USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 440 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 56 ASN : amide:sc= 0 X(o=0.026,f=0.027) USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0265 USER MOD Set 2.1: A 4 THR OG1 : rot -139:sc= 1.03 USER MOD Set 2.2: A 39 GLN : amide:sc= 1.18 K(o=2.2,f=-1.8!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 8 ASN : amide:sc= 0.413 K(o=0.41,f=-6.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.128 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.163 (180deg=-0.475) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0206 K(o=-0.021,f=-0.85) USER MOD Single : A 22 SER OG : rot 86:sc= 0.0857 USER MOD Single : A 23 MET CE :methyl 152:sc=-0.00221 (180deg=-0.518) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.14 USER MOD Single : A 38 SER OG : rot -140:sc= -0.282 USER MOD Single : A 43 SER OG : rot 62:sc= 0.78 USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0474) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 1.22 (180deg=1.1) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.668 K(o=-0.67,f=-3.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 62 ASN : amide:sc= 0.0313 K(o=0.031,f=-4.3!) USER MOD Single : A 65 ASN : amide:sc= -2.59! C(o=-2.6!,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 -0.137 13.570 -4.252 1.00 0.00 N ATOM 15 CA ALA A 2 1.050 12.825 -4.643 1.00 0.00 C ATOM 16 C ALA A 2 2.116 12.920 -3.559 1.00 0.00 C ATOM 17 O ALA A 2 2.931 13.845 -3.548 1.00 0.00 O ATOM 18 CB ALA A 2 1.584 13.340 -5.968 1.00 0.00 C ATOM 0 HA ALA A 2 0.780 11.776 -4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.472 12.773 -6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.821 13.223 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.842 14.394 -5.871 1.00 0.00 H new ATOM 24 N THR A 3 2.099 11.961 -2.652 1.00 0.00 N ATOM 25 CA THR A 3 2.995 11.960 -1.511 1.00 0.00 C ATOM 26 C THR A 3 4.389 11.461 -1.891 1.00 0.00 C ATOM 27 O THR A 3 4.533 10.502 -2.655 1.00 0.00 O ATOM 28 CB THR A 3 2.417 11.077 -0.392 1.00 0.00 C ATOM 29 OG1 THR A 3 1.085 10.665 -0.748 1.00 0.00 O ATOM 30 CG2 THR A 3 2.387 11.832 0.929 1.00 0.00 C ATOM 0 H THR A 3 1.465 11.163 -2.685 1.00 0.00 H new ATOM 0 HA THR A 3 3.088 12.988 -1.160 1.00 0.00 H new ATOM 0 HB THR A 3 3.054 10.201 -0.273 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.716 10.101 -0.037 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.975 11.189 1.706 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.400 12.128 1.202 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.765 12.721 0.826 1.00 0.00 H new ATOM 38 N THR A 4 5.414 12.124 -1.367 1.00 0.00 N ATOM 39 CA THR A 4 6.793 11.728 -1.614 1.00 0.00 C ATOM 40 C THR A 4 7.217 10.627 -0.650 1.00 0.00 C ATOM 41 O THR A 4 7.722 10.898 0.441 1.00 0.00 O ATOM 42 CB THR A 4 7.765 12.919 -1.479 1.00 0.00 C ATOM 43 OG1 THR A 4 7.077 14.155 -1.734 1.00 0.00 O ATOM 44 CG2 THR A 4 8.932 12.772 -2.442 1.00 0.00 C ATOM 0 H THR A 4 5.314 12.942 -0.766 1.00 0.00 H new ATOM 0 HA THR A 4 6.838 11.358 -2.638 1.00 0.00 H new ATOM 0 HB THR A 4 8.152 12.929 -0.460 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.649 14.744 -2.269 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.605 13.622 -2.330 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.471 11.851 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.557 12.738 -3.465 1.00 0.00 H new ATOM 52 N ILE A 5 6.995 9.388 -1.047 1.00 0.00 N ATOM 53 CA ILE A 5 7.389 8.254 -0.235 1.00 0.00 C ATOM 54 C ILE A 5 8.879 7.990 -0.408 1.00 0.00 C ATOM 55 O ILE A 5 9.346 7.723 -1.514 1.00 0.00 O ATOM 56 CB ILE A 5 6.571 6.983 -0.583 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.295 5.725 -0.104 1.00 0.00 C ATOM 58 CG2 ILE A 5 6.296 6.900 -2.077 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.397 4.744 0.611 1.00 0.00 C ATOM 0 H ILE A 5 6.543 9.142 -1.928 1.00 0.00 H new ATOM 0 HA ILE A 5 7.181 8.498 0.807 1.00 0.00 H new ATOM 0 HB ILE A 5 5.614 7.051 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.750 5.229 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.106 6.015 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.721 5.999 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.729 7.776 -2.392 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.241 6.865 -2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.980 3.877 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.962 5.222 1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.600 4.424 -0.060 1.00 0.00 H new ATOM 71 N GLY A 6 9.625 8.109 0.679 1.00 0.00 N ATOM 72 CA GLY A 6 11.052 7.879 0.625 1.00 0.00 C ATOM 73 C GLY A 6 11.411 6.483 1.087 1.00 0.00 C ATOM 74 O GLY A 6 10.714 5.525 0.753 1.00 0.00 O ATOM 0 H GLY A 6 9.266 8.361 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.406 8.027 -0.395 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.563 8.612 1.250 1.00 0.00 H new ATOM 78 N PRO A 7 12.486 6.333 1.872 1.00 0.00 N ATOM 79 CA PRO A 7 12.912 5.039 2.398 1.00 0.00 C ATOM 80 C PRO A 7 12.049 4.614 3.580 1.00 0.00 C ATOM 81 O PRO A 7 12.481 4.662 4.734 1.00 0.00 O ATOM 82 CB PRO A 7 14.366 5.281 2.843 1.00 0.00 C ATOM 83 CG PRO A 7 14.699 6.674 2.414 1.00 0.00 C ATOM 84 CD PRO A 7 13.392 7.399 2.296 1.00 0.00 C ATOM 0 HA PRO A 7 12.822 4.240 1.662 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.468 5.170 3.923 1.00 0.00 H new ATOM 0 HB3 PRO A 7 15.041 4.559 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.350 7.160 3.141 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.230 6.672 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 7 13.085 7.842 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.439 8.208 1.567 1.00 0.00 H new ATOM 92 N ASN A 8 10.818 4.217 3.260 1.00 0.00 N ATOM 93 CA ASN A 8 9.822 3.797 4.245 1.00 0.00 C ATOM 94 C ASN A 8 9.266 4.996 5.003 1.00 0.00 C ATOM 95 O ASN A 8 9.978 5.673 5.747 1.00 0.00 O ATOM 96 CB ASN A 8 10.380 2.759 5.231 1.00 0.00 C ATOM 97 CG ASN A 8 9.317 2.259 6.190 1.00 0.00 C ATOM 98 OD1 ASN A 8 8.125 2.286 5.881 1.00 0.00 O ATOM 99 ND2 ASN A 8 9.731 1.807 7.360 1.00 0.00 N ATOM 0 H ASN A 8 10.480 4.178 2.298 1.00 0.00 H new ATOM 0 HA ASN A 8 9.013 3.322 3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.793 1.917 4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.200 3.201 5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.055 1.465 8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.727 1.800 7.581 1.00 0.00 H new ATOM 106 N THR A 9 7.988 5.257 4.793 1.00 0.00 N ATOM 107 CA THR A 9 7.296 6.332 5.484 1.00 0.00 C ATOM 108 C THR A 9 6.725 5.836 6.813 1.00 0.00 C ATOM 109 O THR A 9 6.381 6.627 7.694 1.00 0.00 O ATOM 110 CB THR A 9 6.163 6.881 4.595 1.00 0.00 C ATOM 111 OG1 THR A 9 6.648 7.038 3.254 1.00 0.00 O ATOM 112 CG2 THR A 9 5.644 8.217 5.108 1.00 0.00 C ATOM 0 H THR A 9 7.403 4.733 4.142 1.00 0.00 H new ATOM 0 HA THR A 9 8.009 7.130 5.691 1.00 0.00 H new ATOM 0 HB THR A 9 5.337 6.170 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.930 7.385 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.846 8.572 4.456 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.257 8.093 6.120 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.456 8.944 5.117 1.00 0.00 H new ATOM 120 N CYS A 10 6.659 4.521 6.967 1.00 0.00 N ATOM 121 CA CYS A 10 6.091 3.918 8.163 1.00 0.00 C ATOM 122 C CYS A 10 7.183 3.276 9.015 1.00 0.00 C ATOM 123 O CYS A 10 7.325 2.052 9.045 1.00 0.00 O ATOM 124 CB CYS A 10 5.035 2.875 7.780 1.00 0.00 C ATOM 125 SG CYS A 10 3.727 3.508 6.677 1.00 0.00 S ATOM 0 H CYS A 10 6.993 3.850 6.276 1.00 0.00 H new ATOM 0 HA CYS A 10 5.614 4.703 8.750 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.530 2.034 7.294 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.574 2.490 8.689 1.00 0.00 H new ATOM 130 N SER A 11 7.962 4.101 9.701 1.00 0.00 N ATOM 131 CA SER A 11 9.015 3.610 10.582 1.00 0.00 C ATOM 132 C SER A 11 8.428 3.100 11.899 1.00 0.00 C ATOM 133 O SER A 11 8.835 3.526 12.982 1.00 0.00 O ATOM 134 CB SER A 11 10.017 4.732 10.848 1.00 0.00 C ATOM 135 OG SER A 11 9.745 5.854 10.019 1.00 0.00 O ATOM 0 H SER A 11 7.885 5.117 9.665 1.00 0.00 H new ATOM 0 HA SER A 11 9.523 2.777 10.096 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.970 5.028 11.896 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.030 4.374 10.663 1.00 0.00 H new ATOM 0 HG SER A 11 10.396 6.563 10.204 1.00 0.00 H new ATOM 141 N ILE A 12 7.470 2.188 11.797 1.00 0.00 N ATOM 142 CA ILE A 12 6.798 1.643 12.966 1.00 0.00 C ATOM 143 C ILE A 12 6.848 0.123 12.947 1.00 0.00 C ATOM 144 O ILE A 12 6.102 -0.518 12.206 1.00 0.00 O ATOM 145 CB ILE A 12 5.319 2.094 13.045 1.00 0.00 C ATOM 146 CG1 ILE A 12 5.204 3.607 12.847 1.00 0.00 C ATOM 147 CG2 ILE A 12 4.709 1.688 14.379 1.00 0.00 C ATOM 148 CD1 ILE A 12 4.275 3.999 11.719 1.00 0.00 C ATOM 0 H ILE A 12 7.140 1.809 10.909 1.00 0.00 H new ATOM 0 HA ILE A 12 7.324 2.024 13.841 1.00 0.00 H new ATOM 0 HB ILE A 12 4.768 1.599 12.245 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.850 4.061 13.773 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.195 4.016 12.650 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.669 2.013 14.418 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.755 0.604 14.485 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.266 2.156 15.191 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.242 5.085 11.636 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.639 3.574 10.783 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.274 3.620 11.924 1.00 0.00 H new ATOM 160 N ASP A 13 7.748 -0.438 13.752 1.00 0.00 N ATOM 161 CA ASP A 13 7.880 -1.889 13.892 1.00 0.00 C ATOM 162 C ASP A 13 8.193 -2.545 12.545 1.00 0.00 C ATOM 163 O ASP A 13 9.311 -2.440 12.044 1.00 0.00 O ATOM 164 CB ASP A 13 6.604 -2.483 14.513 1.00 0.00 C ATOM 165 CG ASP A 13 6.717 -3.971 14.783 1.00 0.00 C ATOM 166 OD1 ASP A 13 7.615 -4.378 15.547 1.00 0.00 O ATOM 167 OD2 ASP A 13 5.909 -4.738 14.226 1.00 0.00 O ATOM 0 H ASP A 13 8.403 0.096 14.323 1.00 0.00 H new ATOM 0 HA ASP A 13 8.716 -2.095 14.561 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.385 -1.965 15.447 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.763 -2.303 13.844 1.00 0.00 H new ATOM 172 N ASP A 14 7.201 -3.203 11.961 1.00 0.00 N ATOM 173 CA ASP A 14 7.367 -3.884 10.684 1.00 0.00 C ATOM 174 C ASP A 14 6.194 -3.558 9.763 1.00 0.00 C ATOM 175 O ASP A 14 5.743 -4.383 8.968 1.00 0.00 O ATOM 176 CB ASP A 14 7.480 -5.397 10.911 1.00 0.00 C ATOM 177 CG ASP A 14 7.782 -6.171 9.641 1.00 0.00 C ATOM 178 OD1 ASP A 14 8.684 -5.766 8.881 1.00 0.00 O ATOM 179 OD2 ASP A 14 7.098 -7.183 9.388 1.00 0.00 O ATOM 0 H ASP A 14 6.264 -3.280 12.356 1.00 0.00 H new ATOM 0 HA ASP A 14 8.284 -3.538 10.206 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.265 -5.591 11.642 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.548 -5.764 11.340 1.00 0.00 H new ATOM 184 N TYR A 15 5.688 -2.343 9.889 1.00 0.00 N ATOM 185 CA TYR A 15 4.594 -1.887 9.047 1.00 0.00 C ATOM 186 C TYR A 15 5.132 -1.378 7.716 1.00 0.00 C ATOM 187 O TYR A 15 5.862 -0.389 7.670 1.00 0.00 O ATOM 188 CB TYR A 15 3.790 -0.791 9.750 1.00 0.00 C ATOM 189 CG TYR A 15 2.453 -1.265 10.277 1.00 0.00 C ATOM 190 CD1 TYR A 15 1.792 -2.336 9.690 1.00 0.00 C ATOM 191 CD2 TYR A 15 1.852 -0.643 11.364 1.00 0.00 C ATOM 192 CE1 TYR A 15 0.574 -2.775 10.170 1.00 0.00 C ATOM 193 CE2 TYR A 15 0.635 -1.077 11.851 1.00 0.00 C ATOM 194 CZ TYR A 15 0.000 -2.141 11.250 1.00 0.00 C ATOM 195 OH TYR A 15 -1.211 -2.577 11.735 1.00 0.00 O ATOM 0 H TYR A 15 6.017 -1.654 10.566 1.00 0.00 H new ATOM 0 HA TYR A 15 3.930 -2.730 8.858 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.378 -0.395 10.578 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.626 0.031 9.054 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.239 -2.835 8.843 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.345 0.194 11.836 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.074 -3.610 9.702 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.183 -0.584 12.699 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.476 -2.023 12.499 1.00 0.00 H new ATOM 205 N LYS A 16 4.776 -2.064 6.641 1.00 0.00 N ATOM 206 CA LYS A 16 5.236 -1.692 5.314 1.00 0.00 C ATOM 207 C LYS A 16 4.315 -0.635 4.714 1.00 0.00 C ATOM 208 O LYS A 16 3.096 -0.696 4.886 1.00 0.00 O ATOM 209 CB LYS A 16 5.290 -2.924 4.407 1.00 0.00 C ATOM 210 CG LYS A 16 6.535 -3.772 4.600 1.00 0.00 C ATOM 211 CD LYS A 16 6.210 -5.098 5.271 1.00 0.00 C ATOM 212 CE LYS A 16 7.452 -5.730 5.876 1.00 0.00 C ATOM 213 NZ LYS A 16 7.127 -6.925 6.696 1.00 0.00 N ATOM 0 H LYS A 16 4.169 -2.883 6.663 1.00 0.00 H new ATOM 0 HA LYS A 16 6.240 -1.275 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.410 -3.540 4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.239 -2.601 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.003 -3.958 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.258 -3.225 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.464 -4.941 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.771 -5.779 4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.139 -6.014 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.968 -4.995 6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.989 -7.486 6.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.743 -6.622 7.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.420 -7.505 6.200 1.00 0.00 H new ATOM 227 N PRO A 17 4.889 0.358 4.024 1.00 0.00 N ATOM 228 CA PRO A 17 4.116 1.407 3.362 1.00 0.00 C ATOM 229 C PRO A 17 3.547 0.938 2.024 1.00 0.00 C ATOM 230 O PRO A 17 4.250 0.327 1.215 1.00 0.00 O ATOM 231 CB PRO A 17 5.151 2.512 3.155 1.00 0.00 C ATOM 232 CG PRO A 17 6.447 1.793 3.008 1.00 0.00 C ATOM 233 CD PRO A 17 6.340 0.541 3.840 1.00 0.00 C ATOM 0 HA PRO A 17 3.249 1.721 3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.925 3.106 2.269 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.173 3.198 4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.639 1.549 1.963 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.276 2.414 3.347 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.789 -0.314 3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.853 0.652 4.796 1.00 0.00 H new ATOM 241 N TYR A 18 2.271 1.210 1.804 1.00 0.00 N ATOM 242 CA TYR A 18 1.604 0.818 0.573 1.00 0.00 C ATOM 243 C TYR A 18 0.806 1.984 -0.005 1.00 0.00 C ATOM 244 O TYR A 18 0.010 2.612 0.693 1.00 0.00 O ATOM 245 CB TYR A 18 0.666 -0.364 0.831 1.00 0.00 C ATOM 246 CG TYR A 18 1.373 -1.667 1.130 1.00 0.00 C ATOM 247 CD1 TYR A 18 1.830 -2.482 0.103 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.571 -2.085 2.436 1.00 0.00 C ATOM 249 CE1 TYR A 18 2.468 -3.677 0.372 1.00 0.00 C ATOM 250 CE2 TYR A 18 2.209 -3.278 2.714 1.00 0.00 C ATOM 251 CZ TYR A 18 2.655 -4.070 1.678 1.00 0.00 C ATOM 252 OH TYR A 18 3.288 -5.260 1.954 1.00 0.00 O ATOM 0 H TYR A 18 1.673 1.704 2.467 1.00 0.00 H new ATOM 0 HA TYR A 18 2.368 0.523 -0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.013 -0.118 1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.027 -0.503 -0.041 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.684 -2.177 -0.923 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.221 -1.468 3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.818 -4.300 -0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.358 -3.589 3.738 1.00 0.00 H new ATOM 0 HH TYR A 18 3.339 -5.386 2.925 1.00 0.00 H new ATOM 262 N CYS A 19 1.023 2.271 -1.279 1.00 0.00 N ATOM 263 CA CYS A 19 0.280 3.320 -1.963 1.00 0.00 C ATOM 264 C CYS A 19 -1.069 2.776 -2.416 1.00 0.00 C ATOM 265 O CYS A 19 -1.156 2.031 -3.391 1.00 0.00 O ATOM 266 CB CYS A 19 1.079 3.859 -3.155 1.00 0.00 C ATOM 267 SG CYS A 19 2.802 4.306 -2.747 1.00 0.00 S ATOM 0 H CYS A 19 1.709 1.792 -1.862 1.00 0.00 H new ATOM 0 HA CYS A 19 0.114 4.147 -1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.086 3.108 -3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.571 4.737 -3.554 1.00 0.00 H new ATOM 272 N CYS A 20 -2.114 3.137 -1.686 1.00 0.00 N ATOM 273 CA CYS A 20 -3.437 2.569 -1.905 1.00 0.00 C ATOM 274 C CYS A 20 -4.332 3.501 -2.707 1.00 0.00 C ATOM 275 O CYS A 20 -4.453 4.690 -2.395 1.00 0.00 O ATOM 276 CB CYS A 20 -4.094 2.251 -0.561 1.00 0.00 C ATOM 277 SG CYS A 20 -5.135 0.760 -0.583 1.00 0.00 S ATOM 0 H CYS A 20 -2.071 3.824 -0.933 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.311 1.653 -2.483 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.316 2.128 0.192 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.702 3.102 -0.255 1.00 0.00 H new ATOM 282 N GLN A 21 -4.960 2.950 -3.738 1.00 0.00 N ATOM 283 CA GLN A 21 -5.889 3.703 -4.569 1.00 0.00 C ATOM 284 C GLN A 21 -7.254 3.789 -3.888 1.00 0.00 C ATOM 285 O GLN A 21 -7.618 2.919 -3.095 1.00 0.00 O ATOM 286 CB GLN A 21 -6.022 3.057 -5.955 1.00 0.00 C ATOM 287 CG GLN A 21 -4.767 2.326 -6.415 1.00 0.00 C ATOM 288 CD GLN A 21 -3.822 3.208 -7.211 1.00 0.00 C ATOM 289 OE1 GLN A 21 -3.929 4.437 -7.202 1.00 0.00 O ATOM 290 NE2 GLN A 21 -2.886 2.586 -7.912 1.00 0.00 N ATOM 0 H GLN A 21 -4.841 1.977 -4.020 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.498 4.712 -4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.855 2.355 -5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.269 3.829 -6.683 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.242 1.935 -5.544 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.055 1.470 -7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.828 1.568 -7.895 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.223 3.125 -8.469 1.00 0.00 H new ATOM 299 N SER A 22 -7.999 4.839 -4.193 1.00 0.00 N ATOM 300 CA SER A 22 -9.274 5.095 -3.539 1.00 0.00 C ATOM 301 C SER A 22 -10.402 4.248 -4.135 1.00 0.00 C ATOM 302 O SER A 22 -11.118 4.686 -5.035 1.00 0.00 O ATOM 303 CB SER A 22 -9.610 6.584 -3.653 1.00 0.00 C ATOM 304 OG SER A 22 -8.523 7.301 -4.222 1.00 0.00 O ATOM 0 H SER A 22 -7.741 5.533 -4.895 1.00 0.00 H new ATOM 0 HA SER A 22 -9.182 4.815 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.500 6.715 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.841 6.986 -2.667 1.00 0.00 H new ATOM 0 HG SER A 22 -8.585 7.267 -5.199 1.00 0.00 H new ATOM 310 N MET A 23 -10.550 3.026 -3.639 1.00 0.00 N ATOM 311 CA MET A 23 -11.666 2.175 -4.038 1.00 0.00 C ATOM 312 C MET A 23 -12.859 2.416 -3.123 1.00 0.00 C ATOM 313 O MET A 23 -13.853 3.021 -3.523 1.00 0.00 O ATOM 314 CB MET A 23 -11.268 0.698 -3.996 1.00 0.00 C ATOM 315 CG MET A 23 -10.496 0.241 -5.223 1.00 0.00 C ATOM 316 SD MET A 23 -8.808 -0.259 -4.837 1.00 0.00 S ATOM 317 CE MET A 23 -8.164 -0.568 -6.481 1.00 0.00 C ATOM 0 H MET A 23 -9.915 2.603 -2.963 1.00 0.00 H new ATOM 0 HA MET A 23 -11.940 2.429 -5.062 1.00 0.00 H new ATOM 0 HB2 MET A 23 -10.662 0.519 -3.108 1.00 0.00 H new ATOM 0 HB3 MET A 23 -12.168 0.091 -3.896 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.021 -0.594 -5.687 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.473 1.049 -5.954 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.087 -0.397 -6.488 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.370 -1.600 -6.764 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.643 0.106 -7.192 1.00 0.00 H new ATOM 327 N SER A 24 -12.746 1.955 -1.888 1.00 0.00 N ATOM 328 CA SER A 24 -13.794 2.139 -0.899 1.00 0.00 C ATOM 329 C SER A 24 -13.193 2.151 0.501 1.00 0.00 C ATOM 330 O SER A 24 -13.285 3.140 1.227 1.00 0.00 O ATOM 331 CB SER A 24 -14.833 1.020 -1.015 1.00 0.00 C ATOM 332 OG SER A 24 -14.211 -0.217 -1.341 1.00 0.00 O ATOM 0 H SER A 24 -11.931 1.446 -1.545 1.00 0.00 H new ATOM 0 HA SER A 24 -14.286 3.094 -1.082 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.375 0.922 -0.074 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.566 1.276 -1.780 1.00 0.00 H new ATOM 0 HG SER A 24 -14.892 -0.918 -1.408 1.00 0.00 H new ATOM 338 N GLY A 25 -12.555 1.047 0.862 1.00 0.00 N ATOM 339 CA GLY A 25 -11.982 0.926 2.182 1.00 0.00 C ATOM 340 C GLY A 25 -12.853 0.092 3.091 1.00 0.00 C ATOM 341 O GLY A 25 -12.458 -0.257 4.200 1.00 0.00 O ATOM 0 H GLY A 25 -12.425 0.233 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.993 0.474 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.849 1.918 2.614 1.00 0.00 H new ATOM 345 N SER A 26 -14.042 -0.237 2.610 1.00 0.00 N ATOM 346 CA SER A 26 -14.992 -1.024 3.383 1.00 0.00 C ATOM 347 C SER A 26 -15.247 -2.367 2.707 1.00 0.00 C ATOM 348 O SER A 26 -16.344 -2.925 2.788 1.00 0.00 O ATOM 349 CB SER A 26 -16.300 -0.247 3.539 1.00 0.00 C ATOM 350 OG SER A 26 -16.290 0.933 2.749 1.00 0.00 O ATOM 0 H SER A 26 -14.374 0.030 1.683 1.00 0.00 H new ATOM 0 HA SER A 26 -14.573 -1.214 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.139 -0.878 3.245 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.449 0.014 4.587 1.00 0.00 H new ATOM 0 HG SER A 26 -17.138 1.411 2.865 1.00 0.00 H new ATOM 356 N ALA A 27 -14.226 -2.873 2.032 1.00 0.00 N ATOM 357 CA ALA A 27 -14.322 -4.143 1.323 1.00 0.00 C ATOM 358 C ALA A 27 -12.935 -4.676 1.004 1.00 0.00 C ATOM 359 O ALA A 27 -12.541 -5.742 1.474 1.00 0.00 O ATOM 360 CB ALA A 27 -15.135 -3.983 0.045 1.00 0.00 C ATOM 0 H ALA A 27 -13.315 -2.421 1.959 1.00 0.00 H new ATOM 0 HA ALA A 27 -14.831 -4.860 1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -15.195 -4.942 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.140 -3.641 0.293 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -14.653 -3.252 -0.604 1.00 0.00 H new ATOM 366 N SER A 28 -12.203 -3.931 0.190 1.00 0.00 N ATOM 367 CA SER A 28 -10.840 -4.285 -0.167 1.00 0.00 C ATOM 368 C SER A 28 -10.060 -3.020 -0.505 1.00 0.00 C ATOM 369 O SER A 28 -10.647 -2.027 -0.942 1.00 0.00 O ATOM 370 CB SER A 28 -10.830 -5.251 -1.357 1.00 0.00 C ATOM 371 OG SER A 28 -11.695 -6.354 -1.128 1.00 0.00 O ATOM 0 H SER A 28 -12.536 -3.068 -0.240 1.00 0.00 H new ATOM 0 HA SER A 28 -10.368 -4.784 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.139 -4.724 -2.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.815 -5.610 -1.529 1.00 0.00 H new ATOM 0 HG SER A 28 -11.672 -6.954 -1.902 1.00 0.00 H new ATOM 377 N LEU A 29 -8.758 -3.047 -0.280 1.00 0.00 N ATOM 378 CA LEU A 29 -7.911 -1.905 -0.576 1.00 0.00 C ATOM 379 C LEU A 29 -6.852 -2.286 -1.602 1.00 0.00 C ATOM 380 O LEU A 29 -6.153 -3.284 -1.442 1.00 0.00 O ATOM 381 CB LEU A 29 -7.243 -1.395 0.704 1.00 0.00 C ATOM 382 CG LEU A 29 -8.011 -0.310 1.467 1.00 0.00 C ATOM 383 CD1 LEU A 29 -8.679 0.671 0.508 1.00 0.00 C ATOM 384 CD2 LEU A 29 -9.038 -0.939 2.394 1.00 0.00 C ATOM 0 H LEU A 29 -8.263 -3.850 0.108 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.531 -1.110 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.086 -2.242 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.258 -1.005 0.447 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.296 0.249 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.216 1.429 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.919 1.151 -0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.379 0.134 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.574 -0.155 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.744 -1.528 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.533 -1.586 3.111 1.00 0.00 H new ATOM 396 N GLY A 30 -6.752 -1.501 -2.663 1.00 0.00 N ATOM 397 CA GLY A 30 -5.760 -1.761 -3.684 1.00 0.00 C ATOM 398 C GLY A 30 -4.509 -0.942 -3.469 1.00 0.00 C ATOM 399 O GLY A 30 -4.391 0.172 -3.982 1.00 0.00 O ATOM 0 H GLY A 30 -7.342 -0.687 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.506 -2.821 -3.683 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.179 -1.535 -4.665 1.00 0.00 H new ATOM 403 N CYS A 31 -3.579 -1.484 -2.702 1.00 0.00 N ATOM 404 CA CYS A 31 -2.364 -0.765 -2.371 1.00 0.00 C ATOM 405 C CYS A 31 -1.129 -1.575 -2.735 1.00 0.00 C ATOM 406 O CYS A 31 -0.903 -2.663 -2.204 1.00 0.00 O ATOM 407 CB CYS A 31 -2.335 -0.413 -0.879 1.00 0.00 C ATOM 408 SG CYS A 31 -3.894 -0.737 0.010 1.00 0.00 S ATOM 0 H CYS A 31 -3.643 -2.418 -2.298 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.356 0.156 -2.954 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.536 -0.979 -0.401 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.085 0.643 -0.773 1.00 0.00 H new ATOM 413 N VAL A 32 -0.340 -1.046 -3.654 1.00 0.00 N ATOM 414 CA VAL A 32 0.926 -1.666 -4.016 1.00 0.00 C ATOM 415 C VAL A 32 2.024 -1.175 -3.081 1.00 0.00 C ATOM 416 O VAL A 32 1.850 -0.166 -2.395 1.00 0.00 O ATOM 417 CB VAL A 32 1.336 -1.373 -5.477 1.00 0.00 C ATOM 418 CG1 VAL A 32 1.368 -2.662 -6.285 1.00 0.00 C ATOM 419 CG2 VAL A 32 0.405 -0.352 -6.120 1.00 0.00 C ATOM 0 H VAL A 32 -0.552 -0.189 -4.164 1.00 0.00 H new ATOM 0 HA VAL A 32 0.793 -2.744 -3.921 1.00 0.00 H new ATOM 0 HB VAL A 32 2.338 -0.943 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.658 -2.441 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.090 -3.350 -5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.379 -3.120 -6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.721 -0.168 -7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.615 -0.737 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.442 0.580 -5.556 1.00 0.00 H new ATOM 429 N VAL A 33 3.141 -1.889 -3.049 1.00 0.00 N ATOM 430 CA VAL A 33 4.240 -1.542 -2.155 1.00 0.00 C ATOM 431 C VAL A 33 4.780 -0.145 -2.470 1.00 0.00 C ATOM 432 O VAL A 33 4.935 0.226 -3.636 1.00 0.00 O ATOM 433 CB VAL A 33 5.378 -2.592 -2.222 1.00 0.00 C ATOM 434 CG1 VAL A 33 6.018 -2.630 -3.603 1.00 0.00 C ATOM 435 CG2 VAL A 33 6.424 -2.326 -1.144 1.00 0.00 C ATOM 0 H VAL A 33 3.311 -2.710 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 33 3.847 -1.539 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 33 4.938 -3.572 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.812 -3.377 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.264 -2.889 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.437 -1.651 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.213 -3.075 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.852 -1.334 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.955 -2.378 -0.161 1.00 0.00 H new ATOM 445 N GLY A 34 5.020 0.633 -1.419 1.00 0.00 N ATOM 446 CA GLY A 34 5.527 1.977 -1.584 1.00 0.00 C ATOM 447 C GLY A 34 6.882 1.999 -2.252 1.00 0.00 C ATOM 448 O GLY A 34 7.856 1.462 -1.720 1.00 0.00 O ATOM 0 H GLY A 34 4.870 0.351 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.822 2.559 -2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.597 2.459 -0.609 1.00 0.00 H new ATOM 452 N VAL A 35 6.939 2.601 -3.426 1.00 0.00 N ATOM 453 CA VAL A 35 8.181 2.703 -4.172 1.00 0.00 C ATOM 454 C VAL A 35 9.044 3.829 -3.619 1.00 0.00 C ATOM 455 O VAL A 35 8.665 5.000 -3.670 1.00 0.00 O ATOM 456 CB VAL A 35 7.936 2.932 -5.676 1.00 0.00 C ATOM 457 CG1 VAL A 35 8.085 1.629 -6.442 1.00 0.00 C ATOM 458 CG2 VAL A 35 6.564 3.546 -5.926 1.00 0.00 C ATOM 0 H VAL A 35 6.135 3.029 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 35 8.701 1.752 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 35 8.687 3.636 -6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.909 1.808 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.093 1.238 -6.303 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.360 0.904 -6.071 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.422 3.695 -6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.791 2.877 -5.547 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.496 4.506 -5.414 1.00 0.00 H new ATOM 468 N ILE A 36 10.202 3.456 -3.089 1.00 0.00 N ATOM 469 CA ILE A 36 11.105 4.398 -2.436 1.00 0.00 C ATOM 470 C ILE A 36 11.554 5.503 -3.387 1.00 0.00 C ATOM 471 O ILE A 36 11.956 5.242 -4.523 1.00 0.00 O ATOM 472 CB ILE A 36 12.351 3.682 -1.865 1.00 0.00 C ATOM 473 CG1 ILE A 36 12.933 2.705 -2.889 1.00 0.00 C ATOM 474 CG2 ILE A 36 12.002 2.948 -0.578 1.00 0.00 C ATOM 475 CD1 ILE A 36 14.389 2.960 -3.202 1.00 0.00 C ATOM 0 H ILE A 36 10.542 2.494 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 36 10.543 4.847 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 36 13.104 4.438 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.823 1.688 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.354 2.769 -3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.891 2.450 -0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.635 3.662 0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.230 2.206 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE A 36 14.737 2.231 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.503 3.965 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.979 2.867 -2.290 1.00 0.00 H new ATOM 487 N GLY A 37 11.441 6.741 -2.926 1.00 0.00 N ATOM 488 CA GLY A 37 11.916 7.877 -3.689 1.00 0.00 C ATOM 489 C GLY A 37 11.022 8.200 -4.869 1.00 0.00 C ATOM 490 O GLY A 37 11.491 8.680 -5.899 1.00 0.00 O ATOM 0 H GLY A 37 11.024 6.980 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.979 8.748 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.925 7.673 -4.047 1.00 0.00 H new ATOM 494 N SER A 38 9.730 7.944 -4.724 1.00 0.00 N ATOM 495 CA SER A 38 8.794 8.172 -5.815 1.00 0.00 C ATOM 496 C SER A 38 7.586 8.988 -5.355 1.00 0.00 C ATOM 497 O SER A 38 7.277 9.050 -4.164 1.00 0.00 O ATOM 498 CB SER A 38 8.341 6.835 -6.403 1.00 0.00 C ATOM 499 OG SER A 38 9.401 5.892 -6.394 1.00 0.00 O ATOM 0 H SER A 38 9.308 7.581 -3.869 1.00 0.00 H new ATOM 0 HA SER A 38 9.307 8.747 -6.586 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.499 6.447 -5.829 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.989 6.983 -7.424 1.00 0.00 H new ATOM 0 HG SER A 38 9.384 5.372 -7.225 1.00 0.00 H new ATOM 505 N GLN A 39 6.917 9.621 -6.308 1.00 0.00 N ATOM 506 CA GLN A 39 5.718 10.390 -6.020 1.00 0.00 C ATOM 507 C GLN A 39 4.489 9.506 -6.180 1.00 0.00 C ATOM 508 O GLN A 39 3.980 9.324 -7.289 1.00 0.00 O ATOM 509 CB GLN A 39 5.624 11.595 -6.958 1.00 0.00 C ATOM 510 CG GLN A 39 5.214 12.886 -6.267 1.00 0.00 C ATOM 511 CD GLN A 39 6.192 13.316 -5.193 1.00 0.00 C ATOM 512 OE1 GLN A 39 7.408 13.209 -5.359 1.00 0.00 O ATOM 513 NE2 GLN A 39 5.670 13.812 -4.086 1.00 0.00 N ATOM 0 H GLN A 39 7.187 9.616 -7.292 1.00 0.00 H new ATOM 0 HA GLN A 39 5.767 10.751 -4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.590 11.744 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.905 11.373 -7.747 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.127 13.678 -7.010 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.227 12.757 -5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.657 13.884 -3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.279 14.123 -3.330 1.00 0.00 H new ATOM 522 N CYS A 40 4.030 8.932 -5.082 1.00 0.00 N ATOM 523 CA CYS A 40 2.860 8.073 -5.116 1.00 0.00 C ATOM 524 C CYS A 40 1.592 8.913 -5.126 1.00 0.00 C ATOM 525 O CYS A 40 1.290 9.607 -4.156 1.00 0.00 O ATOM 526 CB CYS A 40 2.856 7.115 -3.921 1.00 0.00 C ATOM 527 SG CYS A 40 3.417 5.427 -4.325 1.00 0.00 S ATOM 0 H CYS A 40 4.448 9.045 -4.158 1.00 0.00 H new ATOM 0 HA CYS A 40 2.895 7.479 -6.029 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.496 7.523 -3.139 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.847 7.064 -3.512 1.00 0.00 H new ATOM 532 N GLY A 41 0.856 8.854 -6.229 1.00 0.00 N ATOM 533 CA GLY A 41 -0.360 9.632 -6.356 1.00 0.00 C ATOM 534 C GLY A 41 -1.549 8.910 -5.767 1.00 0.00 C ATOM 535 O GLY A 41 -2.628 8.880 -6.359 1.00 0.00 O ATOM 0 H GLY A 41 1.081 8.279 -7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.232 10.592 -5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.548 9.844 -7.408 1.00 0.00 H new ATOM 539 N ALA A 42 -1.347 8.338 -4.594 1.00 0.00 N ATOM 540 CA ALA A 42 -2.366 7.546 -3.934 1.00 0.00 C ATOM 541 C ALA A 42 -2.139 7.568 -2.433 1.00 0.00 C ATOM 542 O ALA A 42 -1.029 7.831 -1.975 1.00 0.00 O ATOM 543 CB ALA A 42 -2.349 6.118 -4.458 1.00 0.00 C ATOM 0 H ALA A 42 -0.473 8.410 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.345 7.974 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.120 5.536 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.542 6.122 -5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.373 5.672 -4.266 1.00 0.00 H new ATOM 549 N SER A 43 -3.191 7.293 -1.681 1.00 0.00 N ATOM 550 CA SER A 43 -3.132 7.308 -0.230 1.00 0.00 C ATOM 551 C SER A 43 -2.180 6.232 0.297 1.00 0.00 C ATOM 552 O SER A 43 -2.495 5.041 0.260 1.00 0.00 O ATOM 553 CB SER A 43 -4.538 7.083 0.327 1.00 0.00 C ATOM 554 OG SER A 43 -5.456 6.809 -0.722 1.00 0.00 O ATOM 0 H SER A 43 -4.108 7.054 -2.058 1.00 0.00 H new ATOM 0 HA SER A 43 -2.752 8.276 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.526 6.252 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.861 7.966 0.879 1.00 0.00 H new ATOM 0 HG SER A 43 -5.186 5.990 -1.188 1.00 0.00 H new ATOM 560 N VAL A 44 -1.013 6.653 0.772 1.00 0.00 N ATOM 561 CA VAL A 44 -0.036 5.726 1.326 1.00 0.00 C ATOM 562 C VAL A 44 -0.425 5.337 2.747 1.00 0.00 C ATOM 563 O VAL A 44 -0.594 6.198 3.612 1.00 0.00 O ATOM 564 CB VAL A 44 1.387 6.327 1.331 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.419 5.247 1.613 1.00 0.00 C ATOM 566 CG2 VAL A 44 1.687 7.017 0.009 1.00 0.00 C ATOM 0 H VAL A 44 -0.722 7.630 0.784 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.030 4.842 0.689 1.00 0.00 H new ATOM 0 HB VAL A 44 1.439 7.073 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.416 5.688 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.220 4.799 2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.362 4.479 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.694 7.433 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.614 6.294 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.968 7.820 -0.154 1.00 0.00 H new ATOM 576 N LYS A 45 -0.596 4.044 2.970 1.00 0.00 N ATOM 577 CA LYS A 45 -0.952 3.530 4.284 1.00 0.00 C ATOM 578 C LYS A 45 0.096 2.530 4.751 1.00 0.00 C ATOM 579 O LYS A 45 0.929 2.083 3.962 1.00 0.00 O ATOM 580 CB LYS A 45 -2.329 2.856 4.250 1.00 0.00 C ATOM 581 CG LYS A 45 -3.293 3.448 3.231 1.00 0.00 C ATOM 582 CD LYS A 45 -4.609 3.839 3.877 1.00 0.00 C ATOM 583 CE LYS A 45 -5.632 4.278 2.841 1.00 0.00 C ATOM 584 NZ LYS A 45 -6.594 5.270 3.397 1.00 0.00 N ATOM 0 H LYS A 45 -0.493 3.326 2.253 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.992 4.367 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.196 1.796 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.779 2.925 5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.840 4.323 2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.476 2.724 2.437 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.002 2.994 4.443 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.440 4.648 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.117 4.712 1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.178 3.407 2.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.443 5.304 2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.863 4.990 4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.149 6.210 3.421 1.00 0.00 H new ATOM 598 N CYS A 46 0.053 2.178 6.024 1.00 0.00 N ATOM 599 CA CYS A 46 0.972 1.188 6.569 1.00 0.00 C ATOM 600 C CYS A 46 0.237 -0.123 6.803 1.00 0.00 C ATOM 601 O CYS A 46 -0.649 -0.213 7.654 1.00 0.00 O ATOM 602 CB CYS A 46 1.601 1.695 7.870 1.00 0.00 C ATOM 603 SG CYS A 46 2.060 3.459 7.835 1.00 0.00 S ATOM 0 H CYS A 46 -0.607 2.561 6.701 1.00 0.00 H new ATOM 0 HA CYS A 46 1.774 1.018 5.851 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.901 1.529 8.689 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.490 1.103 8.086 1.00 0.00 H new ATOM 608 N CYS A 47 0.588 -1.140 6.039 1.00 0.00 N ATOM 609 CA CYS A 47 -0.128 -2.401 6.104 1.00 0.00 C ATOM 610 C CYS A 47 0.822 -3.566 6.321 1.00 0.00 C ATOM 611 O CYS A 47 1.984 -3.519 5.921 1.00 0.00 O ATOM 612 CB CYS A 47 -0.931 -2.619 4.821 1.00 0.00 C ATOM 613 SG CYS A 47 -1.627 -1.095 4.099 1.00 0.00 S ATOM 0 H CYS A 47 1.358 -1.119 5.371 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.809 -2.354 6.954 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.288 -3.096 4.081 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.746 -3.312 5.030 1.00 0.00 H new ATOM 618 N LYS A 48 0.327 -4.601 6.979 1.00 0.00 N ATOM 619 CA LYS A 48 1.069 -5.839 7.131 1.00 0.00 C ATOM 620 C LYS A 48 0.259 -6.985 6.542 1.00 0.00 C ATOM 621 O LYS A 48 -0.256 -7.840 7.263 1.00 0.00 O ATOM 622 CB LYS A 48 1.394 -6.105 8.604 1.00 0.00 C ATOM 623 CG LYS A 48 2.875 -5.980 8.928 1.00 0.00 C ATOM 624 CD LYS A 48 3.180 -6.439 10.344 1.00 0.00 C ATOM 625 CE LYS A 48 3.671 -7.879 10.368 1.00 0.00 C ATOM 626 NZ LYS A 48 5.062 -7.988 10.878 1.00 0.00 N ATOM 0 H LYS A 48 -0.593 -4.607 7.419 1.00 0.00 H new ATOM 0 HA LYS A 48 2.015 -5.755 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.834 -5.405 9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.055 -7.107 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.454 -6.573 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.188 -4.943 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.936 -5.788 10.784 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.284 -6.348 10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.008 -8.477 10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.621 -8.295 9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.367 -8.982 10.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.695 -7.412 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.100 -7.647 11.860 1.00 0.00 H new ATOM 640 N ASP A 49 0.119 -6.976 5.224 1.00 0.00 N ATOM 641 CA ASP A 49 -0.633 -8.015 4.537 1.00 0.00 C ATOM 642 C ASP A 49 0.299 -9.151 4.144 1.00 0.00 C ATOM 643 O ASP A 49 1.445 -9.198 4.592 1.00 0.00 O ATOM 644 CB ASP A 49 -1.329 -7.456 3.292 1.00 0.00 C ATOM 645 CG ASP A 49 -2.605 -8.211 2.967 1.00 0.00 C ATOM 646 OD1 ASP A 49 -3.678 -7.830 3.480 1.00 0.00 O ATOM 647 OD2 ASP A 49 -2.537 -9.200 2.212 1.00 0.00 O ATOM 0 H ASP A 49 0.515 -6.263 4.611 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.398 -8.391 5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.561 -6.403 3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.649 -7.510 2.442 1.00 0.00 H new ATOM 652 N ASP A 50 -0.178 -10.054 3.306 1.00 0.00 N ATOM 653 CA ASP A 50 0.644 -11.151 2.831 1.00 0.00 C ATOM 654 C ASP A 50 1.354 -10.745 1.551 1.00 0.00 C ATOM 655 O ASP A 50 0.728 -10.626 0.494 1.00 0.00 O ATOM 656 CB ASP A 50 -0.203 -12.400 2.586 1.00 0.00 C ATOM 657 CG ASP A 50 0.651 -13.598 2.232 1.00 0.00 C ATOM 658 OD1 ASP A 50 1.459 -14.028 3.083 1.00 0.00 O ATOM 659 OD2 ASP A 50 0.530 -14.108 1.099 1.00 0.00 O ATOM 0 H ASP A 50 -1.130 -10.049 2.941 1.00 0.00 H new ATOM 0 HA ASP A 50 1.384 -11.385 3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.789 -12.622 3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.910 -12.207 1.780 1.00 0.00 H new ATOM 664 N VAL A 51 2.655 -10.521 1.643 1.00 0.00 N ATOM 665 CA VAL A 51 3.420 -10.046 0.505 1.00 0.00 C ATOM 666 C VAL A 51 4.631 -10.953 0.231 1.00 0.00 C ATOM 667 O VAL A 51 5.741 -10.716 0.710 1.00 0.00 O ATOM 668 CB VAL A 51 3.853 -8.565 0.700 1.00 0.00 C ATOM 669 CG1 VAL A 51 4.566 -8.361 2.033 1.00 0.00 C ATOM 670 CG2 VAL A 51 4.713 -8.085 -0.461 1.00 0.00 C ATOM 0 H VAL A 51 3.201 -10.661 2.493 1.00 0.00 H new ATOM 0 HA VAL A 51 2.774 -10.088 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 51 2.947 -7.960 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.854 -7.315 2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.897 -8.635 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.457 -8.988 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.000 -7.046 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.609 -8.702 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.147 -8.162 -1.389 1.00 0.00 H new ATOM 680 N THR A 52 4.396 -12.021 -0.519 1.00 0.00 N ATOM 681 CA THR A 52 5.483 -12.868 -0.990 1.00 0.00 C ATOM 682 C THR A 52 6.051 -12.303 -2.290 1.00 0.00 C ATOM 683 O THR A 52 7.197 -12.563 -2.660 1.00 0.00 O ATOM 684 CB THR A 52 5.007 -14.319 -1.212 1.00 0.00 C ATOM 685 OG1 THR A 52 4.094 -14.698 -0.169 1.00 0.00 O ATOM 686 CG2 THR A 52 6.184 -15.285 -1.237 1.00 0.00 C ATOM 0 H THR A 52 3.466 -12.321 -0.813 1.00 0.00 H new ATOM 0 HA THR A 52 6.260 -12.881 -0.226 1.00 0.00 H new ATOM 0 HB THR A 52 4.503 -14.367 -2.177 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.794 -15.619 -0.316 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.819 -16.300 -1.395 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.861 -15.013 -2.047 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.716 -15.235 -0.287 1.00 0.00 H new ATOM 694 N ASN A 53 5.232 -11.510 -2.968 1.00 0.00 N ATOM 695 CA ASN A 53 5.628 -10.848 -4.201 1.00 0.00 C ATOM 696 C ASN A 53 4.694 -9.673 -4.458 1.00 0.00 C ATOM 697 O ASN A 53 4.069 -9.165 -3.529 1.00 0.00 O ATOM 698 CB ASN A 53 5.598 -11.827 -5.381 1.00 0.00 C ATOM 699 CG ASN A 53 6.678 -11.527 -6.406 1.00 0.00 C ATOM 700 OD1 ASN A 53 7.589 -10.741 -6.149 1.00 0.00 O ATOM 701 ND2 ASN A 53 6.585 -12.143 -7.575 1.00 0.00 N ATOM 0 H ASN A 53 4.275 -11.308 -2.678 1.00 0.00 H new ATOM 0 HA ASN A 53 6.650 -10.484 -4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.725 -12.844 -5.010 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.621 -11.783 -5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.283 -11.972 -8.299 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.815 -12.788 -7.752 1.00 0.00 H new ATOM 708 N THR A 54 4.570 -9.266 -5.713 1.00 0.00 N ATOM 709 CA THR A 54 3.699 -8.159 -6.081 1.00 0.00 C ATOM 710 C THR A 54 2.245 -8.615 -6.211 1.00 0.00 C ATOM 711 O THR A 54 1.416 -7.920 -6.800 1.00 0.00 O ATOM 712 CB THR A 54 4.152 -7.546 -7.416 1.00 0.00 C ATOM 713 OG1 THR A 54 5.277 -8.281 -7.923 1.00 0.00 O ATOM 714 CG2 THR A 54 4.532 -6.087 -7.242 1.00 0.00 C ATOM 0 H THR A 54 5.065 -9.689 -6.498 1.00 0.00 H new ATOM 0 HA THR A 54 3.764 -7.413 -5.289 1.00 0.00 H new ATOM 0 HB THR A 54 3.324 -7.603 -8.122 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.565 -7.892 -8.775 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.849 -5.677 -8.201 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.671 -5.528 -6.875 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.349 -6.007 -6.525 1.00 0.00 H new ATOM 722 N GLY A 55 1.945 -9.783 -5.644 1.00 0.00 N ATOM 723 CA GLY A 55 0.632 -10.377 -5.793 1.00 0.00 C ATOM 724 C GLY A 55 0.412 -10.858 -7.207 1.00 0.00 C ATOM 725 O GLY A 55 0.999 -11.855 -7.628 1.00 0.00 O ATOM 0 H GLY A 55 2.596 -10.329 -5.080 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.526 -11.212 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.133 -9.647 -5.531 1.00 0.00 H new ATOM 729 N ASN A 56 -0.424 -10.145 -7.943 1.00 0.00 N ATOM 730 CA ASN A 56 -0.636 -10.435 -9.351 1.00 0.00 C ATOM 731 C ASN A 56 -0.001 -9.332 -10.188 1.00 0.00 C ATOM 732 O ASN A 56 1.155 -9.435 -10.587 1.00 0.00 O ATOM 733 CB ASN A 56 -2.129 -10.552 -9.663 1.00 0.00 C ATOM 734 CG ASN A 56 -2.400 -11.298 -10.953 1.00 0.00 C ATOM 735 OD1 ASN A 56 -2.358 -10.722 -12.041 1.00 0.00 O ATOM 736 ND2 ASN A 56 -2.681 -12.586 -10.842 1.00 0.00 N ATOM 0 H ASN A 56 -0.968 -9.359 -7.588 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.170 -11.390 -9.594 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.629 -11.064 -8.840 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.562 -9.554 -9.728 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.873 -13.140 -11.677 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.706 -13.025 -9.922 1.00 0.00 H new ATOM 743 N SER A 57 -0.766 -8.281 -10.448 1.00 0.00 N ATOM 744 CA SER A 57 -0.233 -7.079 -11.073 1.00 0.00 C ATOM 745 C SER A 57 -0.012 -6.012 -10.007 1.00 0.00 C ATOM 746 O SER A 57 0.776 -5.082 -10.180 1.00 0.00 O ATOM 747 CB SER A 57 -1.209 -6.574 -12.133 1.00 0.00 C ATOM 748 OG SER A 57 -2.399 -7.350 -12.129 1.00 0.00 O ATOM 0 H SER A 57 -1.762 -8.237 -10.235 1.00 0.00 H new ATOM 0 HA SER A 57 0.719 -7.306 -11.553 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.450 -5.528 -11.944 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.742 -6.620 -13.117 1.00 0.00 H new ATOM 0 HG SER A 57 -3.013 -7.011 -12.813 1.00 0.00 H new ATOM 754 N PHE A 58 -0.732 -6.171 -8.905 1.00 0.00 N ATOM 755 CA PHE A 58 -0.637 -5.287 -7.759 1.00 0.00 C ATOM 756 C PHE A 58 -1.204 -6.011 -6.541 1.00 0.00 C ATOM 757 O PHE A 58 -1.744 -7.111 -6.679 1.00 0.00 O ATOM 758 CB PHE A 58 -1.375 -3.967 -8.031 1.00 0.00 C ATOM 759 CG PHE A 58 -2.864 -4.016 -7.813 1.00 0.00 C ATOM 760 CD1 PHE A 58 -3.678 -4.800 -8.618 1.00 0.00 C ATOM 761 CD2 PHE A 58 -3.447 -3.266 -6.806 1.00 0.00 C ATOM 762 CE1 PHE A 58 -5.045 -4.833 -8.418 1.00 0.00 C ATOM 763 CE2 PHE A 58 -4.810 -3.297 -6.601 1.00 0.00 C ATOM 764 CZ PHE A 58 -5.611 -4.082 -7.407 1.00 0.00 C ATOM 0 H PHE A 58 -1.405 -6.927 -8.784 1.00 0.00 H new ATOM 0 HA PHE A 58 0.405 -5.032 -7.567 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.954 -3.193 -7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.183 -3.666 -9.061 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.239 -5.390 -9.409 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.826 -2.649 -6.173 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.670 -5.445 -9.052 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.251 -2.708 -5.811 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.679 -4.108 -7.247 1.00 0.00 H new ATOM 774 N LEU A 59 -1.092 -5.413 -5.365 1.00 0.00 N ATOM 775 CA LEU A 59 -1.495 -6.084 -4.135 1.00 0.00 C ATOM 776 C LEU A 59 -2.831 -5.566 -3.616 1.00 0.00 C ATOM 777 O LEU A 59 -3.130 -4.374 -3.707 1.00 0.00 O ATOM 778 CB LEU A 59 -0.420 -5.900 -3.062 1.00 0.00 C ATOM 779 CG LEU A 59 0.872 -6.687 -3.297 1.00 0.00 C ATOM 780 CD1 LEU A 59 2.085 -5.778 -3.166 1.00 0.00 C ATOM 781 CD2 LEU A 59 0.970 -7.853 -2.324 1.00 0.00 C ATOM 0 H LEU A 59 -0.728 -4.469 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.613 -7.143 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.174 -4.840 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.836 -6.194 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 59 0.852 -7.085 -4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.993 -6.356 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.021 -4.977 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.111 -5.348 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.894 -8.401 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.967 -7.475 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.119 -8.519 -2.467 1.00 0.00 H new ATOM 793 N ILE A 60 -3.628 -6.475 -3.079 1.00 0.00 N ATOM 794 CA ILE A 60 -4.895 -6.120 -2.457 1.00 0.00 C ATOM 795 C ILE A 60 -4.822 -6.412 -0.963 1.00 0.00 C ATOM 796 O ILE A 60 -4.579 -7.546 -0.555 1.00 0.00 O ATOM 797 CB ILE A 60 -6.083 -6.884 -3.094 1.00 0.00 C ATOM 798 CG1 ILE A 60 -6.384 -6.329 -4.485 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.324 -6.803 -2.215 1.00 0.00 C ATOM 800 CD1 ILE A 60 -6.500 -7.396 -5.549 1.00 0.00 C ATOM 0 H ILE A 60 -3.418 -7.473 -3.061 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.069 -5.056 -2.619 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.800 -7.933 -3.184 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.314 -5.762 -4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.596 -5.630 -4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.141 -7.348 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.110 -7.243 -1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.611 -5.759 -2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.714 -6.929 -6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.562 -7.948 -5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.307 -8.081 -5.290 1.00 0.00 H new ATOM 812 N ILE A 61 -5.019 -5.381 -0.158 1.00 0.00 N ATOM 813 CA ILE A 61 -4.864 -5.489 1.283 1.00 0.00 C ATOM 814 C ILE A 61 -6.199 -5.261 1.991 1.00 0.00 C ATOM 815 O ILE A 61 -7.092 -4.594 1.462 1.00 0.00 O ATOM 816 CB ILE A 61 -3.806 -4.475 1.795 1.00 0.00 C ATOM 817 CG1 ILE A 61 -2.486 -4.675 1.048 1.00 0.00 C ATOM 818 CG2 ILE A 61 -3.587 -4.609 3.297 1.00 0.00 C ATOM 819 CD1 ILE A 61 -1.630 -3.432 1.004 1.00 0.00 C ATOM 0 H ILE A 61 -5.289 -4.452 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.520 -6.498 1.511 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.181 -3.470 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.924 -5.478 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.699 -4.998 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.840 -3.884 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.525 -4.422 3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.239 -5.616 3.525 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.709 -3.643 0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.174 -2.633 0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.388 -3.121 2.020 1.00 0.00 H new ATOM 831 N ASN A 62 -6.339 -5.847 3.170 1.00 0.00 N ATOM 832 CA ASN A 62 -7.529 -5.659 3.984 1.00 0.00 C ATOM 833 C ASN A 62 -7.290 -4.566 5.023 1.00 0.00 C ATOM 834 O ASN A 62 -6.170 -4.387 5.508 1.00 0.00 O ATOM 835 CB ASN A 62 -7.906 -6.969 4.679 1.00 0.00 C ATOM 836 CG ASN A 62 -9.368 -7.024 5.082 1.00 0.00 C ATOM 837 OD1 ASN A 62 -10.110 -6.051 4.930 1.00 0.00 O ATOM 838 ND2 ASN A 62 -9.788 -8.166 5.602 1.00 0.00 N ATOM 0 H ASN A 62 -5.638 -6.460 3.586 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.351 -5.355 3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.686 -7.804 4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.285 -7.096 5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -10.760 -8.266 5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.140 -8.946 5.710 1.00 0.00 H new ATOM 845 N ALA A 63 -8.345 -3.846 5.378 1.00 0.00 N ATOM 846 CA ALA A 63 -8.245 -2.741 6.327 1.00 0.00 C ATOM 847 C ALA A 63 -8.204 -3.243 7.770 1.00 0.00 C ATOM 848 O ALA A 63 -8.259 -2.454 8.716 1.00 0.00 O ATOM 849 CB ALA A 63 -9.408 -1.782 6.134 1.00 0.00 C ATOM 0 H ALA A 63 -9.287 -4.007 5.021 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.310 -2.215 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.325 -0.961 6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.388 -1.385 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.347 -2.311 6.298 1.00 0.00 H new ATOM 855 N ALA A 64 -8.117 -4.555 7.934 1.00 0.00 N ATOM 856 CA ALA A 64 -8.039 -5.160 9.254 1.00 0.00 C ATOM 857 C ALA A 64 -6.589 -5.308 9.702 1.00 0.00 C ATOM 858 O ALA A 64 -6.266 -5.140 10.877 1.00 0.00 O ATOM 859 CB ALA A 64 -8.740 -6.510 9.256 1.00 0.00 C ATOM 0 H ALA A 64 -8.099 -5.224 7.164 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.544 -4.503 9.962 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.674 -6.953 10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.788 -6.376 8.987 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.261 -7.170 8.533 1.00 0.00 H new ATOM 865 N ASN A 65 -5.715 -5.623 8.756 1.00 0.00 N ATOM 866 CA ASN A 65 -4.297 -5.797 9.051 1.00 0.00 C ATOM 867 C ASN A 65 -3.495 -4.588 8.583 1.00 0.00 C ATOM 868 O ASN A 65 -2.312 -4.446 8.897 1.00 0.00 O ATOM 869 CB ASN A 65 -3.756 -7.080 8.410 1.00 0.00 C ATOM 870 CG ASN A 65 -4.100 -7.214 6.939 1.00 0.00 C ATOM 871 OD1 ASN A 65 -5.215 -6.921 6.511 1.00 0.00 O ATOM 872 ND2 ASN A 65 -3.149 -7.675 6.159 1.00 0.00 N ATOM 0 H ASN A 65 -5.962 -5.764 7.776 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.189 -5.885 10.132 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.672 -7.105 8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.154 -7.941 8.948 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.323 -7.801 5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.236 -7.907 6.550 1.00 0.00 H new ATOM 879 N CYS A 66 -4.140 -3.738 7.803 1.00 0.00 N ATOM 880 CA CYS A 66 -3.580 -2.441 7.446 1.00 0.00 C ATOM 881 C CYS A 66 -4.236 -1.351 8.285 1.00 0.00 C ATOM 882 O CYS A 66 -5.410 -1.465 8.643 1.00 0.00 O ATOM 883 CB CYS A 66 -3.798 -2.159 5.956 1.00 0.00 C ATOM 884 SG CYS A 66 -3.112 -0.570 5.382 1.00 0.00 S ATOM 0 H CYS A 66 -5.059 -3.923 7.401 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.508 -2.451 7.644 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.349 -2.965 5.376 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.868 -2.175 5.748 1.00 0.00 H new ATOM 889 N VAL A 67 -3.487 -0.307 8.612 1.00 0.00 N ATOM 890 CA VAL A 67 -4.051 0.809 9.355 1.00 0.00 C ATOM 891 C VAL A 67 -4.376 1.961 8.411 1.00 0.00 C ATOM 892 O VAL A 67 -3.492 2.706 7.977 1.00 0.00 O ATOM 893 CB VAL A 67 -3.120 1.303 10.490 1.00 0.00 C ATOM 894 CG1 VAL A 67 -3.283 0.433 11.725 1.00 0.00 C ATOM 895 CG2 VAL A 67 -1.665 1.326 10.050 1.00 0.00 C ATOM 0 H VAL A 67 -2.499 -0.210 8.378 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.966 0.446 9.824 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.410 2.325 10.734 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.622 0.793 12.513 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.316 0.479 12.069 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.028 -0.598 11.480 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.042 1.678 10.872 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.355 0.321 9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.553 1.996 9.198 1.00 0.00 H new ATOM 905 N ALA A 68 -5.652 2.090 8.081 1.00 0.00 N ATOM 906 CA ALA A 68 -6.106 3.125 7.171 1.00 0.00 C ATOM 907 C ALA A 68 -6.577 4.346 7.949 1.00 0.00 C ATOM 908 O ALA A 68 -7.079 5.302 7.317 1.00 0.00 O ATOM 909 CB ALA A 68 -7.220 2.589 6.283 1.00 0.00 C ATOM 910 OXT ALA A 68 -6.434 4.349 9.191 1.00 0.00 O ATOM 0 H ALA A 68 -6.394 1.485 8.434 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.273 3.426 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.553 3.374 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.849 1.742 5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.056 2.266 6.903 1.00 0.00 H new