USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 0 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 82 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: A 83 ASN : amide:sc= -0.275 K(o=-0.28,f=-3.7!) USER MOD Set 2.1: A 30 HIS : no HE2:sc= -0.137 K(o=-0.14,f=-1.5) USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 26 ASN : amide:sc= 1.37 K(o=2.3,f=1.7) USER MOD Set 3.2: A 55 TYR OH : rot -78:sc= 0.951 USER MOD Single : A 1 VAL N :NH3+ -152:sc= -0.286 (180deg=-1.14) USER MOD Single : A 10 ASN : amide:sc= 0.261 X(o=0.26,f=-0.012) USER MOD Single : A 19 ASN : amide:sc= -0.186 K(o=-0.19,f=-4.6!) USER MOD Single : A 20 SER OG : rot 174:sc= 1.72 USER MOD Single : A 22 GLN : amide:sc= 0.481 K(o=0.48,f=-4.3!) USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0273) USER MOD Single : A 25 SER OG : rot -110:sc= 0.0124 USER MOD Single : A 29 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.46) USER MOD Single : A 32 THR OG1 : rot -41:sc= 0.758 USER MOD Single : A 37 SER OG : rot 121:sc= -2.21 USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.111) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 32:sc= 0.428 USER MOD Single : A 53 THR OG1 : rot -5:sc= 1.23 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 177:sc= 0.825 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -173:sc= 1.27 USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0038) USER MOD Single : A 74 SER OG : rot -64:sc= 1.2 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -92:sc= 1.15 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.038 -19.061 -0.785 1.00 0.00 N ATOM 2 CA VAL A 1 -5.498 -18.433 0.492 1.00 0.00 C ATOM 3 C VAL A 1 -6.112 -19.407 1.584 1.00 0.00 C ATOM 4 O VAL A 1 -5.923 -19.047 2.752 1.00 0.00 O ATOM 5 CB VAL A 1 -6.380 -17.174 0.159 1.00 0.00 C ATOM 6 CG1 VAL A 1 -7.797 -17.441 -0.395 1.00 0.00 C ATOM 7 CG2 VAL A 1 -6.514 -16.213 1.361 1.00 0.00 C ATOM 0 H1 VAL A 1 -4.271 -18.491 -1.196 1.00 0.00 H new ATOM 0 H2 VAL A 1 -4.690 -20.022 -0.594 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.832 -19.107 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 1 -4.602 -18.107 1.020 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.810 -16.722 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -8.299 -16.492 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -7.724 -18.003 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -8.369 -18.017 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -7.132 -15.361 1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.979 -16.737 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.526 -15.862 1.658 1.00 0.00 H new ATOM 8 N PRO A 2 -6.796 -20.584 1.365 1.00 0.00 N ATOM 9 CA PRO A 2 -7.331 -21.439 2.475 1.00 0.00 C ATOM 10 C PRO A 2 -6.269 -22.077 3.444 1.00 0.00 C ATOM 11 O PRO A 2 -5.768 -23.187 3.243 1.00 0.00 O ATOM 12 CB PRO A 2 -8.167 -22.488 1.706 1.00 0.00 C ATOM 13 CG PRO A 2 -8.527 -21.826 0.379 1.00 0.00 C ATOM 14 CD PRO A 2 -7.278 -21.018 0.040 1.00 0.00 C ATOM 0 HA PRO A 2 -7.898 -20.846 3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.598 -23.404 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.062 -22.762 2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.750 -22.564 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.406 -21.188 0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.536 -21.622 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.508 -20.169 -0.604 1.00 0.00 H new ATOM 15 N ASP A 3 -5.938 -21.340 4.511 1.00 0.00 N ATOM 16 CA ASP A 3 -4.877 -21.718 5.486 1.00 0.00 C ATOM 17 C ASP A 3 -5.285 -21.204 6.923 1.00 0.00 C ATOM 18 O ASP A 3 -5.600 -20.012 7.040 1.00 0.00 O ATOM 19 CB ASP A 3 -3.550 -21.107 4.959 1.00 0.00 C ATOM 20 CG ASP A 3 -2.291 -21.518 5.711 1.00 0.00 C ATOM 21 OD1 ASP A 3 -2.032 -22.680 6.009 1.00 0.00 O ATOM 22 OD2 ASP A 3 -1.484 -20.456 5.993 1.00 0.00 O ATOM 0 H ASP A 3 -6.395 -20.456 4.734 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.748 -22.796 5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.433 -21.386 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.633 -20.021 4.992 1.00 0.00 H new ATOM 23 N PRO A 4 -5.282 -22.004 8.035 1.00 0.00 N ATOM 24 CA PRO A 4 -5.779 -21.539 9.369 1.00 0.00 C ATOM 25 C PRO A 4 -4.828 -20.570 10.163 1.00 0.00 C ATOM 26 O PRO A 4 -4.167 -20.942 11.135 1.00 0.00 O ATOM 27 CB PRO A 4 -6.051 -22.894 10.059 1.00 0.00 C ATOM 28 CG PRO A 4 -5.010 -23.852 9.477 1.00 0.00 C ATOM 29 CD PRO A 4 -4.904 -23.433 8.012 1.00 0.00 C ATOM 0 HA PRO A 4 -6.649 -20.885 9.300 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.951 -22.813 11.141 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -7.064 -23.243 9.858 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.052 -23.760 9.989 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.325 -24.891 9.574 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.895 -23.575 7.626 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.573 -24.015 7.378 1.00 0.00 H new ATOM 30 N ARG A 5 -4.821 -19.296 9.753 1.00 0.00 N ATOM 31 CA ARG A 5 -3.941 -18.240 10.352 1.00 0.00 C ATOM 32 C ARG A 5 -4.610 -17.259 11.387 1.00 0.00 C ATOM 33 O ARG A 5 -3.915 -16.391 11.922 1.00 0.00 O ATOM 34 CB ARG A 5 -3.335 -17.461 9.145 1.00 0.00 C ATOM 35 CG ARG A 5 -2.247 -18.238 8.356 1.00 0.00 C ATOM 36 CD ARG A 5 -1.715 -17.514 7.107 1.00 0.00 C ATOM 37 NE ARG A 5 -2.692 -17.602 5.987 1.00 0.00 N ATOM 38 CZ ARG A 5 -2.424 -17.319 4.718 1.00 0.00 C ATOM 39 NH1 ARG A 5 -1.236 -17.011 4.268 1.00 0.00 N ATOM 40 NH2 ARG A 5 -3.400 -17.357 3.866 1.00 0.00 N ATOM 0 H ARG A 5 -5.417 -18.951 9.000 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.196 -18.740 10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.140 -17.194 8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -2.904 -16.529 9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.410 -18.443 9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.656 -19.202 8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.520 -16.468 7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.766 -17.955 6.803 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.640 -17.903 6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.442 -16.977 4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.103 -16.805 3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.340 -17.599 4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.228 -17.145 2.883 1.00 0.00 H new ATOM 41 N GLY A 6 -5.920 -17.353 11.688 1.00 0.00 N ATOM 42 CA GLY A 6 -6.602 -16.437 12.651 1.00 0.00 C ATOM 43 C GLY A 6 -7.196 -15.153 12.042 1.00 0.00 C ATOM 44 O GLY A 6 -8.413 -14.989 11.953 1.00 0.00 O ATOM 0 H GLY A 6 -6.538 -18.055 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.403 -16.988 13.144 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -5.887 -16.154 13.424 1.00 0.00 H new ATOM 45 N ILE A 7 -6.307 -14.253 11.623 1.00 0.00 N ATOM 46 CA ILE A 7 -6.690 -12.975 10.940 1.00 0.00 C ATOM 47 C ILE A 7 -6.701 -13.244 9.389 1.00 0.00 C ATOM 48 O ILE A 7 -5.742 -12.956 8.666 1.00 0.00 O ATOM 49 CB ILE A 7 -5.749 -11.795 11.400 1.00 0.00 C ATOM 50 CG1 ILE A 7 -5.769 -11.543 12.942 1.00 0.00 C ATOM 51 CG2 ILE A 7 -6.136 -10.462 10.697 1.00 0.00 C ATOM 52 CD1 ILE A 7 -4.603 -10.692 13.482 1.00 0.00 C ATOM 0 H ILE A 7 -5.300 -14.370 11.737 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.691 -12.648 11.222 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.745 -12.111 11.115 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.707 -11.052 13.202 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.761 -12.506 13.452 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.471 -9.667 11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.044 -10.580 9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.165 -10.204 10.947 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.707 -10.574 14.561 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.658 -11.188 13.261 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.618 -9.711 13.007 1.00 0.00 H new ATOM 53 N ILE A 8 -7.810 -13.814 8.894 1.00 0.00 N ATOM 54 CA ILE A 8 -7.992 -14.147 7.445 1.00 0.00 C ATOM 55 C ILE A 8 -8.947 -13.056 6.841 1.00 0.00 C ATOM 56 O ILE A 8 -10.168 -13.110 7.014 1.00 0.00 O ATOM 57 CB ILE A 8 -8.510 -15.627 7.282 1.00 0.00 C ATOM 58 CG1 ILE A 8 -7.535 -16.697 7.872 1.00 0.00 C ATOM 59 CG2 ILE A 8 -8.757 -15.976 5.787 1.00 0.00 C ATOM 60 CD1 ILE A 8 -8.170 -18.078 8.122 1.00 0.00 C ATOM 0 H ILE A 8 -8.612 -14.062 9.473 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.053 -14.122 6.893 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.442 -15.662 7.846 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.693 -16.817 7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.132 -16.322 8.813 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.114 -17.003 5.707 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.505 -15.299 5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.826 -15.871 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.420 -18.755 8.531 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.993 -17.977 8.830 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.547 -18.480 7.182 1.00 0.00 H new ATOM 61 N ILE A 9 -8.376 -12.069 6.132 1.00 0.00 N ATOM 62 CA ILE A 9 -9.140 -10.903 5.584 1.00 0.00 C ATOM 63 C ILE A 9 -9.529 -11.075 4.075 1.00 0.00 C ATOM 64 O ILE A 9 -10.711 -11.208 3.752 1.00 0.00 O ATOM 65 CB ILE A 9 -8.378 -9.551 5.875 1.00 0.00 C ATOM 66 CG1 ILE A 9 -6.847 -9.458 5.536 1.00 0.00 C ATOM 67 CG2 ILE A 9 -8.637 -9.109 7.330 1.00 0.00 C ATOM 68 CD1 ILE A 9 -5.786 -9.906 6.563 1.00 0.00 C ATOM 0 H ILE A 9 -7.380 -12.043 5.916 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.093 -10.862 6.112 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.813 -8.866 5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.683 -10.041 4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.635 -8.418 5.289 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.109 -8.176 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.706 -8.960 7.480 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.279 -9.879 8.013 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.790 -9.764 6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.885 -9.311 7.471 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.933 -10.959 6.802 1.00 0.00 H new ATOM 69 N ASN A 10 -8.543 -11.039 3.167 1.00 0.00 N ATOM 70 CA ASN A 10 -8.699 -11.226 1.687 1.00 0.00 C ATOM 71 C ASN A 10 -9.753 -10.306 0.957 1.00 0.00 C ATOM 72 O ASN A 10 -10.828 -10.744 0.538 1.00 0.00 O ATOM 73 CB ASN A 10 -8.773 -12.741 1.312 1.00 0.00 C ATOM 74 CG ASN A 10 -9.776 -13.687 1.962 1.00 0.00 C ATOM 75 OD1 ASN A 10 -9.424 -14.646 2.636 1.00 0.00 O ATOM 76 ND2 ASN A 10 -11.045 -13.467 1.791 1.00 0.00 N ATOM 0 H ASN A 10 -7.573 -10.874 3.436 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.778 -10.831 1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.946 -12.790 0.237 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.783 -13.159 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.732 -14.089 2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -11.354 -12.672 1.232 1.00 0.00 H new ATOM 77 N LEU A 11 -9.390 -9.028 0.738 1.00 0.00 N ATOM 78 CA LEU A 11 -10.248 -8.013 0.088 1.00 0.00 C ATOM 79 C LEU A 11 -9.429 -7.310 -1.058 1.00 0.00 C ATOM 80 O LEU A 11 -8.327 -6.796 -0.849 1.00 0.00 O ATOM 81 CB LEU A 11 -10.782 -7.134 1.257 1.00 0.00 C ATOM 82 CG LEU A 11 -11.288 -5.728 0.897 1.00 0.00 C ATOM 83 CD1 LEU A 11 -12.610 -5.804 0.120 1.00 0.00 C ATOM 84 CD2 LEU A 11 -11.463 -4.859 2.151 1.00 0.00 C ATOM 0 H LEU A 11 -8.477 -8.663 1.011 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.122 -8.388 -0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.596 -7.673 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.985 -7.029 1.994 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.534 -5.263 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.948 -4.797 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.459 -6.368 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.363 -6.301 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.822 -3.871 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.186 -5.326 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.506 -4.762 2.663 1.00 0.00 H new ATOM 85 N ASP A 12 -9.981 -7.297 -2.285 1.00 0.00 N ATOM 86 CA ASP A 12 -9.270 -6.775 -3.491 1.00 0.00 C ATOM 87 C ASP A 12 -9.284 -5.209 -3.643 1.00 0.00 C ATOM 88 O ASP A 12 -10.023 -4.483 -2.972 1.00 0.00 O ATOM 89 CB ASP A 12 -9.922 -7.491 -4.710 1.00 0.00 C ATOM 90 CG ASP A 12 -9.534 -8.953 -4.943 1.00 0.00 C ATOM 91 OD1 ASP A 12 -9.917 -9.771 -3.922 1.00 0.00 O ATOM 92 OD2 ASP A 12 -8.937 -9.334 -5.943 1.00 0.00 O ATOM 0 H ASP A 12 -10.921 -7.641 -2.479 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.206 -6.994 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.005 -7.442 -4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.672 -6.926 -5.608 1.00 0.00 H new ATOM 93 N GLU A 13 -8.436 -4.709 -4.561 1.00 0.00 N ATOM 94 CA GLU A 13 -8.235 -3.250 -4.811 1.00 0.00 C ATOM 95 C GLU A 13 -9.499 -2.484 -5.347 1.00 0.00 C ATOM 96 O GLU A 13 -10.231 -2.981 -6.207 1.00 0.00 O ATOM 97 CB GLU A 13 -6.959 -3.166 -5.713 1.00 0.00 C ATOM 98 CG GLU A 13 -6.612 -1.842 -6.452 1.00 0.00 C ATOM 99 CD GLU A 13 -7.335 -1.624 -7.781 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.137 -2.301 -8.784 1.00 0.00 O ATOM 101 OE2 GLU A 13 -8.216 -0.590 -7.735 1.00 0.00 O ATOM 0 H GLU A 13 -7.862 -5.302 -5.160 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.082 -2.708 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.103 -3.422 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.045 -3.946 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.842 -1.006 -5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.538 -1.818 -6.634 1.00 0.00 H new ATOM 102 N GLY A 14 -9.742 -1.264 -4.823 1.00 0.00 N ATOM 103 CA GLY A 14 -10.956 -0.462 -5.170 1.00 0.00 C ATOM 104 C GLY A 14 -12.072 -0.313 -4.102 1.00 0.00 C ATOM 105 O GLY A 14 -12.975 0.503 -4.286 1.00 0.00 O ATOM 0 H GLY A 14 -9.120 -0.805 -4.158 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.625 0.539 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.404 -0.906 -6.059 1.00 0.00 H new ATOM 106 N GLU A 15 -12.028 -1.080 -3.007 1.00 0.00 N ATOM 107 CA GLU A 15 -13.033 -1.032 -1.912 1.00 0.00 C ATOM 108 C GLU A 15 -12.505 -0.196 -0.700 1.00 0.00 C ATOM 109 O GLU A 15 -11.347 -0.320 -0.291 1.00 0.00 O ATOM 110 CB GLU A 15 -13.351 -2.500 -1.512 1.00 0.00 C ATOM 111 CG GLU A 15 -14.106 -3.363 -2.563 1.00 0.00 C ATOM 112 CD GLU A 15 -15.493 -2.863 -2.975 1.00 0.00 C ATOM 113 OE1 GLU A 15 -16.312 -2.381 -2.199 1.00 0.00 O ATOM 114 OE2 GLU A 15 -15.722 -3.014 -4.306 1.00 0.00 O ATOM 0 H GLU A 15 -11.289 -1.764 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.944 -0.534 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.412 -2.999 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.943 -2.483 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.487 -3.433 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.209 -4.373 -2.167 1.00 0.00 H new ATOM 115 N LEU A 16 -13.361 0.650 -0.112 1.00 0.00 N ATOM 116 CA LEU A 16 -12.958 1.595 0.975 1.00 0.00 C ATOM 117 C LEU A 16 -12.548 0.929 2.340 1.00 0.00 C ATOM 118 O LEU A 16 -13.227 0.035 2.854 1.00 0.00 O ATOM 119 CB LEU A 16 -14.123 2.609 1.168 1.00 0.00 C ATOM 120 CG LEU A 16 -14.336 3.649 0.034 1.00 0.00 C ATOM 121 CD1 LEU A 16 -15.682 4.367 0.215 1.00 0.00 C ATOM 122 CD2 LEU A 16 -13.216 4.701 0.004 1.00 0.00 C ATOM 0 H LEU A 16 -14.348 0.710 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.039 2.085 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.048 2.046 1.291 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.953 3.150 2.099 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.324 3.101 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.818 5.093 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.491 3.637 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.694 4.881 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.403 5.409 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.191 5.233 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.258 4.208 -0.161 1.00 0.00 H new ATOM 123 N CYS A 17 -11.427 1.396 2.918 1.00 0.00 N ATOM 124 CA CYS A 17 -10.884 0.892 4.209 1.00 0.00 C ATOM 125 C CYS A 17 -10.712 2.016 5.296 1.00 0.00 C ATOM 126 O CYS A 17 -10.931 3.210 5.070 1.00 0.00 O ATOM 127 CB CYS A 17 -9.502 0.254 3.868 1.00 0.00 C ATOM 128 SG CYS A 17 -8.210 1.529 3.915 1.00 0.00 S ATOM 0 H CYS A 17 -10.863 2.139 2.506 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.582 0.179 4.646 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.271 -0.538 4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.537 -0.206 2.880 1.00 0.00 H new ATOM 129 N LEU A 18 -10.268 1.594 6.487 1.00 0.00 N ATOM 130 CA LEU A 18 -9.863 2.508 7.592 1.00 0.00 C ATOM 131 C LEU A 18 -8.298 2.382 7.705 1.00 0.00 C ATOM 132 O LEU A 18 -7.570 3.307 7.346 1.00 0.00 O ATOM 133 CB LEU A 18 -10.656 2.163 8.892 1.00 0.00 C ATOM 134 CG LEU A 18 -12.189 2.397 8.876 1.00 0.00 C ATOM 135 CD1 LEU A 18 -12.828 1.785 10.133 1.00 0.00 C ATOM 136 CD2 LEU A 18 -12.550 3.889 8.798 1.00 0.00 C ATOM 0 H LEU A 18 -10.175 0.606 6.724 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.108 3.554 7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.478 1.114 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.234 2.748 9.709 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.578 1.911 7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.905 1.954 10.113 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.630 0.713 10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.404 2.253 11.021 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.634 4.001 8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.138 4.409 9.663 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.134 4.317 7.886 1.00 0.00 H new ATOM 137 N ASN A 19 -7.789 1.269 8.261 1.00 0.00 N ATOM 138 CA ASN A 19 -6.333 0.930 8.303 1.00 0.00 C ATOM 139 C ASN A 19 -5.859 0.067 7.066 1.00 0.00 C ATOM 140 O ASN A 19 -6.621 -0.184 6.127 1.00 0.00 O ATOM 141 CB ASN A 19 -6.091 0.289 9.708 1.00 0.00 C ATOM 142 CG ASN A 19 -6.829 -1.024 10.009 1.00 0.00 C ATOM 143 OD1 ASN A 19 -6.511 -2.074 9.473 1.00 0.00 O ATOM 144 ND2 ASN A 19 -7.850 -1.001 10.826 1.00 0.00 N ATOM 0 H ASN A 19 -8.376 0.562 8.703 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.704 1.814 8.196 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.022 0.110 9.820 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.373 1.019 10.467 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.374 -1.856 11.011 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.122 -0.128 11.278 1.00 0.00 H new ATOM 145 N SER A 20 -4.597 -0.416 7.066 1.00 0.00 N ATOM 146 CA SER A 20 -4.100 -1.349 6.002 1.00 0.00 C ATOM 147 C SER A 20 -4.186 -2.882 6.307 1.00 0.00 C ATOM 148 O SER A 20 -3.932 -3.672 5.392 1.00 0.00 O ATOM 149 CB SER A 20 -2.664 -0.952 5.619 1.00 0.00 C ATOM 150 OG SER A 20 -2.245 -1.668 4.460 1.00 0.00 O ATOM 0 H SER A 20 -3.903 -0.185 7.777 1.00 0.00 H new ATOM 0 HA SER A 20 -4.794 -1.223 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.614 0.120 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.988 -1.161 6.448 1.00 0.00 H new ATOM 0 HG SER A 20 -1.367 -1.341 4.173 1.00 0.00 H new ATOM 151 N ALA A 21 -4.591 -3.328 7.506 1.00 0.00 N ATOM 152 CA ALA A 21 -4.800 -4.779 7.794 1.00 0.00 C ATOM 153 C ALA A 21 -6.104 -5.446 7.231 1.00 0.00 C ATOM 154 O ALA A 21 -6.314 -6.639 7.431 1.00 0.00 O ATOM 155 CB ALA A 21 -4.791 -4.886 9.327 1.00 0.00 C ATOM 0 H ALA A 21 -4.783 -2.716 8.299 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.011 -5.328 7.280 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.939 -5.925 9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.833 -4.534 9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.594 -4.275 9.739 1.00 0.00 H new ATOM 156 N GLN A 22 -6.934 -4.698 6.497 1.00 0.00 N ATOM 157 CA GLN A 22 -8.252 -5.161 5.989 1.00 0.00 C ATOM 158 C GLN A 22 -8.264 -5.727 4.525 1.00 0.00 C ATOM 159 O GLN A 22 -9.216 -6.433 4.197 1.00 0.00 O ATOM 160 CB GLN A 22 -9.189 -3.918 6.087 1.00 0.00 C ATOM 161 CG GLN A 22 -9.568 -3.448 7.521 1.00 0.00 C ATOM 162 CD GLN A 22 -10.303 -2.110 7.576 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.717 -1.054 7.783 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.599 -2.094 7.401 1.00 0.00 N ATOM 0 H GLN A 22 -6.716 -3.738 6.229 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.569 -6.013 6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.709 -3.087 5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -10.109 -4.140 5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.193 -4.211 7.986 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.659 -3.373 8.117 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.101 -2.965 7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.108 -1.211 7.438 1.00 0.00 H new ATOM 165 N CYS A 23 -7.286 -5.417 3.646 1.00 0.00 N ATOM 166 CA CYS A 23 -7.297 -5.850 2.222 1.00 0.00 C ATOM 167 C CYS A 23 -6.791 -7.328 1.993 1.00 0.00 C ATOM 168 O CYS A 23 -7.277 -8.247 2.652 1.00 0.00 O ATOM 169 CB CYS A 23 -6.535 -4.744 1.469 1.00 0.00 C ATOM 170 SG CYS A 23 -7.211 -3.093 1.787 1.00 0.00 S ATOM 0 H CYS A 23 -6.468 -4.862 3.897 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.308 -5.940 1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.486 -4.766 1.763 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.570 -4.947 0.399 1.00 0.00 H new ATOM 171 N LYS A 24 -5.877 -7.607 1.039 1.00 0.00 N ATOM 172 CA LYS A 24 -5.397 -8.977 0.721 1.00 0.00 C ATOM 173 C LYS A 24 -4.458 -9.520 1.835 1.00 0.00 C ATOM 174 O LYS A 24 -4.862 -10.299 2.699 1.00 0.00 O ATOM 175 CB LYS A 24 -4.806 -8.974 -0.730 1.00 0.00 C ATOM 176 CG LYS A 24 -5.765 -8.781 -1.929 1.00 0.00 C ATOM 177 CD LYS A 24 -6.903 -9.812 -2.069 1.00 0.00 C ATOM 178 CE LYS A 24 -6.456 -11.254 -2.349 1.00 0.00 C ATOM 179 NZ LYS A 24 -7.654 -12.106 -2.485 1.00 0.00 N ATOM 0 H LYS A 24 -5.446 -6.885 0.461 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.218 -9.694 0.716 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.056 -8.185 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.284 -9.920 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.210 -7.789 -1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.174 -8.797 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.492 -9.804 -1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.563 -9.492 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.859 -11.294 -3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.825 -11.617 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.364 -13.101 -2.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.257 -11.994 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.186 -11.824 -3.333 1.00 0.00 H new ATOM 180 N SER A 25 -3.195 -9.129 1.750 1.00 0.00 N ATOM 181 CA SER A 25 -2.177 -9.408 2.799 1.00 0.00 C ATOM 182 C SER A 25 -2.163 -8.268 3.877 1.00 0.00 C ATOM 183 O SER A 25 -2.398 -8.491 5.064 1.00 0.00 O ATOM 184 CB SER A 25 -0.819 -9.664 2.087 1.00 0.00 C ATOM 185 OG SER A 25 -0.425 -8.576 1.239 1.00 0.00 O ATOM 0 H SER A 25 -2.828 -8.606 0.955 1.00 0.00 H new ATOM 0 HA SER A 25 -2.415 -10.306 3.369 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.046 -9.833 2.837 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.891 -10.575 1.493 1.00 0.00 H new ATOM 0 HG SER A 25 -0.489 -8.853 0.301 1.00 0.00 H new ATOM 186 N ASN A 26 -1.816 -7.060 3.414 1.00 0.00 N ATOM 187 CA ASN A 26 -1.760 -5.805 4.214 1.00 0.00 C ATOM 188 C ASN A 26 -1.559 -4.657 3.163 1.00 0.00 C ATOM 189 O ASN A 26 -0.415 -4.291 2.871 1.00 0.00 O ATOM 190 CB ASN A 26 -0.640 -5.846 5.312 1.00 0.00 C ATOM 191 CG ASN A 26 -1.126 -5.772 6.758 1.00 0.00 C ATOM 192 OD1 ASN A 26 -1.111 -4.729 7.402 1.00 0.00 O ATOM 193 ND2 ASN A 26 -1.559 -6.862 7.333 1.00 0.00 N ATOM 0 H ASN A 26 -1.555 -6.912 2.439 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.673 -5.649 4.789 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.068 -6.765 5.187 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.046 -5.017 5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.877 -6.836 8.302 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.579 -7.739 6.813 1.00 0.00 H new ATOM 194 N CYS A 27 -2.621 -4.113 2.529 1.00 0.00 N ATOM 195 CA CYS A 27 -2.446 -3.071 1.474 1.00 0.00 C ATOM 196 C CYS A 27 -3.671 -2.128 1.265 1.00 0.00 C ATOM 197 O CYS A 27 -4.591 -2.421 0.493 1.00 0.00 O ATOM 198 CB CYS A 27 -2.082 -3.758 0.136 1.00 0.00 C ATOM 199 SG CYS A 27 -1.759 -2.512 -1.136 1.00 0.00 S ATOM 0 H CYS A 27 -3.591 -4.366 2.718 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.642 -2.424 1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.203 -4.389 0.270 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.897 -4.409 -0.181 1.00 0.00 H new ATOM 200 N CYS A 28 -3.661 -0.968 1.931 1.00 0.00 N ATOM 201 CA CYS A 28 -4.662 0.096 1.693 1.00 0.00 C ATOM 202 C CYS A 28 -3.942 1.347 1.100 1.00 0.00 C ATOM 203 O CYS A 28 -2.846 1.731 1.527 1.00 0.00 O ATOM 204 CB CYS A 28 -5.448 0.449 2.965 1.00 0.00 C ATOM 205 SG CYS A 28 -6.901 1.365 2.427 1.00 0.00 S ATOM 0 H CYS A 28 -2.970 -0.735 2.644 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.398 -0.271 0.978 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.736 -0.452 3.506 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.840 1.048 3.643 1.00 0.00 H new ATOM 206 N GLN A 29 -4.578 1.997 0.115 1.00 0.00 N ATOM 207 CA GLN A 29 -4.104 3.267 -0.481 1.00 0.00 C ATOM 208 C GLN A 29 -4.514 4.461 0.457 1.00 0.00 C ATOM 209 O GLN A 29 -5.679 4.727 0.695 1.00 0.00 O ATOM 210 CB GLN A 29 -4.649 3.407 -1.947 1.00 0.00 C ATOM 211 CG GLN A 29 -3.608 3.433 -3.115 1.00 0.00 C ATOM 212 CD GLN A 29 -2.185 3.927 -2.864 1.00 0.00 C ATOM 213 OE1 GLN A 29 -1.190 3.264 -3.125 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.086 5.054 -2.231 1.00 0.00 N ATOM 0 H GLN A 29 -5.446 1.657 -0.299 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.017 3.278 -0.558 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.336 2.580 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.234 4.325 -2.000 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.534 2.418 -3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.029 4.049 -3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.924 5.596 -2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.170 5.399 -1.944 1.00 0.00 H new ATOM 215 N HIS A 30 -3.493 5.211 0.826 1.00 0.00 N ATOM 216 CA HIS A 30 -3.343 6.266 1.881 1.00 0.00 C ATOM 217 C HIS A 30 -4.154 7.360 2.706 1.00 0.00 C ATOM 218 O HIS A 30 -3.427 7.901 3.538 1.00 0.00 O ATOM 219 CB HIS A 30 -2.246 7.110 1.121 1.00 0.00 C ATOM 220 CG HIS A 30 -2.737 8.329 0.315 1.00 0.00 C ATOM 221 ND1 HIS A 30 -3.898 8.247 -0.442 1.00 0.00 N ATOM 222 CD2 HIS A 30 -2.653 9.597 0.918 1.00 0.00 C ATOM 223 CE1 HIS A 30 -4.529 9.378 -0.009 1.00 0.00 C ATOM 224 NE2 HIS A 30 -3.866 10.254 0.813 1.00 0.00 N ATOM 0 H HIS A 30 -2.606 5.097 0.336 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.453 5.601 2.737 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.519 7.459 1.854 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -1.717 6.444 0.440 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -4.193 7.547 -1.122 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.771 9.999 1.393 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.545 9.582 -0.312 1.00 0.00 H new ATOM 225 N ASP A 31 -5.458 7.655 2.748 1.00 0.00 N ATOM 226 CA ASP A 31 -6.014 8.922 3.403 1.00 0.00 C ATOM 227 C ASP A 31 -5.290 9.747 4.557 1.00 0.00 C ATOM 228 O ASP A 31 -5.715 9.871 5.707 1.00 0.00 O ATOM 229 CB ASP A 31 -7.511 8.730 3.773 1.00 0.00 C ATOM 230 CG ASP A 31 -8.065 7.922 4.960 1.00 0.00 C ATOM 231 OD1 ASP A 31 -7.516 8.230 6.163 1.00 0.00 O ATOM 232 OD2 ASP A 31 -8.955 7.089 4.815 1.00 0.00 O ATOM 0 H ASP A 31 -6.177 7.055 2.345 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.788 9.593 2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.913 9.736 3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.978 8.303 2.886 1.00 0.00 H new ATOM 233 N THR A 32 -4.225 10.442 4.144 1.00 0.00 N ATOM 234 CA THR A 32 -3.462 11.401 5.004 1.00 0.00 C ATOM 235 C THR A 32 -3.012 12.720 4.253 1.00 0.00 C ATOM 236 O THR A 32 -2.185 13.462 4.791 1.00 0.00 O ATOM 237 CB THR A 32 -2.316 10.642 5.748 1.00 0.00 C ATOM 238 OG1 THR A 32 -1.691 11.523 6.673 1.00 0.00 O ATOM 239 CG2 THR A 32 -1.192 10.092 4.868 1.00 0.00 C ATOM 0 H THR A 32 -3.852 10.366 3.198 1.00 0.00 H new ATOM 0 HA THR A 32 -4.137 11.791 5.766 1.00 0.00 H new ATOM 0 HB THR A 32 -2.820 9.791 6.206 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.591 12.408 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.455 9.586 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.606 9.384 4.150 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.713 10.913 4.334 1.00 0.00 H new ATOM 240 N ILE A 33 -3.563 13.042 3.060 1.00 0.00 N ATOM 241 CA ILE A 33 -3.298 14.324 2.327 1.00 0.00 C ATOM 242 C ILE A 33 -4.605 14.890 1.664 1.00 0.00 C ATOM 243 O ILE A 33 -4.981 16.021 1.975 1.00 0.00 O ATOM 244 CB ILE A 33 -2.090 14.293 1.305 1.00 0.00 C ATOM 245 CG1 ILE A 33 -2.080 13.128 0.272 1.00 0.00 C ATOM 246 CG2 ILE A 33 -0.744 14.289 2.066 1.00 0.00 C ATOM 247 CD1 ILE A 33 -1.235 13.380 -0.991 1.00 0.00 C ATOM 0 H ILE A 33 -4.208 12.424 2.568 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.969 15.014 3.104 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.231 15.200 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.709 12.230 0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.107 12.924 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.078 14.268 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.669 15.188 2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.691 13.409 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.293 12.511 -1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.616 14.256 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.197 13.551 -0.706 1.00 0.00 H new ATOM 248 N LEU A 34 -5.288 14.156 0.758 1.00 0.00 N ATOM 249 CA LEU A 34 -6.472 14.684 0.008 1.00 0.00 C ATOM 250 C LEU A 34 -7.699 13.703 0.020 1.00 0.00 C ATOM 251 O LEU A 34 -8.728 14.024 0.617 1.00 0.00 O ATOM 252 CB LEU A 34 -6.026 15.059 -1.446 1.00 0.00 C ATOM 253 CG LEU A 34 -5.017 16.225 -1.629 1.00 0.00 C ATOM 254 CD1 LEU A 34 -4.549 16.295 -3.092 1.00 0.00 C ATOM 255 CD2 LEU A 34 -5.609 17.587 -1.228 1.00 0.00 C ATOM 0 H LEU A 34 -5.047 13.194 0.521 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.829 15.579 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.591 14.169 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.922 15.302 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.175 16.017 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.842 17.116 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.065 15.357 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.409 16.461 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.861 18.366 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.482 17.800 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.904 17.561 -0.179 1.00 0.00 H new ATOM 256 N SER A 35 -7.626 12.534 -0.646 1.00 0.00 N ATOM 257 CA SER A 35 -8.782 11.601 -0.789 1.00 0.00 C ATOM 258 C SER A 35 -8.932 10.519 0.334 1.00 0.00 C ATOM 259 O SER A 35 -7.987 10.213 1.067 1.00 0.00 O ATOM 260 CB SER A 35 -8.601 10.930 -2.180 1.00 0.00 C ATOM 261 OG SER A 35 -7.504 10.008 -2.211 1.00 0.00 O ATOM 0 H SER A 35 -6.775 12.203 -1.100 1.00 0.00 H new ATOM 0 HA SER A 35 -9.703 12.176 -0.694 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.518 10.406 -2.448 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.443 11.702 -2.933 1.00 0.00 H new ATOM 0 HG SER A 35 -7.434 9.613 -3.105 1.00 0.00 H new ATOM 262 N LEU A 36 -10.124 9.891 0.420 1.00 0.00 N ATOM 263 CA LEU A 36 -10.383 8.742 1.346 1.00 0.00 C ATOM 264 C LEU A 36 -9.557 7.454 0.935 1.00 0.00 C ATOM 265 O LEU A 36 -9.060 7.368 -0.197 1.00 0.00 O ATOM 266 CB LEU A 36 -11.931 8.563 1.377 1.00 0.00 C ATOM 267 CG LEU A 36 -12.533 7.708 2.523 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.263 8.289 3.923 1.00 0.00 C ATOM 269 CD2 LEU A 36 -14.057 7.595 2.342 1.00 0.00 C ATOM 0 H LEU A 36 -10.934 10.155 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.030 8.932 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.383 9.554 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.237 8.118 0.430 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.047 6.734 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.711 7.643 4.678 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.188 8.351 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.699 9.286 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.476 6.994 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.501 8.590 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.276 7.121 1.385 1.00 0.00 H new ATOM 270 N SER A 37 -9.390 6.448 1.822 1.00 0.00 N ATOM 271 CA SER A 37 -8.485 5.299 1.523 1.00 0.00 C ATOM 272 C SER A 37 -9.250 4.123 0.851 1.00 0.00 C ATOM 273 O SER A 37 -10.257 3.626 1.364 1.00 0.00 O ATOM 274 CB SER A 37 -7.792 4.686 2.769 1.00 0.00 C ATOM 275 OG SER A 37 -7.148 5.632 3.573 1.00 0.00 O ATOM 0 H SER A 37 -9.853 6.400 2.730 1.00 0.00 H new ATOM 0 HA SER A 37 -7.735 5.738 0.865 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.537 4.160 3.367 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.064 3.944 2.441 1.00 0.00 H new ATOM 0 HG SER A 37 -7.528 5.606 4.476 1.00 0.00 H new ATOM 276 N ARG A 38 -8.730 3.666 -0.287 1.00 0.00 N ATOM 277 CA ARG A 38 -9.269 2.463 -1.005 1.00 0.00 C ATOM 278 C ARG A 38 -8.241 1.302 -0.934 1.00 0.00 C ATOM 279 O ARG A 38 -7.045 1.550 -0.825 1.00 0.00 O ATOM 280 CB ARG A 38 -9.567 2.834 -2.488 1.00 0.00 C ATOM 281 CG ARG A 38 -10.874 3.634 -2.672 1.00 0.00 C ATOM 282 CD ARG A 38 -11.109 4.211 -4.077 1.00 0.00 C ATOM 283 NE ARG A 38 -11.712 3.197 -4.976 1.00 0.00 N ATOM 284 CZ ARG A 38 -11.870 3.333 -6.286 1.00 0.00 C ATOM 285 NH1 ARG A 38 -11.401 4.333 -6.986 1.00 0.00 N ATOM 286 NH2 ARG A 38 -12.536 2.412 -6.909 1.00 0.00 N ATOM 0 H ARG A 38 -7.931 4.099 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.194 2.138 -0.528 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.735 3.417 -2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.624 1.920 -3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.714 2.986 -2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.879 4.456 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.764 5.080 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.163 4.556 -4.495 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.031 2.325 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.874 5.075 -6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.562 4.371 -7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.916 1.620 -6.392 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.680 2.480 -7.917 1.00 0.00 H new ATOM 287 N CYS A 39 -8.628 0.023 -1.026 1.00 0.00 N ATOM 288 CA CYS A 39 -7.636 -1.082 -1.090 1.00 0.00 C ATOM 289 C CYS A 39 -6.750 -1.002 -2.372 1.00 0.00 C ATOM 290 O CYS A 39 -7.119 -0.484 -3.430 1.00 0.00 O ATOM 291 CB CYS A 39 -8.332 -2.446 -0.993 1.00 0.00 C ATOM 292 SG CYS A 39 -8.860 -2.809 0.688 1.00 0.00 S ATOM 0 H CYS A 39 -9.602 -0.279 -1.058 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.973 -0.969 -0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.197 -2.461 -1.657 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.653 -3.226 -1.337 1.00 0.00 H new ATOM 293 N ALA A 40 -5.548 -1.527 -2.206 1.00 0.00 N ATOM 294 CA ALA A 40 -4.481 -1.509 -3.220 1.00 0.00 C ATOM 295 C ALA A 40 -3.816 -2.922 -3.348 1.00 0.00 C ATOM 296 O ALA A 40 -4.280 -3.927 -2.795 1.00 0.00 O ATOM 297 CB ALA A 40 -3.616 -0.322 -2.732 1.00 0.00 C ATOM 0 H ALA A 40 -5.269 -1.993 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.772 -1.344 -4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.769 -0.189 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.218 0.587 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.252 -0.527 -1.725 1.00 0.00 H new ATOM 298 N LEU A 41 -2.733 -3.006 -4.124 1.00 0.00 N ATOM 299 CA LEU A 41 -1.966 -4.277 -4.312 1.00 0.00 C ATOM 300 C LEU A 41 -0.451 -4.104 -3.965 1.00 0.00 C ATOM 301 O LEU A 41 0.124 -3.024 -4.127 1.00 0.00 O ATOM 302 CB LEU A 41 -2.135 -4.763 -5.786 1.00 0.00 C ATOM 303 CG LEU A 41 -3.546 -5.217 -6.249 1.00 0.00 C ATOM 304 CD1 LEU A 41 -3.521 -5.558 -7.748 1.00 0.00 C ATOM 305 CD2 LEU A 41 -4.080 -6.432 -5.470 1.00 0.00 C ATOM 0 H LEU A 41 -2.352 -2.214 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.366 -5.023 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.813 -3.955 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.449 -5.595 -5.944 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.218 -4.382 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.514 -5.876 -8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.223 -4.677 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.808 -6.363 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.069 -6.697 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.403 -7.276 -5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.146 -6.184 -4.411 1.00 0.00 H new ATOM 306 N LYS A 42 0.206 -5.187 -3.501 1.00 0.00 N ATOM 307 CA LYS A 42 1.685 -5.198 -3.267 1.00 0.00 C ATOM 308 C LYS A 42 2.480 -5.003 -4.607 1.00 0.00 C ATOM 309 O LYS A 42 2.079 -5.498 -5.667 1.00 0.00 O ATOM 310 CB LYS A 42 2.079 -6.535 -2.576 1.00 0.00 C ATOM 311 CG LYS A 42 1.938 -6.535 -1.038 1.00 0.00 C ATOM 312 CD LYS A 42 2.331 -7.891 -0.413 1.00 0.00 C ATOM 313 CE LYS A 42 2.647 -7.831 1.092 1.00 0.00 C ATOM 314 NZ LYS A 42 3.987 -7.251 1.322 1.00 0.00 N ATOM 0 H LYS A 42 -0.254 -6.070 -3.278 1.00 0.00 H new ATOM 0 HA LYS A 42 1.947 -4.362 -2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.460 -7.334 -2.984 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.112 -6.769 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.565 -5.749 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.908 -6.299 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.519 -8.600 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.202 -8.281 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.893 -7.232 1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.601 -8.833 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.121 -7.078 2.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.714 -7.913 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.070 -6.353 0.804 1.00 0.00 H new ATOM 315 N ALA A 43 3.613 -4.290 -4.561 1.00 0.00 N ATOM 316 CA ALA A 43 4.356 -3.933 -5.790 1.00 0.00 C ATOM 317 C ALA A 43 5.230 -5.067 -6.425 1.00 0.00 C ATOM 318 O ALA A 43 5.811 -5.949 -5.784 1.00 0.00 O ATOM 319 CB ALA A 43 5.177 -2.685 -5.419 1.00 0.00 C ATOM 0 H ALA A 43 4.037 -3.949 -3.698 1.00 0.00 H new ATOM 0 HA ALA A 43 3.644 -3.746 -6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.756 -2.360 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.504 -1.885 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.853 -2.925 -4.598 1.00 0.00 H new ATOM 320 N ARG A 44 5.272 -4.964 -7.754 1.00 0.00 N ATOM 321 CA ARG A 44 5.986 -5.894 -8.662 1.00 0.00 C ATOM 322 C ARG A 44 7.342 -5.287 -9.137 1.00 0.00 C ATOM 323 O ARG A 44 7.622 -4.102 -8.948 1.00 0.00 O ATOM 324 CB ARG A 44 5.028 -6.167 -9.864 1.00 0.00 C ATOM 325 CG ARG A 44 4.030 -7.325 -9.672 1.00 0.00 C ATOM 326 CD ARG A 44 2.749 -6.990 -8.890 1.00 0.00 C ATOM 327 NE ARG A 44 1.911 -8.218 -8.841 1.00 0.00 N ATOM 328 CZ ARG A 44 0.866 -8.406 -8.044 1.00 0.00 C ATOM 329 NH1 ARG A 44 0.498 -7.584 -7.098 1.00 0.00 N ATOM 330 NH2 ARG A 44 0.170 -9.486 -8.208 1.00 0.00 N ATOM 0 H ARG A 44 4.799 -4.211 -8.254 1.00 0.00 H new ATOM 0 HA ARG A 44 6.236 -6.824 -8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.465 -5.257 -10.070 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.632 -6.375 -10.747 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.744 -7.698 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.543 -8.139 -9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.994 -6.654 -7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.208 -6.177 -9.374 1.00 0.00 H new ATOM 0 HE ARG A 44 2.160 -8.979 -9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.027 -6.728 -6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.319 -7.798 -6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.432 -10.157 -8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.640 -9.666 -7.615 1.00 0.00 H new ATOM 331 N GLU A 45 8.184 -6.096 -9.800 1.00 0.00 N ATOM 332 CA GLU A 45 9.548 -5.663 -10.222 1.00 0.00 C ATOM 333 C GLU A 45 9.524 -4.416 -11.176 1.00 0.00 C ATOM 334 O GLU A 45 8.874 -4.417 -12.224 1.00 0.00 O ATOM 335 CB GLU A 45 10.319 -6.866 -10.829 1.00 0.00 C ATOM 336 CG GLU A 45 11.842 -6.599 -10.995 1.00 0.00 C ATOM 337 CD GLU A 45 12.711 -7.845 -11.103 1.00 0.00 C ATOM 338 OE1 GLU A 45 12.750 -8.343 -12.368 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.312 -8.343 -10.156 1.00 0.00 O ATOM 0 H GLU A 45 7.955 -7.055 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 45 10.085 -5.327 -9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.177 -7.739 -10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.892 -7.109 -11.802 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.993 -5.992 -11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.186 -6.008 -10.146 1.00 0.00 H new ATOM 340 N ASN A 46 10.253 -3.373 -10.753 1.00 0.00 N ATOM 341 CA ASN A 46 10.282 -2.008 -11.389 1.00 0.00 C ATOM 342 C ASN A 46 9.094 -1.062 -10.932 1.00 0.00 C ATOM 343 O ASN A 46 8.829 -0.054 -11.594 1.00 0.00 O ATOM 344 CB ASN A 46 10.473 -2.019 -12.940 1.00 0.00 C ATOM 345 CG ASN A 46 11.747 -2.695 -13.442 1.00 0.00 C ATOM 346 OD1 ASN A 46 12.848 -2.171 -13.337 1.00 0.00 O ATOM 347 ND2 ASN A 46 11.647 -3.874 -13.998 1.00 0.00 N ATOM 0 H ASN A 46 10.863 -3.437 -9.938 1.00 0.00 H new ATOM 0 HA ASN A 46 11.193 -1.561 -10.991 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.616 -2.519 -13.390 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.465 -0.989 -13.297 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.482 -4.349 -14.340 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.734 -4.319 -14.090 1.00 0.00 H new ATOM 348 N SER A 47 8.449 -1.296 -9.767 1.00 0.00 N ATOM 349 CA SER A 47 7.400 -0.401 -9.203 1.00 0.00 C ATOM 350 C SER A 47 7.790 0.121 -7.782 1.00 0.00 C ATOM 351 O SER A 47 8.464 -0.552 -6.996 1.00 0.00 O ATOM 352 CB SER A 47 6.070 -1.193 -9.177 1.00 0.00 C ATOM 353 OG SER A 47 4.987 -0.400 -8.682 1.00 0.00 O ATOM 0 H SER A 47 8.638 -2.112 -9.186 1.00 0.00 H new ATOM 0 HA SER A 47 7.292 0.486 -9.827 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.835 -1.541 -10.183 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.187 -2.079 -8.552 1.00 0.00 H new ATOM 0 HG SER A 47 4.165 -0.933 -8.682 1.00 0.00 H new ATOM 354 N GLU A 48 7.319 1.329 -7.435 1.00 0.00 N ATOM 355 CA GLU A 48 7.582 1.972 -6.129 1.00 0.00 C ATOM 356 C GLU A 48 6.866 1.259 -4.928 1.00 0.00 C ATOM 357 O GLU A 48 5.724 0.796 -4.998 1.00 0.00 O ATOM 358 CB GLU A 48 7.136 3.460 -6.201 1.00 0.00 C ATOM 359 CG GLU A 48 8.068 4.410 -6.996 1.00 0.00 C ATOM 360 CD GLU A 48 7.570 5.850 -7.052 1.00 0.00 C ATOM 361 OE1 GLU A 48 7.738 6.508 -5.873 1.00 0.00 O ATOM 362 OE2 GLU A 48 7.070 6.361 -8.047 1.00 0.00 O ATOM 0 H GLU A 48 6.740 1.895 -8.055 1.00 0.00 H new ATOM 0 HA GLU A 48 8.652 1.893 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.143 3.500 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.044 3.841 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.059 4.395 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.176 4.032 -8.013 1.00 0.00 H new ATOM 363 N CYS A 49 7.608 1.220 -3.827 1.00 0.00 N ATOM 364 CA CYS A 49 7.224 0.529 -2.568 1.00 0.00 C ATOM 365 C CYS A 49 7.612 1.326 -1.279 1.00 0.00 C ATOM 366 O CYS A 49 8.650 1.999 -1.207 1.00 0.00 O ATOM 367 CB CYS A 49 7.922 -0.850 -2.590 1.00 0.00 C ATOM 368 SG CYS A 49 9.687 -0.701 -2.944 1.00 0.00 S ATOM 0 H CYS A 49 8.519 1.675 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 49 6.139 0.436 -2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.784 -1.343 -1.628 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.452 -1.483 -3.342 1.00 0.00 H new ATOM 369 N SER A 50 6.811 1.175 -0.208 1.00 0.00 N ATOM 370 CA SER A 50 7.126 1.762 1.123 1.00 0.00 C ATOM 371 C SER A 50 8.217 0.880 1.805 1.00 0.00 C ATOM 372 O SER A 50 7.953 -0.250 2.228 1.00 0.00 O ATOM 373 CB SER A 50 5.843 1.866 1.985 1.00 0.00 C ATOM 374 OG SER A 50 5.256 0.588 2.248 1.00 0.00 O ATOM 0 H SER A 50 5.936 0.651 -0.231 1.00 0.00 H new ATOM 0 HA SER A 50 7.512 2.775 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.082 2.354 2.930 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.116 2.498 1.475 1.00 0.00 H new ATOM 0 HG SER A 50 5.961 -0.090 2.306 1.00 0.00 H new ATOM 375 N ALA A 51 9.433 1.424 1.934 1.00 0.00 N ATOM 376 CA ALA A 51 10.614 0.654 2.422 1.00 0.00 C ATOM 377 C ALA A 51 10.776 0.326 3.955 1.00 0.00 C ATOM 378 O ALA A 51 11.871 0.030 4.439 1.00 0.00 O ATOM 379 CB ALA A 51 11.758 1.581 1.974 1.00 0.00 C ATOM 0 H ALA A 51 9.639 2.397 1.710 1.00 0.00 H new ATOM 0 HA ALA A 51 10.553 -0.360 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.714 1.146 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.728 1.699 0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.643 2.556 2.448 1.00 0.00 H new ATOM 380 N PHE A 52 9.679 0.379 4.707 1.00 0.00 N ATOM 381 CA PHE A 52 9.653 0.219 6.194 1.00 0.00 C ATOM 382 C PHE A 52 8.254 -0.212 6.747 1.00 0.00 C ATOM 383 O PHE A 52 8.100 -1.230 7.420 1.00 0.00 O ATOM 384 CB PHE A 52 10.250 1.503 6.879 1.00 0.00 C ATOM 385 CG PHE A 52 9.461 2.835 6.821 1.00 0.00 C ATOM 386 CD1 PHE A 52 9.194 3.465 5.600 1.00 0.00 C ATOM 387 CD2 PHE A 52 8.953 3.395 7.998 1.00 0.00 C ATOM 388 CE1 PHE A 52 8.404 4.610 5.552 1.00 0.00 C ATOM 389 CE2 PHE A 52 8.187 4.556 7.952 1.00 0.00 C ATOM 390 CZ PHE A 52 7.908 5.162 6.729 1.00 0.00 C ATOM 0 H PHE A 52 8.753 0.537 4.309 1.00 0.00 H new ATOM 0 HA PHE A 52 10.297 -0.620 6.460 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.414 1.266 7.930 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.229 1.684 6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.604 3.059 4.687 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.156 2.924 8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.176 5.070 4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.808 4.988 8.866 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.308 6.059 6.695 1.00 0.00 H new ATOM 391 N THR A 53 7.264 0.611 6.414 1.00 0.00 N ATOM 392 CA THR A 53 5.843 0.562 6.875 1.00 0.00 C ATOM 393 C THR A 53 5.650 0.996 8.367 1.00 0.00 C ATOM 394 O THR A 53 6.484 0.813 9.257 1.00 0.00 O ATOM 395 CB THR A 53 5.044 -0.765 6.617 1.00 0.00 C ATOM 396 OG1 THR A 53 5.616 -1.881 7.285 1.00 0.00 O ATOM 397 CG2 THR A 53 4.924 -1.133 5.138 1.00 0.00 C ATOM 0 H THR A 53 7.423 1.388 5.773 1.00 0.00 H new ATOM 0 HA THR A 53 5.401 1.304 6.209 1.00 0.00 H new ATOM 0 HB THR A 53 4.052 -0.549 7.014 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.455 -1.611 7.714 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.360 -2.060 5.038 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.407 -0.335 4.605 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.919 -1.267 4.714 1.00 0.00 H new ATOM 398 N LEU A 54 4.487 1.610 8.588 1.00 0.00 N ATOM 399 CA LEU A 54 3.980 1.990 9.932 1.00 0.00 C ATOM 400 C LEU A 54 2.933 0.892 10.358 1.00 0.00 C ATOM 401 O LEU A 54 3.146 -0.308 10.155 1.00 0.00 O ATOM 402 CB LEU A 54 3.434 3.453 9.759 1.00 0.00 C ATOM 403 CG LEU A 54 2.180 3.643 8.834 1.00 0.00 C ATOM 404 CD1 LEU A 54 1.106 4.525 9.486 1.00 0.00 C ATOM 405 CD2 LEU A 54 2.541 4.168 7.441 1.00 0.00 C ATOM 0 H LEU A 54 3.851 1.867 7.833 1.00 0.00 H new ATOM 0 HA LEU A 54 4.710 2.013 10.742 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.187 3.841 10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.241 4.071 9.366 1.00 0.00 H new ATOM 0 HG LEU A 54 1.761 2.646 8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.258 4.627 8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.773 4.065 10.416 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.523 5.510 9.697 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.633 4.279 6.848 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.035 5.135 7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.212 3.464 6.949 1.00 0.00 H new ATOM 406 N TYR A 55 1.807 1.284 10.974 1.00 0.00 N ATOM 407 CA TYR A 55 0.674 0.353 11.193 1.00 0.00 C ATOM 408 C TYR A 55 -0.651 1.117 10.851 1.00 0.00 C ATOM 409 O TYR A 55 -1.488 1.449 11.693 1.00 0.00 O ATOM 410 CB TYR A 55 0.731 -0.386 12.568 1.00 0.00 C ATOM 411 CG TYR A 55 0.178 -1.806 12.354 1.00 0.00 C ATOM 412 CD1 TYR A 55 1.008 -2.734 11.711 1.00 0.00 C ATOM 413 CD2 TYR A 55 -1.208 -1.989 12.329 1.00 0.00 C ATOM 414 CE1 TYR A 55 0.452 -3.759 10.954 1.00 0.00 C ATOM 415 CE2 TYR A 55 -1.760 -3.029 11.586 1.00 0.00 C ATOM 416 CZ TYR A 55 -0.931 -3.909 10.893 1.00 0.00 C ATOM 417 OH TYR A 55 -1.477 -4.845 10.060 1.00 0.00 O ATOM 0 H TYR A 55 1.651 2.228 11.328 1.00 0.00 H new ATOM 0 HA TYR A 55 0.733 -0.497 10.513 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.755 -0.425 12.940 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.141 0.147 13.314 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.081 -2.653 11.804 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.851 -1.323 12.886 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.093 -4.439 10.413 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.832 -3.154 11.547 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.475 -4.506 9.141 1.00 0.00 H new ATOM 418 N GLY A 56 -0.795 1.392 9.548 1.00 0.00 N ATOM 419 CA GLY A 56 -1.924 2.164 8.981 1.00 0.00 C ATOM 420 C GLY A 56 -1.830 2.258 7.443 1.00 0.00 C ATOM 421 O GLY A 56 -1.175 1.443 6.793 1.00 0.00 O ATOM 0 H GLY A 56 -0.125 1.083 8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.866 1.692 9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.931 3.167 9.408 1.00 0.00 H new ATOM 422 N VAL A 57 -2.464 3.269 6.848 1.00 0.00 N ATOM 423 CA VAL A 57 -2.609 3.351 5.354 1.00 0.00 C ATOM 424 C VAL A 57 -1.275 3.776 4.630 1.00 0.00 C ATOM 425 O VAL A 57 -0.423 4.473 5.194 1.00 0.00 O ATOM 426 CB VAL A 57 -3.768 4.307 4.935 1.00 0.00 C ATOM 427 CG1 VAL A 57 -4.405 3.878 3.606 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.999 4.393 5.815 1.00 0.00 C ATOM 0 H VAL A 57 -2.889 4.047 7.353 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.853 2.340 5.029 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.222 5.250 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.208 4.568 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.650 3.890 2.820 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.810 2.871 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.707 5.100 5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.465 3.410 5.885 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.711 4.730 6.811 1.00 0.00 H new ATOM 429 N TYR A 58 -1.114 3.389 3.352 1.00 0.00 N ATOM 430 CA TYR A 58 0.158 3.565 2.607 1.00 0.00 C ATOM 431 C TYR A 58 0.082 4.377 1.281 1.00 0.00 C ATOM 432 O TYR A 58 -0.804 4.183 0.446 1.00 0.00 O ATOM 433 CB TYR A 58 0.632 2.126 2.252 1.00 0.00 C ATOM 434 CG TYR A 58 0.863 1.101 3.379 1.00 0.00 C ATOM 435 CD1 TYR A 58 1.401 1.461 4.620 1.00 0.00 C ATOM 436 CD2 TYR A 58 0.490 -0.223 3.149 1.00 0.00 C ATOM 437 CE1 TYR A 58 1.620 0.491 5.597 1.00 0.00 C ATOM 438 CE2 TYR A 58 0.742 -1.196 4.113 1.00 0.00 C ATOM 439 CZ TYR A 58 1.302 -0.841 5.336 1.00 0.00 C ATOM 440 OH TYR A 58 1.498 -1.809 6.285 1.00 0.00 O ATOM 0 H TYR A 58 -1.853 2.948 2.804 1.00 0.00 H new ATOM 0 HA TYR A 58 0.824 4.143 3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.103 1.700 1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.566 2.218 1.698 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.647 2.493 4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.005 -0.494 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.035 0.771 6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.502 -2.229 3.911 1.00 0.00 H new ATOM 0 HH TYR A 58 1.219 -2.678 5.928 1.00 0.00 H new ATOM 441 N TYR A 59 1.087 5.233 1.052 1.00 0.00 N ATOM 442 CA TYR A 59 1.257 5.979 -0.240 1.00 0.00 C ATOM 443 C TYR A 59 1.645 5.061 -1.459 1.00 0.00 C ATOM 444 O TYR A 59 1.177 5.287 -2.574 1.00 0.00 O ATOM 445 CB TYR A 59 2.320 7.088 -0.011 1.00 0.00 C ATOM 446 CG TYR A 59 1.874 8.282 0.846 1.00 0.00 C ATOM 447 CD1 TYR A 59 1.280 9.403 0.254 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.099 8.274 2.226 1.00 0.00 C ATOM 449 CE1 TYR A 59 0.974 10.523 1.027 1.00 0.00 C ATOM 450 CE2 TYR A 59 1.773 9.386 2.994 1.00 0.00 C ATOM 451 CZ TYR A 59 1.268 10.529 2.384 1.00 0.00 C ATOM 452 OH TYR A 59 1.135 11.686 3.099 1.00 0.00 O ATOM 0 H TYR A 59 1.810 5.439 1.741 1.00 0.00 H new ATOM 0 HA TYR A 59 0.294 6.410 -0.515 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.193 6.635 0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.640 7.463 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.058 9.401 -0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.527 7.401 2.697 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.509 11.384 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.912 9.362 4.065 1.00 0.00 H new ATOM 0 HH TYR A 59 1.332 11.512 4.043 1.00 0.00 H new ATOM 453 N LYS A 60 2.508 4.060 -1.228 1.00 0.00 N ATOM 454 CA LYS A 60 2.896 3.025 -2.213 1.00 0.00 C ATOM 455 C LYS A 60 3.039 1.718 -1.367 1.00 0.00 C ATOM 456 O LYS A 60 3.960 1.626 -0.552 1.00 0.00 O ATOM 457 CB LYS A 60 4.240 3.397 -2.913 1.00 0.00 C ATOM 458 CG LYS A 60 4.273 4.659 -3.807 1.00 0.00 C ATOM 459 CD LYS A 60 3.441 4.534 -5.101 1.00 0.00 C ATOM 460 CE LYS A 60 3.499 5.776 -6.007 1.00 0.00 C ATOM 461 NZ LYS A 60 2.717 6.889 -5.429 1.00 0.00 N ATOM 0 H LYS A 60 2.971 3.940 -0.327 1.00 0.00 H new ATOM 0 HA LYS A 60 2.165 2.918 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.997 3.518 -2.138 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.543 2.547 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.906 5.509 -3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.308 4.877 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.793 3.670 -5.664 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.402 4.340 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.536 6.086 -6.140 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.111 5.529 -6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.772 7.715 -6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.724 6.598 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.104 7.138 -4.497 1.00 0.00 H new ATOM 462 N CYS A 61 2.142 0.723 -1.483 1.00 0.00 N ATOM 463 CA CYS A 61 2.256 -0.557 -0.713 1.00 0.00 C ATOM 464 C CYS A 61 3.649 -1.312 -0.816 1.00 0.00 C ATOM 465 O CYS A 61 4.319 -1.198 -1.850 1.00 0.00 O ATOM 466 CB CYS A 61 1.142 -1.491 -1.230 1.00 0.00 C ATOM 467 SG CYS A 61 -0.483 -1.060 -0.594 1.00 0.00 S ATOM 0 H CYS A 61 1.328 0.767 -2.097 1.00 0.00 H new ATOM 0 HA CYS A 61 2.165 -0.296 0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.121 -1.456 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.376 -2.518 -0.949 1.00 0.00 H new ATOM 468 N PRO A 62 4.120 -2.097 0.203 1.00 0.00 N ATOM 469 CA PRO A 62 5.423 -2.823 0.115 1.00 0.00 C ATOM 470 C PRO A 62 5.524 -3.920 -1.006 1.00 0.00 C ATOM 471 O PRO A 62 4.529 -4.334 -1.610 1.00 0.00 O ATOM 472 CB PRO A 62 5.558 -3.371 1.554 1.00 0.00 C ATOM 473 CG PRO A 62 4.128 -3.506 2.082 1.00 0.00 C ATOM 474 CD PRO A 62 3.394 -2.318 1.473 1.00 0.00 C ATOM 0 HA PRO A 62 6.243 -2.178 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.070 -4.333 1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.143 -2.695 2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.678 -4.451 1.778 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.101 -3.476 3.171 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.340 -2.538 1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.436 -1.442 2.120 1.00 0.00 H new ATOM 475 N CYS A 63 6.751 -4.382 -1.294 1.00 0.00 N ATOM 476 CA CYS A 63 6.990 -5.443 -2.309 1.00 0.00 C ATOM 477 C CYS A 63 6.464 -6.865 -1.894 1.00 0.00 C ATOM 478 O CYS A 63 6.404 -7.227 -0.713 1.00 0.00 O ATOM 479 CB CYS A 63 8.517 -5.474 -2.549 1.00 0.00 C ATOM 480 SG CYS A 63 9.162 -3.892 -3.132 1.00 0.00 S ATOM 0 H CYS A 63 7.600 -4.042 -0.842 1.00 0.00 H new ATOM 0 HA CYS A 63 6.428 -5.202 -3.211 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.021 -5.748 -1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.750 -6.248 -3.280 1.00 0.00 H new ATOM 481 N GLU A 64 6.087 -7.681 -2.889 1.00 0.00 N ATOM 482 CA GLU A 64 5.671 -9.096 -2.669 1.00 0.00 C ATOM 483 C GLU A 64 6.836 -10.078 -2.277 1.00 0.00 C ATOM 484 O GLU A 64 8.019 -9.771 -2.444 1.00 0.00 O ATOM 485 CB GLU A 64 4.870 -9.502 -3.938 1.00 0.00 C ATOM 486 CG GLU A 64 5.613 -9.531 -5.309 1.00 0.00 C ATOM 487 CD GLU A 64 4.699 -9.577 -6.533 1.00 0.00 C ATOM 488 OE1 GLU A 64 3.716 -8.638 -6.476 1.00 0.00 O ATOM 489 OE2 GLU A 64 4.852 -10.349 -7.474 1.00 0.00 O ATOM 0 H GLU A 64 6.058 -7.392 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 64 5.044 -9.175 -1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.455 -10.495 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.028 -8.817 -4.032 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.248 -8.648 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.271 -10.400 -5.331 1.00 0.00 H new ATOM 490 N ARG A 65 6.494 -11.269 -1.738 1.00 0.00 N ATOM 491 CA ARG A 65 7.488 -12.251 -1.203 1.00 0.00 C ATOM 492 C ARG A 65 8.618 -12.669 -2.208 1.00 0.00 C ATOM 493 O ARG A 65 8.381 -13.243 -3.274 1.00 0.00 O ATOM 494 CB ARG A 65 6.723 -13.484 -0.634 1.00 0.00 C ATOM 495 CG ARG A 65 6.451 -13.383 0.892 1.00 0.00 C ATOM 496 CD ARG A 65 7.556 -13.936 1.828 1.00 0.00 C ATOM 497 NE ARG A 65 8.909 -13.334 1.655 1.00 0.00 N ATOM 498 CZ ARG A 65 9.297 -12.145 2.107 1.00 0.00 C ATOM 499 NH1 ARG A 65 8.530 -11.327 2.778 1.00 0.00 N ATOM 500 NH2 ARG A 65 10.511 -11.768 1.852 1.00 0.00 N ATOM 0 H ARG A 65 5.527 -11.584 -1.657 1.00 0.00 H new ATOM 0 HA ARG A 65 8.035 -11.746 -0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.774 -13.589 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.300 -14.386 -0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.286 -12.335 1.141 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.523 -13.912 1.109 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.241 -13.786 2.861 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.634 -15.012 1.672 1.00 0.00 H new ATOM 0 HE ARG A 65 9.599 -13.884 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.566 -11.587 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.896 -10.429 3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.133 -12.377 1.321 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.844 -10.862 2.183 1.00 0.00 H new ATOM 501 N GLY A 66 9.854 -12.356 -1.803 1.00 0.00 N ATOM 502 CA GLY A 66 11.065 -12.508 -2.667 1.00 0.00 C ATOM 503 C GLY A 66 11.711 -11.184 -3.169 1.00 0.00 C ATOM 504 O GLY A 66 12.919 -11.142 -3.412 1.00 0.00 O ATOM 0 H GLY A 66 10.059 -11.990 -0.873 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.816 -13.069 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.796 -13.110 -3.535 1.00 0.00 H new ATOM 505 N LEU A 67 10.911 -10.120 -3.345 1.00 0.00 N ATOM 506 CA LEU A 67 11.365 -8.805 -3.861 1.00 0.00 C ATOM 507 C LEU A 67 11.597 -7.768 -2.710 1.00 0.00 C ATOM 508 O LEU A 67 10.874 -7.705 -1.712 1.00 0.00 O ATOM 509 CB LEU A 67 10.302 -8.305 -4.886 1.00 0.00 C ATOM 510 CG LEU A 67 10.447 -8.823 -6.340 1.00 0.00 C ATOM 511 CD1 LEU A 67 10.227 -10.337 -6.506 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.447 -8.097 -7.247 1.00 0.00 C ATOM 0 H LEU A 67 9.914 -10.143 -3.131 1.00 0.00 H new ATOM 0 HA LEU A 67 12.332 -8.916 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.315 -8.588 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.334 -7.216 -4.907 1.00 0.00 H new ATOM 0 HG LEU A 67 11.481 -8.618 -6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.348 -10.609 -7.554 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.956 -10.879 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.221 -10.597 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.551 -8.463 -8.269 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.433 -8.286 -6.895 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.646 -7.026 -7.223 1.00 0.00 H new ATOM 513 N THR A 68 12.621 -6.926 -2.894 1.00 0.00 N ATOM 514 CA THR A 68 13.055 -5.904 -1.897 1.00 0.00 C ATOM 515 C THR A 68 12.795 -4.443 -2.383 1.00 0.00 C ATOM 516 O THR A 68 12.760 -4.157 -3.581 1.00 0.00 O ATOM 517 CB THR A 68 14.562 -6.160 -1.573 1.00 0.00 C ATOM 518 OG1 THR A 68 14.800 -5.779 -0.224 1.00 0.00 O ATOM 519 CG2 THR A 68 15.589 -5.381 -2.407 1.00 0.00 C ATOM 0 H THR A 68 13.186 -6.924 -3.743 1.00 0.00 H new ATOM 0 HA THR A 68 12.459 -6.006 -0.990 1.00 0.00 H new ATOM 0 HB THR A 68 14.706 -7.217 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.761 -5.826 -0.035 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.596 -5.647 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.467 -5.631 -3.461 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.434 -4.311 -2.268 1.00 0.00 H new ATOM 520 N CYS A 69 12.738 -3.499 -1.440 1.00 0.00 N ATOM 521 CA CYS A 69 12.546 -2.058 -1.771 1.00 0.00 C ATOM 522 C CYS A 69 13.899 -1.292 -2.023 1.00 0.00 C ATOM 523 O CYS A 69 14.414 -0.584 -1.152 1.00 0.00 O ATOM 524 CB CYS A 69 11.635 -1.484 -0.662 1.00 0.00 C ATOM 525 SG CYS A 69 10.738 -0.085 -1.347 1.00 0.00 S ATOM 0 H CYS A 69 12.820 -3.691 -0.442 1.00 0.00 H new ATOM 0 HA CYS A 69 12.054 -1.924 -2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.940 -2.245 -0.308 1.00 0.00 H new ATOM 0 HB3 CYS A 69 12.230 -1.172 0.196 1.00 0.00 H new ATOM 526 N GLU A 70 14.467 -1.422 -3.230 1.00 0.00 N ATOM 527 CA GLU A 70 15.799 -0.862 -3.593 1.00 0.00 C ATOM 528 C GLU A 70 15.709 0.480 -4.400 1.00 0.00 C ATOM 529 O GLU A 70 15.406 0.481 -5.597 1.00 0.00 O ATOM 530 CB GLU A 70 16.509 -1.999 -4.393 1.00 0.00 C ATOM 531 CG GLU A 70 17.993 -1.761 -4.780 1.00 0.00 C ATOM 532 CD GLU A 70 18.980 -1.739 -3.616 1.00 0.00 C ATOM 533 OE1 GLU A 70 19.105 -0.501 -3.067 1.00 0.00 O ATOM 534 OE2 GLU A 70 19.594 -2.722 -3.219 1.00 0.00 O ATOM 0 H GLU A 70 14.019 -1.922 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 70 16.363 -0.580 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.454 -2.914 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.943 -2.175 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 70 18.298 -2.541 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.064 -0.812 -5.312 1.00 0.00 H new ATOM 535 N GLY A 71 15.964 1.633 -3.760 1.00 0.00 N ATOM 536 CA GLY A 71 16.021 2.941 -4.472 1.00 0.00 C ATOM 537 C GLY A 71 16.190 4.150 -3.534 1.00 0.00 C ATOM 538 O GLY A 71 17.283 4.399 -3.023 1.00 0.00 O ATOM 0 H GLY A 71 16.134 1.697 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 71 16.850 2.923 -5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.108 3.068 -5.053 1.00 0.00 H new ATOM 539 N ASP A 72 15.107 4.898 -3.308 1.00 0.00 N ATOM 540 CA ASP A 72 15.120 6.113 -2.449 1.00 0.00 C ATOM 541 C ASP A 72 14.696 5.769 -0.977 1.00 0.00 C ATOM 542 O ASP A 72 13.687 5.109 -0.714 1.00 0.00 O ATOM 543 CB ASP A 72 14.184 7.162 -3.104 1.00 0.00 C ATOM 544 CG ASP A 72 14.777 7.917 -4.292 1.00 0.00 C ATOM 545 OD1 ASP A 72 14.948 7.404 -5.393 1.00 0.00 O ATOM 546 OD2 ASP A 72 15.085 9.214 -3.991 1.00 0.00 O ATOM 0 H ASP A 72 14.192 4.690 -3.708 1.00 0.00 H new ATOM 0 HA ASP A 72 16.127 6.523 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.275 6.658 -3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.890 7.887 -2.345 1.00 0.00 H new ATOM 547 N LYS A 73 15.479 6.263 -0.008 1.00 0.00 N ATOM 548 CA LYS A 73 15.303 5.949 1.438 1.00 0.00 C ATOM 549 C LYS A 73 14.087 6.696 2.086 1.00 0.00 C ATOM 550 O LYS A 73 14.093 7.920 2.241 1.00 0.00 O ATOM 551 CB LYS A 73 16.661 6.305 2.112 1.00 0.00 C ATOM 552 CG LYS A 73 16.857 5.849 3.579 1.00 0.00 C ATOM 553 CD LYS A 73 16.929 4.315 3.761 1.00 0.00 C ATOM 554 CE LYS A 73 17.456 3.853 5.131 1.00 0.00 C ATOM 555 NZ LYS A 73 16.496 4.125 6.217 1.00 0.00 N ATOM 0 H LYS A 73 16.258 6.895 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 73 15.057 4.897 1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 73 17.461 5.871 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.785 7.387 2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.774 6.293 3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.036 6.237 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.933 3.898 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.569 3.900 2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.669 2.785 5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.398 4.358 5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.913 3.844 7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.273 5.141 6.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.624 3.582 6.054 1.00 0.00 H new ATOM 556 N SER A 74 13.051 5.946 2.489 1.00 0.00 N ATOM 557 CA SER A 74 11.783 6.538 3.016 1.00 0.00 C ATOM 558 C SER A 74 11.762 7.183 4.446 1.00 0.00 C ATOM 559 O SER A 74 10.784 7.865 4.770 1.00 0.00 O ATOM 560 CB SER A 74 10.722 5.414 2.927 1.00 0.00 C ATOM 561 OG SER A 74 10.533 4.919 1.600 1.00 0.00 O ATOM 0 H SER A 74 13.053 4.926 2.465 1.00 0.00 H new ATOM 0 HA SER A 74 11.599 7.416 2.397 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.020 4.590 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.772 5.790 3.306 1.00 0.00 H new ATOM 0 HG SER A 74 10.182 5.635 1.031 1.00 0.00 H new ATOM 562 N LEU A 75 12.797 7.030 5.293 1.00 0.00 N ATOM 563 CA LEU A 75 12.839 7.649 6.655 1.00 0.00 C ATOM 564 C LEU A 75 13.290 9.157 6.598 1.00 0.00 C ATOM 565 O LEU A 75 14.392 9.534 7.003 1.00 0.00 O ATOM 566 CB LEU A 75 13.747 6.763 7.566 1.00 0.00 C ATOM 567 CG LEU A 75 13.101 5.516 8.230 1.00 0.00 C ATOM 568 CD1 LEU A 75 12.719 4.406 7.237 1.00 0.00 C ATOM 569 CD2 LEU A 75 14.059 4.922 9.276 1.00 0.00 C ATOM 0 H LEU A 75 13.626 6.481 5.067 1.00 0.00 H new ATOM 0 HA LEU A 75 11.839 7.677 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.594 6.425 6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.148 7.396 8.358 1.00 0.00 H new ATOM 0 HG LEU A 75 12.179 5.872 8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.275 3.571 7.778 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.000 4.795 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.611 4.065 6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.598 4.048 9.737 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.990 4.628 8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.269 5.668 10.043 1.00 0.00 H new ATOM 570 N VAL A 76 12.390 10.014 6.089 1.00 0.00 N ATOM 571 CA VAL A 76 12.645 11.481 5.907 1.00 0.00 C ATOM 572 C VAL A 76 11.596 12.318 6.721 1.00 0.00 C ATOM 573 O VAL A 76 11.972 13.093 7.603 1.00 0.00 O ATOM 574 CB VAL A 76 12.726 11.815 4.369 1.00 0.00 C ATOM 575 CG1 VAL A 76 12.851 13.327 4.058 1.00 0.00 C ATOM 576 CG2 VAL A 76 13.916 11.133 3.652 1.00 0.00 C ATOM 0 H VAL A 76 11.460 9.724 5.787 1.00 0.00 H new ATOM 0 HA VAL A 76 13.612 11.767 6.320 1.00 0.00 H new ATOM 0 HB VAL A 76 11.776 11.430 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.901 13.474 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.983 13.853 4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.757 13.720 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.910 11.407 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.851 11.460 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.826 10.051 3.747 1.00 0.00 H new ATOM 577 N GLY A 77 10.295 12.175 6.424 1.00 0.00 N ATOM 578 CA GLY A 77 9.206 12.881 7.165 1.00 0.00 C ATOM 579 C GLY A 77 7.963 12.042 7.535 1.00 0.00 C ATOM 580 O GLY A 77 6.844 12.454 7.230 1.00 0.00 O ATOM 0 H GLY A 77 9.957 11.575 5.672 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.628 13.288 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.878 13.728 6.562 1.00 0.00 H new ATOM 581 N SER A 78 8.154 10.898 8.218 1.00 0.00 N ATOM 582 CA SER A 78 7.060 9.997 8.717 1.00 0.00 C ATOM 583 C SER A 78 5.959 9.604 7.660 1.00 0.00 C ATOM 584 O SER A 78 6.231 8.802 6.764 1.00 0.00 O ATOM 585 CB SER A 78 6.554 10.569 10.076 1.00 0.00 C ATOM 586 OG SER A 78 7.583 10.567 11.068 1.00 0.00 O ATOM 0 H SER A 78 9.086 10.554 8.451 1.00 0.00 H new ATOM 0 HA SER A 78 7.469 9.003 8.899 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.192 11.587 9.930 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.709 9.977 10.428 1.00 0.00 H new ATOM 0 HG SER A 78 7.231 10.934 11.906 1.00 0.00 H new ATOM 587 N ILE A 79 4.740 10.157 7.748 1.00 0.00 N ATOM 588 CA ILE A 79 3.610 9.861 6.803 1.00 0.00 C ATOM 589 C ILE A 79 3.446 10.939 5.664 1.00 0.00 C ATOM 590 O ILE A 79 2.404 11.572 5.462 1.00 0.00 O ATOM 591 CB ILE A 79 2.273 9.608 7.593 1.00 0.00 C ATOM 592 CG1 ILE A 79 1.920 10.556 8.784 1.00 0.00 C ATOM 593 CG2 ILE A 79 2.217 8.156 8.127 1.00 0.00 C ATOM 594 CD1 ILE A 79 1.840 12.052 8.441 1.00 0.00 C ATOM 0 H ILE A 79 4.491 10.828 8.475 1.00 0.00 H new ATOM 0 HA ILE A 79 3.868 8.940 6.280 1.00 0.00 H new ATOM 0 HB ILE A 79 1.529 9.824 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.962 10.245 9.200 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.667 10.420 9.566 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.284 8.004 8.670 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.268 7.459 7.291 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.059 7.982 8.797 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.589 12.618 9.338 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.803 12.389 8.056 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.071 12.211 7.685 1.00 0.00 H new ATOM 595 N THR A 80 4.478 11.048 4.833 1.00 0.00 N ATOM 596 CA THR A 80 4.550 12.002 3.683 1.00 0.00 C ATOM 597 C THR A 80 4.974 11.296 2.356 1.00 0.00 C ATOM 598 O THR A 80 5.679 10.282 2.331 1.00 0.00 O ATOM 599 CB THR A 80 5.528 13.186 3.991 1.00 0.00 C ATOM 600 OG1 THR A 80 6.767 12.740 4.532 1.00 0.00 O ATOM 601 CG2 THR A 80 4.944 14.187 4.990 1.00 0.00 C ATOM 0 H THR A 80 5.315 10.473 4.925 1.00 0.00 H new ATOM 0 HA THR A 80 3.544 12.398 3.546 1.00 0.00 H new ATOM 0 HB THR A 80 5.685 13.665 3.025 1.00 0.00 H new ATOM 0 HG1 THR A 80 6.713 12.732 5.510 1.00 0.00 H new ATOM 0 HG21 THR A 80 5.664 14.986 5.167 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.024 14.610 4.586 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.728 13.679 5.930 1.00 0.00 H new ATOM 602 N ASN A 81 4.569 11.892 1.220 1.00 0.00 N ATOM 603 CA ASN A 81 4.983 11.433 -0.138 1.00 0.00 C ATOM 604 C ASN A 81 6.389 12.037 -0.507 1.00 0.00 C ATOM 605 O ASN A 81 6.522 12.944 -1.333 1.00 0.00 O ATOM 606 CB ASN A 81 3.837 11.850 -1.095 1.00 0.00 C ATOM 607 CG ASN A 81 3.837 11.079 -2.412 1.00 0.00 C ATOM 608 OD1 ASN A 81 3.340 9.964 -2.507 1.00 0.00 O ATOM 609 ND2 ASN A 81 4.409 11.617 -3.456 1.00 0.00 N ATOM 0 H ASN A 81 3.949 12.702 1.206 1.00 0.00 H new ATOM 0 HA ASN A 81 5.122 10.354 -0.204 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.881 11.698 -0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.920 12.916 -1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.439 11.109 -4.340 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.826 12.545 -3.387 1.00 0.00 H new ATOM 610 N THR A 82 7.427 11.499 0.141 1.00 0.00 N ATOM 611 CA THR A 82 8.823 12.025 0.062 1.00 0.00 C ATOM 612 C THR A 82 9.815 11.160 -0.786 1.00 0.00 C ATOM 613 O THR A 82 10.305 11.614 -1.821 1.00 0.00 O ATOM 614 CB THR A 82 9.269 12.311 1.545 1.00 0.00 C ATOM 615 OG1 THR A 82 10.606 12.796 1.561 1.00 0.00 O ATOM 616 CG2 THR A 82 9.234 11.149 2.565 1.00 0.00 C ATOM 0 H THR A 82 7.338 10.680 0.743 1.00 0.00 H new ATOM 0 HA THR A 82 8.846 12.948 -0.517 1.00 0.00 H new ATOM 0 HB THR A 82 8.508 13.021 1.870 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.727 13.398 2.325 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.570 11.508 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.216 10.770 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.892 10.348 2.227 1.00 0.00 H new ATOM 617 N ASN A 83 10.147 9.946 -0.335 1.00 0.00 N ATOM 618 CA ASN A 83 11.168 9.069 -0.972 1.00 0.00 C ATOM 619 C ASN A 83 10.708 7.583 -0.882 1.00 0.00 C ATOM 620 O ASN A 83 10.391 7.106 0.211 1.00 0.00 O ATOM 621 CB ASN A 83 12.519 9.276 -0.220 1.00 0.00 C ATOM 622 CG ASN A 83 13.414 10.392 -0.751 1.00 0.00 C ATOM 623 OD1 ASN A 83 14.267 10.179 -1.607 1.00 0.00 O ATOM 624 ND2 ASN A 83 13.273 11.599 -0.276 1.00 0.00 N ATOM 0 H ASN A 83 9.717 9.529 0.491 1.00 0.00 H new ATOM 0 HA ASN A 83 11.293 9.322 -2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.301 9.479 0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.078 8.341 -0.254 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.869 12.354 -0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.567 11.788 0.436 1.00 0.00 H new ATOM 625 N PHE A 84 10.687 6.832 -1.996 1.00 0.00 N ATOM 626 CA PHE A 84 10.287 5.389 -1.975 1.00 0.00 C ATOM 627 C PHE A 84 11.231 4.509 -2.850 1.00 0.00 C ATOM 628 O PHE A 84 11.711 4.908 -3.916 1.00 0.00 O ATOM 629 CB PHE A 84 8.797 5.219 -2.412 1.00 0.00 C ATOM 630 CG PHE A 84 7.745 5.939 -1.541 1.00 0.00 C ATOM 631 CD1 PHE A 84 7.592 5.598 -0.192 1.00 0.00 C ATOM 632 CD2 PHE A 84 7.042 7.034 -2.053 1.00 0.00 C ATOM 633 CE1 PHE A 84 6.799 6.379 0.646 1.00 0.00 C ATOM 634 CE2 PHE A 84 6.239 7.808 -1.217 1.00 0.00 C ATOM 635 CZ PHE A 84 6.139 7.494 0.138 1.00 0.00 C ATOM 0 H PHE A 84 10.937 7.183 -2.920 1.00 0.00 H new ATOM 0 HA PHE A 84 10.385 5.040 -0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 84 8.697 5.578 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.562 4.155 -2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.091 4.725 0.201 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.122 7.281 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.697 6.119 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.695 8.650 -1.618 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.549 8.117 0.794 1.00 0.00 H new ATOM 636 N GLY A 85 11.476 3.276 -2.384 1.00 0.00 N ATOM 637 CA GLY A 85 12.330 2.307 -3.125 1.00 0.00 C ATOM 638 C GLY A 85 11.629 1.605 -4.303 1.00 0.00 C ATOM 639 O GLY A 85 10.402 1.602 -4.396 1.00 0.00 O ATOM 0 H GLY A 85 11.103 2.918 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.208 2.831 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.686 1.549 -2.427 1.00 0.00 H new ATOM 640 N ILE A 86 12.400 0.989 -5.197 1.00 0.00 N ATOM 641 CA ILE A 86 11.838 0.225 -6.351 1.00 0.00 C ATOM 642 C ILE A 86 11.952 -1.305 -6.035 1.00 0.00 C ATOM 643 O ILE A 86 13.009 -1.812 -5.651 1.00 0.00 O ATOM 644 CB ILE A 86 12.553 0.625 -7.692 1.00 0.00 C ATOM 645 CG1 ILE A 86 12.506 2.144 -8.046 1.00 0.00 C ATOM 646 CG2 ILE A 86 11.947 -0.150 -8.887 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.116 2.727 -8.367 1.00 0.00 C ATOM 0 H ILE A 86 13.419 0.994 -5.160 1.00 0.00 H new ATOM 0 HA ILE A 86 10.785 0.470 -6.492 1.00 0.00 H new ATOM 0 HB ILE A 86 13.597 0.365 -7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 86 12.927 2.703 -7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.156 2.316 -8.904 1.00 0.00 H new ATOM 0 HG21 ILE A 86 12.456 0.142 -9.806 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.072 -1.221 -8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 86 10.885 0.083 -8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.211 3.788 -8.597 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.692 2.206 -9.226 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.460 2.600 -7.506 1.00 0.00 H new ATOM 648 N CYS A 87 10.864 -2.055 -6.248 1.00 0.00 N ATOM 649 CA CYS A 87 10.842 -3.526 -6.073 1.00 0.00 C ATOM 650 C CYS A 87 11.809 -4.311 -7.019 1.00 0.00 C ATOM 651 O CYS A 87 11.705 -4.203 -8.243 1.00 0.00 O ATOM 652 CB CYS A 87 9.379 -3.918 -6.282 1.00 0.00 C ATOM 653 SG CYS A 87 8.355 -3.388 -4.897 1.00 0.00 S ATOM 0 H CYS A 87 9.970 -1.666 -6.547 1.00 0.00 H new ATOM 0 HA CYS A 87 11.214 -3.796 -5.085 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.008 -3.470 -7.204 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.303 -4.999 -6.400 1.00 0.00 H new ATOM 654 N HIS A 88 12.772 -5.064 -6.460 1.00 0.00 N ATOM 655 CA HIS A 88 13.684 -5.932 -7.253 1.00 0.00 C ATOM 656 C HIS A 88 14.009 -7.247 -6.480 1.00 0.00 C ATOM 657 O HIS A 88 14.054 -7.294 -5.249 1.00 0.00 O ATOM 658 CB HIS A 88 14.976 -5.159 -7.606 1.00 0.00 C ATOM 659 CG HIS A 88 14.857 -4.127 -8.727 1.00 0.00 C ATOM 660 ND1 HIS A 88 14.843 -4.475 -10.071 1.00 0.00 N ATOM 661 CD2 HIS A 88 14.669 -2.742 -8.571 1.00 0.00 C ATOM 662 CE1 HIS A 88 14.645 -3.232 -10.618 1.00 0.00 C ATOM 663 NE2 HIS A 88 14.560 -2.136 -9.809 1.00 0.00 N ATOM 0 H HIS A 88 12.946 -5.094 -5.455 1.00 0.00 H new ATOM 0 HA HIS A 88 13.184 -6.210 -8.181 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.328 -4.651 -6.708 1.00 0.00 H new ATOM 0 HB3 HIS A 88 15.743 -5.882 -7.885 1.00 0.00 H new ATOM 0 HD2 HIS A 88 14.617 -2.227 -7.623 1.00 0.00 H new ATOM 0 HE1 HIS A 88 14.556 -3.121 -11.689 1.00 0.00 H new ATOM 0 HE2 HIS A 88 14.448 -1.151 -10.049 1.00 0.00 H new ATOM 664 N ASN A 89 14.342 -8.315 -7.209 1.00 0.00 N ATOM 665 CA ASN A 89 14.570 -9.664 -6.609 1.00 0.00 C ATOM 666 C ASN A 89 16.089 -9.864 -6.277 1.00 0.00 C ATOM 667 O ASN A 89 16.897 -10.386 -7.050 1.00 0.00 O ATOM 668 CB ASN A 89 14.012 -10.668 -7.636 1.00 0.00 C ATOM 669 CG ASN A 89 13.906 -12.118 -7.164 1.00 0.00 C ATOM 670 OD1 ASN A 89 12.890 -12.568 -6.654 1.00 0.00 O ATOM 671 ND2 ASN A 89 14.937 -12.905 -7.321 1.00 0.00 N ATOM 0 H ASN A 89 14.464 -8.287 -8.221 1.00 0.00 H new ATOM 0 HA ASN A 89 14.063 -9.802 -5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.021 -10.332 -7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.645 -10.640 -8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 89 14.886 -13.878 -7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.793 -12.546 -7.745 1.00 0.00 H new ATOM 672 N VAL A 90 16.424 -9.417 -5.070 1.00 0.00 N ATOM 673 CA VAL A 90 17.816 -9.375 -4.533 1.00 0.00 C ATOM 674 C VAL A 90 17.795 -10.106 -3.150 1.00 0.00 C ATOM 675 O VAL A 90 17.632 -9.501 -2.086 1.00 0.00 O ATOM 676 CB VAL A 90 18.340 -7.897 -4.437 1.00 0.00 C ATOM 677 CG1 VAL A 90 19.798 -7.801 -3.926 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.290 -7.091 -5.758 1.00 0.00 C ATOM 0 H VAL A 90 15.733 -9.062 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 90 18.514 -9.882 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 90 17.639 -7.461 -3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.100 -6.755 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 90 19.864 -8.240 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.458 -8.341 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.673 -6.085 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.902 -7.588 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.260 -7.032 -6.109 1.00 0.00 H new ATOM 679 N GLY A 91 17.981 -11.433 -3.193 1.00 0.00 N ATOM 680 CA GLY A 91 18.002 -12.302 -1.970 1.00 0.00 C ATOM 681 C GLY A 91 18.904 -11.920 -0.762 1.00 0.00 C ATOM 682 O GLY A 91 18.479 -12.053 0.387 1.00 0.00 O ATOM 0 H GLY A 91 18.122 -11.948 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.978 -12.369 -1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.293 -13.303 -2.288 1.00 0.00 H new ATOM 683 N ARG A 92 20.130 -11.433 -1.010 1.00 0.00 N ATOM 684 CA ARG A 92 20.983 -10.829 0.052 1.00 0.00 C ATOM 685 C ARG A 92 20.571 -9.331 0.306 1.00 0.00 C ATOM 686 O ARG A 92 21.128 -8.394 -0.275 1.00 0.00 O ATOM 687 CB ARG A 92 22.457 -11.021 -0.401 1.00 0.00 C ATOM 688 CG ARG A 92 23.519 -10.643 0.665 1.00 0.00 C ATOM 689 CD ARG A 92 24.977 -10.822 0.199 1.00 0.00 C ATOM 690 NE ARG A 92 25.358 -9.773 -0.784 1.00 0.00 N ATOM 691 CZ ARG A 92 26.529 -9.697 -1.404 1.00 0.00 C ATOM 692 NH1 ARG A 92 27.510 -10.546 -1.232 1.00 0.00 N ATOM 693 NH2 ARG A 92 26.714 -8.717 -2.232 1.00 0.00 N ATOM 0 H ARG A 92 20.562 -11.441 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 92 20.852 -11.314 1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 92 22.602 -12.063 -0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 92 22.629 -10.420 -1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 92 23.369 -9.604 0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 92 23.357 -11.252 1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 92 25.645 -10.778 1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 92 25.100 -11.807 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 92 24.665 -9.056 -0.998 1.00 0.00 H new ATOM 0 HH11 ARG A 92 27.400 -11.328 -0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 92 28.384 -10.425 -1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 92 25.972 -8.035 -2.389 1.00 0.00 H new ATOM 0 HH22 ARG A 92 27.602 -8.628 -2.726 1.00 0.00 H new ATOM 694 N SER A 93 19.552 -9.113 1.161 1.00 0.00 N ATOM 695 CA SER A 93 18.995 -7.768 1.525 1.00 0.00 C ATOM 696 C SER A 93 18.337 -6.948 0.368 1.00 0.00 C ATOM 697 O SER A 93 17.240 -6.405 0.483 1.00 0.00 O ATOM 698 CB SER A 93 20.047 -6.921 2.288 1.00 0.00 C ATOM 699 OG SER A 93 19.444 -5.780 2.905 1.00 0.00 O ATOM 0 H SER A 93 19.073 -9.878 1.636 1.00 0.00 H new ATOM 0 HA SER A 93 18.156 -8.001 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 93 20.531 -7.535 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 93 20.826 -6.596 1.598 1.00 0.00 H new ATOM 0 HG SER A 93 20.129 -5.265 3.380 1.00 0.00 H new TER 700 SER A 93 HETATM 701 O OH A 94 19.119 -6.835 -0.747 1.00 0.00 O