 0 HA VAL A 101 7.357 -2.022 2.113 1.00 0.00 H new ATOM 0 HB VAL A 101 5.056 -3.437 0.704 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.832 -4.368 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.772 -2.592 -0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 101 8.038 -3.390 0.148 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.174 -5.531 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.352 -4.601 2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.633 -4.601 2.775 1.00 0.00 H new ATOM 1488 N TYR A 102 6.886 -0.354 0.277 1.00 0.00 N ATOM 1489 CA TYR A 102 6.641 0.790 -0.592 1.00 0.00 C ATOM 1490 C TYR A 102 7.354 0.621 -1.930 1.00 0.00 C ATOM 1491 O TYR A 102 8.520 0.230 -1.981 1.00 0.00 O ATOM 1492 CB TYR A 102 7.105 2.081 0.085 1.00 0.00 C ATOM 1493 CG TYR A 102 8.599 2.302 0.009 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.206 2.672 -1.186 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.404 2.139 1.129 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.570 2.874 -1.261 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.769 2.340 1.063 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.348 2.708 -0.134 1.00 0.00 C ATOM 1499 OH TYR A 102 12.707 2.908 -0.203 1.00 0.00 O ATOM 0 H TYR A 102 7.856 -0.669 0.296 1.00 0.00 H new ATOM 0 HA TYR A 102 5.568 0.849 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.597 2.927 -0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.802 2.062 1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.600 2.804 -2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 102 8.955 1.850 2.068 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.025 3.161 -2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.380 2.210 1.944 1.00 0.00 H new ATOM 0 HH TYR A 102 13.012 2.765 -1.123 1.00 0.00 H new ATOM 1509 N PHE A 103 6.643 0.918 -3.013 1.00 0.00 N ATOM 1510 CA PHE A 103 7.206 0.799 -4.353 1.00 0.00 C ATOM 1511 C PHE A 103 8.415 1.714 -4.519 1.00 0.00 C ATOM 1512 O PHE A 103 8.328 2.922 -4.295 1.00 0.00 O ATOM 1513 CB PHE A 103 6.148 1.137 -5.406 1.00 0.00 C ATOM 1514 CG PHE A 103 6.502 0.661 -6.786 1.00 0.00 C ATOM 1515 CD1 PHE A 103 7.555 1.233 -7.481 1.00 0.00 C ATOM 1516 CD2 PHE A 103 5.781 -0.357 -7.388 1.00 0.00 C ATOM 1517 CE1 PHE A 103 7.884 0.798 -8.751 1.00 0.00 C ATOM 1518 CE2 PHE A 103 6.106 -0.797 -8.658 1.00 0.00 C ATOM 1519 CZ PHE A 103 7.158 -0.218 -9.340 1.00 0.00 C ATOM 0 H PHE A 103 5.676 1.243 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 103 7.531 -0.232 -4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.198 0.693 -5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.002 2.217 -5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.126 2.028 -7.025 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.956 -0.812 -6.860 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.708 1.252 -9.282 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.538 -1.593 -9.116 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.412 -0.559 -10.333 1.00 0.00 H new ATOM 1529 N ASP A 104 9.542 1.131 -4.912 1.00 0.00 N ATOM 1530 CA ASP A 104 10.770 1.893 -5.109 1.00 0.00 C ATOM 1531 C ASP A 104 10.944 2.274 -6.576 1.00 0.00 C ATOM 1532 O ASP A 104 11.576 1.552 -7.345 1.00 0.00 O ATOM 1533 CB ASP A 104 11.978 1.086 -4.632 1.00 0.00 C ATOM 1534 CG ASP A 104 13.102 1.970 -4.127 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.016 2.434 -2.971 1.00 0.00 O ATOM 1536 OD2 ASP A 104 14.066 2.198 -4.887 1.00 0.00 O ATOM 0 H ASP A 104 9.631 0.133 -5.101 1.00 0.00 H new ATOM 0 HA ASP A 104 10.699 2.808 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.667 0.408 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.345 0.469 -5.452 1.00 0.00 H new ATOM 1541 N GLY A 105 10.377 3.415 -6.957 1.00 0.00 N ATOM 1542 CA GLY A 105 10.479 3.872 -8.331 1.00 0.00 C ATOM 1543 C GLY A 105 11.916 4.069 -8.770 1.00 0.00 C ATOM 1544 O GLY A 105 12.304 3.641 -9.858 1.00 0.00 O ATOM 0 H GLY A 105 9.849 4.031 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.997 3.148 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.937 4.811 -8.440 1.00 0.00 H new ATOM 1602 N LYS A 110 12.833 -2.690 -12.277 1.00 0.00 N ATOM 1603 CA LYS A 110 11.418 -2.728 -11.925 1.00 0.00 C ATOM 1604 C LYS A 110 11.078 -4.015 -11.180 1.00 0.00 C ATOM 1605 O LYS A 110 10.063 -4.092 -10.487 1.00 0.00 O ATOM 1606 CB LYS A 110 10.555 -2.612 -13.183 1.00 0.00 C ATOM 1607 CG LYS A 110 10.747 -3.758 -14.161 1.00 0.00 C ATOM 1608 CD LYS A 110 9.843 -4.933 -13.828 1.00 0.00 C ATOM 1609 CE LYS A 110 9.473 -5.722 -15.074 1.00 0.00 C ATOM 1610 NZ LYS A 110 10.453 -6.808 -15.354 1.00 0.00 N ATOM 0 HA LYS A 110 11.209 -1.883 -11.269 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.506 -2.567 -12.891 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.786 -1.673 -13.687 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.538 -3.412 -15.173 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.788 -4.082 -14.143 1.00 0.00 H new ATOM 0 HD2 LYS A 110 10.344 -5.589 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.937 -4.570 -13.343 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.479 -6.153 -14.949 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.423 -5.048 -15.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.166 -7.322 -16.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.397 -6.395 -15.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.482 -7.466 -14.549 1.00 0.00 H new ATOM 1624 N SER A 111 11.933 -5.022 -11.325 1.00 0.00 N ATOM 1625 CA SER A 111 11.720 -6.306 -10.668 1.00 0.00 C ATOM 1626 C SER A 111 12.175 -6.252 -9.212 1.00 0.00 C ATOM 1627 O SER A 111 11.884 -7.153 -8.425 1.00 0.00 O ATOM 1628 CB SER A 111 12.473 -7.413 -11.408 1.00 0.00 C ATOM 1629 OG SER A 111 13.871 -7.303 -11.205 1.00 0.00 O ATOM 0 H SER A 111 12.780 -4.973 -11.892 1.00 0.00 H new ATOM 0 HA SER A 111 10.653 -6.525 -10.690 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.128 -8.387 -11.061 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.252 -7.358 -12.474 1.00 0.00 H new ATOM 0 HG SER A 111 14.329 -8.023 -11.687 1.00 0.00 H new ATOM 1635 N LYS A 112 12.890 -5.189 -8.861 1.00 0.00 N ATOM 1636 CA LYS A 112 13.385 -5.014 -7.501 1.00 0.00 C ATOM 1637 C LYS A 112 12.898 -3.695 -6.910 1.00 0.00 C ATOM 1638 O LYS A 112 13.621 -3.033 -6.165 1.00 0.00 O ATOM 1639 CB LYS A 112 14.915 -5.059 -7.483 1.00 0.00 C ATOM 1640 CG LYS A 112 15.493 -6.335 -8.072 1.00 0.00 C ATOM 1641 CD LYS A 112 16.977 -6.463 -7.775 1.00 0.00 C ATOM 1642 CE LYS A 112 17.525 -7.804 -8.240 1.00 0.00 C ATOM 1643 NZ LYS A 112 16.960 -8.936 -7.455 1.00 0.00 N ATOM 0 H LYS A 112 13.140 -4.435 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 112 12.996 -5.830 -6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.302 -4.205 -8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.261 -4.954 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.964 -7.197 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.335 -6.343 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.519 -5.656 -8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.146 -6.351 -6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.295 -7.944 -9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 112 18.611 -7.804 -8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.531 -9.790 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.974 -8.698 -6.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.980 -9.112 -7.755 1.00 0.00 H new ATOM 1657 N VAL A 113 11.668 -3.320 -7.245 1.00 0.00 N ATOM 1658 CA VAL A 113 11.083 -2.082 -6.745 1.00 0.00 C ATOM 1659 C VAL A 113 10.529 -2.265 -5.337 1.00 0.00 C ATOM 1660 O VAL A 113 10.524 -1.331 -4.535 1.00 0.00 O ATOM 1661 CB VAL A 113 9.956 -1.581 -7.668 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.508 -1.216 -9.037 1.00 0.00 C ATOM 1663 CG2 VAL A 113 8.860 -2.630 -7.787 1.00 0.00 C ATOM 0 H VAL A 113 11.057 -3.856 -7.861 1.00 0.00 H new ATOM 0 HA VAL A 113 11.882 -1.340 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 113 9.522 -0.683 -7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.697 -0.864 -9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.253 -0.428 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 113 10.970 -2.094 -9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.072 -2.260 -8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.277 -3.547 -8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.445 -2.836 -6.800 1.00 0.00 H new ATOM 1673 N TRP A 114 10.064 -3.473 -5.043 1.00 0.00 N ATOM 1674 CA TRP A 114 9.507 -3.779 -3.730 1.00 0.00 C ATOM 1675 C TRP A 114 10.556 -3.596 -2.638 1.00 0.00 C ATOM 1676 O TRP A 114 11.572 -4.292 -2.615 1.00 0.00 O ATOM 1677 CB TRP A 114 8.969 -5.210 -3.702 1.00 0.00 C ATOM 1678 CG TRP A 114 7.579 -5.333 -4.249 1.00 0.00 C ATOM 1679 CD1 TRP A 114 6.877 -4.377 -4.925 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.722 -6.477 -4.162 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.635 -4.857 -5.265 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.516 -6.143 -4.809 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.856 -7.750 -3.604 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.454 -7.038 -4.910 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.801 -8.637 -3.705 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.613 -8.278 -4.354 1.00 0.00 C ATOM 0 H TRP A 114 10.061 -4.257 -5.696 1.00 0.00 H new ATOM 0 HA TRP A 114 8.687 -3.086 -3.541 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.636 -5.853 -4.277 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.981 -5.575 -2.675 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.244 -3.388 -5.158 1.00 0.00 H new ATOM 0 HE1 TRP A 114 4.918 -4.340 -5.774 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.768 -8.036 -3.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.537 -6.763 -5.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.894 -9.624 -3.276 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.807 -8.994 -4.417 1.00 0.00 H new ATOM 1697 N THR A 115 10.304 -2.655 -1.733 1.00 0.00 N ATOM 1698 CA THR A 115 11.227 -2.380 -0.639 1.00 0.00 C ATOM 1699 C THR A 115 10.475 -2.110 0.659 1.00 0.00 C ATOM 1700 O THR A 115 9.559 -1.288 0.700 1.00 0.00 O ATOM 1701 CB THR A 115 12.131 -1.175 -0.956 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.863 -1.415 -2.164 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.100 -0.909 0.186 1.00 0.00 C ATOM 0 H THR A 115 9.468 -2.071 -1.736 1.00 0.00 H new ATOM 0 HA THR A 115 11.848 -3.268 -0.518 1.00 0.00 H new ATOM 0 HB THR A 115 11.497 -0.298 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.434 -0.643 -2.359 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.728 -0.053 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.540 -0.697 1.097 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.728 -1.786 0.342 1.00 0.00 H new ATOM 1711 N THR A 116 10.869 -2.806 1.722 1.00 0.00 N ATOM 1712 CA THR A 116 10.232 -2.641 3.022 1.00 0.00 C ATOM 1713 C THR A 116 10.686 -1.351 3.697 1.00 0.00 C ATOM 1714 O THR A 116 11.729 -0.794 3.355 1.00 0.00 O ATOM 1715 CB THR A 116 10.539 -3.829 3.953 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.942 -3.880 4.236 1.00 0.00 O ATOM 1717 CG2 THR A 116 10.097 -5.140 3.321 1.00 0.00 C ATOM 0 H THR A 116 11.626 -3.489 1.707 1.00 0.00 H new ATOM 0 HA THR A 116 9.158 -2.597 2.844 1.00 0.00 H new ATOM 0 HB THR A 116 9.986 -3.686 4.881 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.078 -3.954 5.204 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.324 -5.964 3.997 1.00 0.00 H new ATOM 0 HG22 THR A 116 9.024 -5.110 3.133 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.626 -5.287 2.379 1.00 0.00 H new ATOM 1725 N ASP A 117 9.896 -0.881 4.656 1.00 0.00 N ATOM 1726 CA ASP A 117 10.217 0.343 5.380 1.00 0.00 C ATOM 1727 C ASP A 117 9.235 0.572 6.524 1.00 0.00 C ATOM 1728 O ASP A 117 8.150 -0.011 6.552 1.00 0.00 O ATOM 1729 CB ASP A 117 10.202 1.542 4.431 1.00 0.00 C ATOM 1730 CG ASP A 117 11.133 2.650 4.881 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.237 2.334 5.372 1.00 0.00 O ATOM 1732 OD2 ASP A 117 10.758 3.833 4.743 1.00 0.00 O ATOM 0 H ASP A 117 9.028 -1.329 4.950 1.00 0.00 H new ATOM 0 HA ASP A 117 11.217 0.235 5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.489 1.214 3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.187 1.932 4.359 1.00 0.00 H new ATOM 1737 N THR A 118 9.621 1.424 7.469 1.00 0.00 N ATOM 1738 CA THR A 118 8.776 1.728 8.616 1.00 0.00 C ATOM 1739 C THR A 118 7.434 2.300 8.175 1.00 0.00 C ATOM 1740 O THR A 118 7.342 2.973 7.148 1.00 0.00 O ATOM 1741 CB THR A 118 9.459 2.728 9.568 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.613 2.991 10.692 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.775 4.031 8.848 1.00 0.00 C ATOM 0 H THR A 118 10.515 1.916 7.462 1.00 0.00 H new ATOM 0 HA THR A 118 8.611 0.789 9.144 1.00 0.00 H new ATOM 0 HB THR A 118 10.394 2.286 9.914 1.00 0.00 H new ATOM 0 HG1 THR A 118 9.055 3.626 11.293 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.257 4.722 9.540 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.444 3.831 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.851 4.475 8.477 1.00 0.00 H new ATOM 1751 N CYS A 119 6.394 2.029 8.956 1.00 0.00 N ATOM 1752 CA CYS A 119 5.056 2.517 8.646 1.00 0.00 C ATOM 1753 C CYS A 119 4.819 3.888 9.272 1.00 0.00 C ATOM 1754 O CYS A 119 3.688 4.244 9.601 1.00 0.00 O ATOM 1755 CB CYS A 119 4.001 1.527 9.145 1.00 0.00 C ATOM 1756 SG CYS A 119 4.386 -0.216 8.780 1.00 0.00 S ATOM 0 H CYS A 119 6.452 1.473 9.809 1.00 0.00 H new ATOM 0 HA CYS A 119 4.972 2.612 7.563 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.888 1.645 10.223 1.00 0.00 H new ATOM 0 HB3 CYS A 119 3.041 1.778 8.695 1.00 0.00 H new ATOM 1761 N ALA A 120 5.893 4.653 9.433 1.00 0.00 N ATOM 1762 CA ALA A 120 5.802 5.986 10.016 1.00 0.00 C ATOM 1763 C ALA A 120 6.385 7.037 9.078 1.00 0.00 C ATOM 1764 O ALA A 120 6.176 8.236 9.264 1.00 0.00 O ATOM 1765 CB ALA A 120 6.514 6.023 11.361 1.00 0.00 C ATOM 0 H ALA A 120 6.837 4.372 9.168 1.00 0.00 H new ATOM 0 HA ALA A 120 4.748 6.218 10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.438 7.024 11.785 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.050 5.306 12.038 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.564 5.765 11.224 1.00 0.00 H new ATOM 1771 N THR A 121 7.119 6.580 8.067 1.00 0.00 N ATOM 1772 CA THR A 121 7.734 7.481 7.101 1.00 0.00 C ATOM 1773 C THR A 121 6.688 8.091 6.175 1.00 0.00 C ATOM 1774 O THR A 121 5.935 7.388 5.502 1.00 0.00 O ATOM 1775 CB THR A 121 8.795 6.755 6.252 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.863 6.298 7.088 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.346 7.674 5.172 1.00 0.00 C ATOM 0 H THR A 121 7.301 5.591 7.897 1.00 0.00 H new ATOM 0 HA THR A 121 8.217 8.274 7.671 1.00 0.00 H new ATOM 0 HB THR A 121 8.320 5.900 5.771 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.532 5.836 6.541 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.093 7.139 4.586 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.535 7.996 4.519 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.806 8.547 5.636 1.00 0.00 H new ATOM 1785 N PRO A 122 6.640 9.431 6.137 1.00 0.00 N ATOM 1786 CA PRO A 122 5.690 10.165 5.295 1.00 0.00 C ATOM 1787 C PRO A 122 6.013 10.037 3.810 1.00 0.00 C ATOM 1788 O PRO A 122 6.983 10.618 3.324 1.00 0.00 O ATOM 1789 CB PRO A 122 5.856 11.615 5.756 1.00 0.00 C ATOM 1790 CG PRO A 122 7.238 11.682 6.308 1.00 0.00 C ATOM 1791 CD PRO A 122 7.508 10.332 6.913 1.00 0.00 C ATOM 0 HA PRO A 122 4.674 9.784 5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.727 12.311 4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.115 11.877 6.511 1.00 0.00 H new ATOM 0 HG2 PRO A 122 7.961 11.910 5.524 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.321 12.469 7.057 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.558 10.054 6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.262 10.311 7.975 1.00 0.00 H new ATOM 1799 N ARG A 123 5.193 9.274 3.095 1.00 0.00 N ATOM 1800 CA ARG A 123 5.392 9.070 1.665 1.00 0.00 C ATOM 1801 C ARG A 123 4.058 9.071 0.925 1.00 0.00 C ATOM 1802 O ARG A 123 2.996 8.857 1.509 1.00 0.00 O ATOM 1803 CB ARG A 123 6.126 7.751 1.414 1.00 0.00 C ATOM 1804 CG ARG A 123 7.640 7.877 1.468 1.00 0.00 C ATOM 1805 CD ARG A 123 8.316 6.843 0.581 1.00 0.00 C ATOM 1806 NE ARG A 123 9.732 6.689 0.902 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.654 7.601 0.616 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.311 8.727 0.006 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.923 7.388 0.941 1.00 0.00 N ATOM 0 H ARG A 123 4.385 8.787 3.482 1.00 0.00 H new ATOM 0 HA ARG A 123 5.998 9.893 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.804 7.019 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.837 7.364 0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 123 7.935 8.878 1.152 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.980 7.754 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.812 5.883 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.211 7.137 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 123 10.029 5.834 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.337 8.895 -0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.021 9.426 -0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.191 6.523 1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.630 8.089 0.721 1.00 0.00 H new ATOM 1823 N PRO A 124 4.112 9.319 -0.392 1.00 0.00 N ATOM 1824 CA PRO A 124 2.917 9.354 -1.241 1.00 0.00 C ATOM 1825 C PRO A 124 2.297 7.973 -1.427 1.00 0.00 C ATOM 1826 O PRO A 124 2.915 6.956 -1.110 1.00 0.00 O ATOM 1827 CB PRO A 124 3.446 9.886 -2.575 1.00 0.00 C ATOM 1828 CG PRO A 124 4.889 9.516 -2.586 1.00 0.00 C ATOM 1829 CD PRO A 124 5.344 9.582 -1.155 1.00 0.00 C ATOM 0 HA PRO A 124 2.126 9.964 -0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.917 9.440 -3.417 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.314 10.965 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.032 8.516 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.463 10.201 -3.210 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.114 8.840 -0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.766 10.557 -0.912 1.00 0.00 H new ATOM 1837 N PHE A 125 1.073 7.944 -1.942 1.00 0.00 N ATOM 1838 CA PHE A 125 0.369 6.687 -2.169 1.00 0.00 C ATOM 1839 C PHE A 125 -0.544 6.788 -3.388 1.00 0.00 C ATOM 1840 O PHE A 125 -0.548 7.799 -4.092 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.451 6.307 -0.934 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.297 7.430 -0.407 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.712 8.521 0.217 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.676 7.396 -0.535 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.489 9.556 0.704 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.457 8.428 -0.050 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.862 9.510 0.569 1.00 0.00 C ATOM 0 H PHE A 125 0.548 8.776 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 125 1.112 5.912 -2.356 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.095 5.463 -1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.225 5.972 -0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.362 8.563 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.146 6.553 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.022 10.400 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.531 8.388 -0.155 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.470 10.319 0.947 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.315 5.733 -3.631 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.232 5.703 -4.764 1.00 0.00 C ATOM 1859 C ILE A 126 -3.526 4.981 -4.404 1.00 0.00 C ATOM 1860 O ILE A 126 -3.506 3.834 -3.957 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.595 5.013 -5.985 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.387 5.813 -6.478 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.621 4.853 -7.097 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.240 5.249 -7.733 1.00 0.00 C ATOM 0 H ILE A 126 -1.323 4.889 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.455 6.739 -5.018 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.253 4.022 -5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.695 6.842 -6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.364 5.844 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.156 4.364 -7.953 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.453 4.246 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.990 5.834 -7.396 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.090 5.866 -8.024 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.579 4.230 -7.544 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.496 5.243 -8.537 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.651 5.660 -4.603 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.956 5.084 -4.302 1.00 0.00 C ATOM 1878 C CYS A 127 -6.490 4.294 -5.493 1.00 0.00 C ATOM 1879 O CYS A 127 -6.256 4.657 -6.645 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.946 6.186 -3.921 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.378 7.260 -2.564 1.00 0.00 S ATOM 0 H CYS A 127 -4.685 6.610 -4.972 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.839 4.402 -3.460 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -7.143 6.801 -4.799 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.892 5.726 -3.635 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.208 3.213 -5.205 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.775 2.372 -6.252 1.00 0.00 C ATOM 1888 C GLN A 128 -9.225 2.018 -5.941 1.00 0.00 C ATOM 1889 O GLN A 128 -9.611 1.902 -4.777 1.00 0.00 O ATOM 1890 CB GLN A 128 -6.949 1.094 -6.412 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.506 0.136 -7.452 1.00 0.00 C ATOM 1892 CD GLN A 128 -7.065 -1.296 -7.222 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -7.882 -2.217 -7.223 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -5.766 -1.491 -7.024 1.00 0.00 N ATOM 0 H GLN A 128 -7.411 2.899 -4.256 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.750 2.933 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.929 1.363 -6.687 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.896 0.583 -5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.595 0.183 -7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.186 0.456 -8.444 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -5.124 -0.698 -7.031 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -5.410 -2.434 -6.865 1.00 0.00 H new