USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 564 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 35:sc= 0.637 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -68:sc= -6.39! USER MOD Single : A 22 ASN : amide:sc= -0.916 K(o=-0.92,f=-2) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 25 ASN : amide:sc=-0.00506 X(o=-0.0051,f=0) USER MOD Single : A 36 SER OG : rot 44:sc= 0.0241 USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.344) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 141:sc= -0.0999 (180deg=-0.726) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.78 USER MOD Single : A 49 HIS : no HE2:sc= 0.794 K(o=0.79,f=-6.9!) USER MOD Single : A 50 TYR OH : rot 165:sc= -0.792 USER MOD Single : A 54 ASN : amide:sc= -0.244 K(o=-0.24,f=-1.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 63 HIS : no HD1:sc= -0.801 K(o=-0.8,f=-0.046) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.172 1.534 14.012 1.00 0.00 N ATOM 2 CA GLY A 1 20.229 2.252 13.171 1.00 0.00 C ATOM 3 C GLY A 1 19.043 1.362 12.793 1.00 0.00 C ATOM 4 O GLY A 1 18.470 0.688 13.648 1.00 0.00 O ATOM 0 H1 GLY A 1 21.967 2.159 14.254 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.695 1.226 14.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.530 0.702 13.501 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.871 3.138 13.695 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.732 2.597 12.268 1.00 0.00 H new ATOM 8 N SER A 2 18.709 1.388 11.511 1.00 0.00 N ATOM 9 CA SER A 2 17.603 0.593 11.009 1.00 0.00 C ATOM 10 C SER A 2 18.044 -0.199 9.776 1.00 0.00 C ATOM 11 O SER A 2 19.079 0.097 9.182 1.00 0.00 O ATOM 12 CB SER A 2 16.399 1.475 10.670 1.00 0.00 C ATOM 13 OG SER A 2 15.502 1.599 11.770 1.00 0.00 O ATOM 0 H SER A 2 19.186 1.948 10.805 1.00 0.00 H new ATOM 0 HA SER A 2 17.301 -0.103 11.791 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.747 2.464 10.372 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.869 1.053 9.816 1.00 0.00 H new ATOM 0 HG SER A 2 14.748 2.171 11.514 1.00 0.00 H new ATOM 18 N SER A 3 17.237 -1.191 9.429 1.00 0.00 N ATOM 19 CA SER A 3 17.531 -2.027 8.279 1.00 0.00 C ATOM 20 C SER A 3 16.450 -3.099 8.120 1.00 0.00 C ATOM 21 O SER A 3 16.346 -4.007 8.943 1.00 0.00 O ATOM 22 CB SER A 3 18.909 -2.679 8.409 1.00 0.00 C ATOM 23 OG SER A 3 19.000 -3.509 9.564 1.00 0.00 O ATOM 0 H SER A 3 16.379 -1.434 9.925 1.00 0.00 H new ATOM 0 HA SER A 3 17.540 -1.395 7.391 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.114 -3.273 7.519 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.674 -1.904 8.458 1.00 0.00 H new ATOM 0 HG SER A 3 18.135 -3.941 9.725 1.00 0.00 H new ATOM 28 N GLY A 4 15.674 -2.958 7.056 1.00 0.00 N ATOM 29 CA GLY A 4 14.605 -3.902 6.779 1.00 0.00 C ATOM 30 C GLY A 4 14.545 -4.242 5.288 1.00 0.00 C ATOM 31 O GLY A 4 15.462 -3.916 4.537 1.00 0.00 O ATOM 0 H GLY A 4 15.764 -2.204 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.761 -4.813 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.652 -3.481 7.098 1.00 0.00 H new ATOM 35 N SER A 5 13.456 -4.892 4.905 1.00 0.00 N ATOM 36 CA SER A 5 13.265 -5.278 3.518 1.00 0.00 C ATOM 37 C SER A 5 12.655 -4.117 2.730 1.00 0.00 C ATOM 38 O SER A 5 12.308 -3.086 3.305 1.00 0.00 O ATOM 39 CB SER A 5 12.375 -6.518 3.409 1.00 0.00 C ATOM 40 OG SER A 5 13.035 -7.592 2.746 1.00 0.00 O ATOM 0 H SER A 5 12.697 -5.161 5.531 1.00 0.00 H new ATOM 0 HA SER A 5 14.239 -5.524 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.075 -6.838 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.463 -6.264 2.868 1.00 0.00 H new ATOM 0 HG SER A 5 12.435 -8.365 2.698 1.00 0.00 H new ATOM 45 N SER A 6 12.542 -4.323 1.426 1.00 0.00 N ATOM 46 CA SER A 6 11.980 -3.305 0.554 1.00 0.00 C ATOM 47 C SER A 6 10.563 -3.700 0.136 1.00 0.00 C ATOM 48 O SER A 6 9.604 -2.987 0.430 1.00 0.00 O ATOM 49 CB SER A 6 12.858 -3.093 -0.681 1.00 0.00 C ATOM 50 OG SER A 6 13.933 -2.193 -0.424 1.00 0.00 O ATOM 0 H SER A 6 12.830 -5.179 0.952 1.00 0.00 H new ATOM 0 HA SER A 6 11.941 -2.365 1.105 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.259 -4.052 -1.010 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.248 -2.706 -1.497 1.00 0.00 H new ATOM 0 HG SER A 6 14.471 -2.085 -1.236 1.00 0.00 H new ATOM 55 N GLY A 7 10.474 -4.833 -0.545 1.00 0.00 N ATOM 56 CA GLY A 7 9.189 -5.331 -1.006 1.00 0.00 C ATOM 57 C GLY A 7 9.275 -6.813 -1.374 1.00 0.00 C ATOM 58 O GLY A 7 8.801 -7.222 -2.433 1.00 0.00 O ATOM 0 H GLY A 7 11.271 -5.421 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.439 -5.189 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.862 -4.756 -1.872 1.00 0.00 H new ATOM 62 N GLY A 8 9.885 -7.578 -0.480 1.00 0.00 N ATOM 63 CA GLY A 8 10.039 -9.006 -0.699 1.00 0.00 C ATOM 64 C GLY A 8 8.799 -9.595 -1.374 1.00 0.00 C ATOM 65 O GLY A 8 8.788 -9.801 -2.586 1.00 0.00 O ATOM 0 H GLY A 8 10.278 -7.236 0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.917 -9.190 -1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.211 -9.507 0.254 1.00 0.00 H new ATOM 69 N GLU A 9 7.785 -9.850 -0.561 1.00 0.00 N ATOM 70 CA GLU A 9 6.544 -10.411 -1.065 1.00 0.00 C ATOM 71 C GLU A 9 5.345 -9.668 -0.469 1.00 0.00 C ATOM 72 O GLU A 9 5.255 -9.504 0.746 1.00 0.00 O ATOM 73 CB GLU A 9 6.461 -11.910 -0.771 1.00 0.00 C ATOM 74 CG GLU A 9 5.965 -12.164 0.654 1.00 0.00 C ATOM 75 CD GLU A 9 6.482 -13.503 1.185 1.00 0.00 C ATOM 76 OE1 GLU A 9 7.707 -13.724 1.069 1.00 0.00 O ATOM 77 OE2 GLU A 9 5.640 -14.274 1.692 1.00 0.00 O ATOM 0 H GLU A 9 7.798 -9.678 0.444 1.00 0.00 H new ATOM 0 HA GLU A 9 6.524 -10.285 -2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.789 -12.387 -1.484 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.442 -12.365 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.297 -11.357 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.875 -12.159 0.670 1.00 0.00 H new ATOM 82 N ILE A 10 4.456 -9.239 -1.353 1.00 0.00 N ATOM 83 CA ILE A 10 3.269 -8.519 -0.931 1.00 0.00 C ATOM 84 C ILE A 10 2.367 -9.458 -0.127 1.00 0.00 C ATOM 85 O ILE A 10 1.831 -10.423 -0.668 1.00 0.00 O ATOM 86 CB ILE A 10 2.573 -7.880 -2.134 1.00 0.00 C ATOM 87 CG1 ILE A 10 3.357 -6.666 -2.639 1.00 0.00 C ATOM 88 CG2 ILE A 10 1.121 -7.527 -1.805 1.00 0.00 C ATOM 89 CD1 ILE A 10 3.082 -5.435 -1.773 1.00 0.00 C ATOM 0 H ILE A 10 4.535 -9.377 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 10 3.539 -7.693 -0.273 1.00 0.00 H new ATOM 0 HB ILE A 10 2.551 -8.610 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.424 -6.889 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.083 -6.456 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.650 -7.074 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.580 -8.432 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.097 -6.823 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.652 -4.587 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.018 -5.200 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.380 -5.640 -0.745 1.00 0.00 H new ATOM 100 N ILE A 11 2.227 -9.140 1.152 1.00 0.00 N ATOM 101 CA ILE A 11 1.399 -9.943 2.036 1.00 0.00 C ATOM 102 C ILE A 11 0.218 -9.103 2.525 1.00 0.00 C ATOM 103 O ILE A 11 0.181 -7.893 2.310 1.00 0.00 O ATOM 104 CB ILE A 11 2.242 -10.537 3.167 1.00 0.00 C ATOM 105 CG1 ILE A 11 2.676 -9.452 4.154 1.00 0.00 C ATOM 106 CG2 ILE A 11 3.435 -11.317 2.611 1.00 0.00 C ATOM 107 CD1 ILE A 11 1.582 -9.182 5.189 1.00 0.00 C ATOM 0 H ILE A 11 2.673 -8.338 1.597 1.00 0.00 H new ATOM 0 HA ILE A 11 0.983 -10.795 1.498 1.00 0.00 H new ATOM 0 HB ILE A 11 1.624 -11.246 3.718 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.591 -9.760 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.904 -8.534 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.017 -11.728 3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.076 -12.130 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.063 -10.649 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.917 -8.407 5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.676 -8.851 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.373 -10.096 5.745 1.00 0.00 H new ATOM 118 N GLU A 12 -0.719 -9.779 3.175 1.00 0.00 N ATOM 119 CA GLU A 12 -1.899 -9.108 3.696 1.00 0.00 C ATOM 120 C GLU A 12 -1.534 -8.272 4.924 1.00 0.00 C ATOM 121 O GLU A 12 -0.995 -8.796 5.898 1.00 0.00 O ATOM 122 CB GLU A 12 -3.000 -10.118 4.027 1.00 0.00 C ATOM 123 CG GLU A 12 -3.405 -10.913 2.784 1.00 0.00 C ATOM 124 CD GLU A 12 -4.370 -12.044 3.148 1.00 0.00 C ATOM 125 OE1 GLU A 12 -4.031 -12.800 4.083 1.00 0.00 O ATOM 126 OE2 GLU A 12 -5.425 -12.125 2.482 1.00 0.00 O ATOM 0 H GLU A 12 -0.685 -10.783 3.353 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.284 -8.439 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.652 -10.800 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.869 -9.596 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.875 -10.248 2.059 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.517 -11.327 2.307 1.00 0.00 H new ATOM 131 N GLY A 13 -1.843 -6.987 4.838 1.00 0.00 N ATOM 132 CA GLY A 13 -1.556 -6.074 5.931 1.00 0.00 C ATOM 133 C GLY A 13 -0.604 -4.963 5.481 1.00 0.00 C ATOM 134 O GLY A 13 -0.624 -3.863 6.031 1.00 0.00 O ATOM 0 H GLY A 13 -2.289 -6.556 4.028 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.485 -5.636 6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.113 -6.623 6.762 1.00 0.00 H new ATOM 138 N CYS A 14 0.206 -5.290 4.485 1.00 0.00 N ATOM 139 CA CYS A 14 1.163 -4.334 3.955 1.00 0.00 C ATOM 140 C CYS A 14 0.414 -3.046 3.609 1.00 0.00 C ATOM 141 O CYS A 14 -0.685 -3.091 3.060 1.00 0.00 O ATOM 142 CB CYS A 14 1.917 -4.898 2.748 1.00 0.00 C ATOM 143 SG CYS A 14 3.275 -5.987 3.312 1.00 0.00 S ATOM 0 H CYS A 14 0.219 -6.203 4.031 1.00 0.00 H new ATOM 0 HA CYS A 14 1.922 -4.121 4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.233 -5.457 2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.319 -4.083 2.147 1.00 0.00 H new ATOM 0 HG CYS A 14 4.189 -5.272 3.898 1.00 0.00 H new ATOM 148 N ARG A 15 1.040 -1.926 3.943 1.00 0.00 N ATOM 149 CA ARG A 15 0.446 -0.628 3.675 1.00 0.00 C ATOM 150 C ARG A 15 1.305 0.153 2.677 1.00 0.00 C ATOM 151 O ARG A 15 2.482 0.407 2.931 1.00 0.00 O ATOM 152 CB ARG A 15 0.302 0.188 4.961 1.00 0.00 C ATOM 153 CG ARG A 15 -1.163 0.286 5.388 1.00 0.00 C ATOM 154 CD ARG A 15 -1.297 1.011 6.729 1.00 0.00 C ATOM 155 NE ARG A 15 -1.111 0.054 7.843 1.00 0.00 N ATOM 156 CZ ARG A 15 0.076 -0.233 8.394 1.00 0.00 C ATOM 157 NH1 ARG A 15 1.188 0.360 7.940 1.00 0.00 N ATOM 158 NH2 ARG A 15 0.150 -1.115 9.402 1.00 0.00 N ATOM 0 H ARG A 15 1.953 -1.892 4.397 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.545 -0.797 3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.886 -0.275 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.707 1.188 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.733 0.817 4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.590 -0.714 5.467 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.557 1.808 6.796 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.278 1.480 6.802 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.937 -0.416 8.214 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.132 1.031 7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.091 0.141 8.360 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.697 -1.566 9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.053 -1.334 9.822 1.00 0.00 H new ATOM 169 N LEU A 16 0.683 0.510 1.563 1.00 0.00 N ATOM 170 CA LEU A 16 1.375 1.255 0.526 1.00 0.00 C ATOM 171 C LEU A 16 0.384 2.186 -0.175 1.00 0.00 C ATOM 172 O LEU A 16 -0.818 1.924 -0.187 1.00 0.00 O ATOM 173 CB LEU A 16 2.102 0.303 -0.425 1.00 0.00 C ATOM 174 CG LEU A 16 1.567 -1.130 -0.477 1.00 0.00 C ATOM 175 CD1 LEU A 16 0.038 -1.145 -0.444 1.00 0.00 C ATOM 176 CD2 LEU A 16 2.122 -1.878 -1.691 1.00 0.00 C ATOM 0 H LEU A 16 -0.293 0.297 1.356 1.00 0.00 H new ATOM 0 HA LEU A 16 2.150 1.884 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.060 0.722 -1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.153 0.267 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 16 1.913 -1.657 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.317 -2.175 -0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.311 -0.675 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.350 -0.596 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.727 -2.894 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.826 -1.361 -2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.210 -1.913 -1.631 1.00 0.00 H new ATOM 187 N PRO A 17 0.938 3.283 -0.758 1.00 0.00 N ATOM 188 CA PRO A 17 0.116 4.254 -1.459 1.00 0.00 C ATOM 189 C PRO A 17 -0.330 3.714 -2.819 1.00 0.00 C ATOM 190 O PRO A 17 0.475 3.610 -3.745 1.00 0.00 O ATOM 191 CB PRO A 17 0.983 5.497 -1.569 1.00 0.00 C ATOM 192 CG PRO A 17 2.412 5.031 -1.342 1.00 0.00 C ATOM 193 CD PRO A 17 2.357 3.627 -0.764 1.00 0.00 C ATOM 0 HA PRO A 17 -0.812 4.477 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.875 5.963 -2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.693 6.242 -0.828 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.969 5.037 -2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.930 5.705 -0.659 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.932 2.927 -1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.776 3.596 0.242 1.00 0.00 H new ATOM 198 N VAL A 18 -1.611 3.385 -2.900 1.00 0.00 N ATOM 199 CA VAL A 18 -2.173 2.858 -4.131 1.00 0.00 C ATOM 200 C VAL A 18 -2.705 4.015 -4.979 1.00 0.00 C ATOM 201 O VAL A 18 -3.691 4.654 -4.614 1.00 0.00 O ATOM 202 CB VAL A 18 -3.240 1.809 -3.813 1.00 0.00 C ATOM 203 CG1 VAL A 18 -4.042 1.445 -5.064 1.00 0.00 C ATOM 204 CG2 VAL A 18 -2.615 0.564 -3.181 1.00 0.00 C ATOM 0 H VAL A 18 -2.276 3.474 -2.132 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.405 2.352 -4.716 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.929 2.242 -3.088 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.793 0.698 -4.810 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.534 2.336 -5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.371 1.041 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.396 -0.165 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.893 0.129 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.110 0.840 -2.255 1.00 0.00 H new ATOM 214 N LEU A 19 -2.030 4.249 -6.095 1.00 0.00 N ATOM 215 CA LEU A 19 -2.423 5.317 -6.997 1.00 0.00 C ATOM 216 C LEU A 19 -3.944 5.309 -7.160 1.00 0.00 C ATOM 217 O LEU A 19 -4.563 4.246 -7.182 1.00 0.00 O ATOM 218 CB LEU A 19 -1.663 5.208 -8.320 1.00 0.00 C ATOM 219 CG LEU A 19 -2.138 6.131 -9.445 1.00 0.00 C ATOM 220 CD1 LEU A 19 -1.383 7.462 -9.418 1.00 0.00 C ATOM 221 CD2 LEU A 19 -2.028 5.438 -10.806 1.00 0.00 C ATOM 0 H LEU A 19 -1.213 3.717 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.152 6.286 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.610 5.413 -8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.729 4.178 -8.670 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.192 6.355 -9.281 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.740 8.099 -10.227 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.555 7.958 -8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.316 7.278 -9.544 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.372 6.115 -11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.989 5.166 -10.993 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.645 4.539 -10.808 1.00 0.00 H new ATOM 232 N ARG A 20 -4.503 6.505 -7.269 1.00 0.00 N ATOM 233 CA ARG A 20 -5.940 6.648 -7.428 1.00 0.00 C ATOM 234 C ARG A 20 -6.269 7.980 -8.106 1.00 0.00 C ATOM 235 O ARG A 20 -6.170 9.037 -7.484 1.00 0.00 O ATOM 236 CB ARG A 20 -6.654 6.581 -6.077 1.00 0.00 C ATOM 237 CG ARG A 20 -8.171 6.523 -6.261 1.00 0.00 C ATOM 238 CD ARG A 20 -8.879 7.465 -5.283 1.00 0.00 C ATOM 239 NE ARG A 20 -10.132 7.971 -5.887 1.00 0.00 N ATOM 240 CZ ARG A 20 -11.169 8.442 -5.180 1.00 0.00 C ATOM 241 NH1 ARG A 20 -11.108 8.473 -3.841 1.00 0.00 N ATOM 242 NH2 ARG A 20 -12.266 8.880 -5.812 1.00 0.00 N ATOM 0 H ARG A 20 -3.986 7.384 -7.250 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.288 5.824 -8.050 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.317 5.702 -5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.390 7.453 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.427 6.796 -7.285 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.521 5.502 -6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.100 6.940 -4.354 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.225 8.299 -5.030 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.211 7.961 -6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.273 8.138 -3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.897 8.831 -3.303 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.312 8.855 -6.831 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.055 9.238 -5.275 1.00 0.00 H new ATOM 253 N ARG A 21 -6.652 7.886 -9.370 1.00 0.00 N ATOM 254 CA ARG A 21 -6.996 9.070 -10.138 1.00 0.00 C ATOM 255 C ARG A 21 -8.470 9.426 -9.936 1.00 0.00 C ATOM 256 O ARG A 21 -9.351 8.787 -10.510 1.00 0.00 O ATOM 257 CB ARG A 21 -6.731 8.856 -11.630 1.00 0.00 C ATOM 258 CG ARG A 21 -5.244 9.022 -11.952 1.00 0.00 C ATOM 259 CD ARG A 21 -5.037 9.348 -13.433 1.00 0.00 C ATOM 260 NE ARG A 21 -3.670 8.963 -13.850 1.00 0.00 N ATOM 261 CZ ARG A 21 -3.294 8.792 -15.125 1.00 0.00 C ATOM 262 NH1 ARG A 21 -4.179 8.970 -16.114 1.00 0.00 N ATOM 263 NH2 ARG A 21 -2.033 8.442 -15.409 1.00 0.00 N ATOM 0 H ARG A 21 -6.732 7.008 -9.882 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.369 9.888 -9.782 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.061 7.859 -11.922 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.315 9.569 -12.213 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.822 9.818 -11.338 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.709 8.107 -11.699 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.773 8.818 -14.037 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.192 10.413 -13.604 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.971 8.819 -13.122 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.140 9.236 -15.897 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.893 8.840 -17.084 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.359 8.306 -14.655 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.746 8.312 -16.379 1.00 0.00 H new ATOM 274 N ASN A 22 -8.693 10.443 -9.117 1.00 0.00 N ATOM 275 CA ASN A 22 -10.046 10.891 -8.831 1.00 0.00 C ATOM 276 C ASN A 22 -10.663 11.477 -10.102 1.00 0.00 C ATOM 277 O ASN A 22 -10.016 11.522 -11.147 1.00 0.00 O ATOM 278 CB ASN A 22 -10.050 11.980 -7.757 1.00 0.00 C ATOM 279 CG ASN A 22 -9.194 11.570 -6.557 1.00 0.00 C ATOM 280 OD1 ASN A 22 -9.650 10.922 -5.629 1.00 0.00 O ATOM 281 ND2 ASN A 22 -7.932 11.983 -6.626 1.00 0.00 N ATOM 0 H ASN A 22 -7.960 10.970 -8.642 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.618 10.034 -8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.671 12.912 -8.177 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.072 12.170 -7.431 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.281 11.761 -5.873 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.615 12.522 -7.432 1.00 0.00 H new ATOM 287 N GLN A 23 -11.908 11.912 -9.970 1.00 0.00 N ATOM 288 CA GLN A 23 -12.620 12.494 -11.095 1.00 0.00 C ATOM 289 C GLN A 23 -11.773 13.586 -11.752 1.00 0.00 C ATOM 290 O GLN A 23 -11.630 13.614 -12.974 1.00 0.00 O ATOM 291 CB GLN A 23 -13.980 13.044 -10.659 1.00 0.00 C ATOM 292 CG GLN A 23 -15.113 12.117 -11.099 1.00 0.00 C ATOM 293 CD GLN A 23 -16.412 12.448 -10.361 1.00 0.00 C ATOM 294 OE1 GLN A 23 -16.566 13.502 -9.766 1.00 0.00 O ATOM 295 NE2 GLN A 23 -17.334 11.493 -10.431 1.00 0.00 N ATOM 0 H GLN A 23 -12.441 11.873 -9.101 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.801 11.709 -11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.999 13.159 -9.575 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.129 14.035 -11.087 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.267 12.211 -12.174 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -14.835 11.081 -10.906 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -17.141 10.634 -10.946 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -18.235 11.619 -9.970 1.00 0.00 H new ATOM 302 N ASP A 24 -11.234 14.458 -10.914 1.00 0.00 N ATOM 303 CA ASP A 24 -10.405 15.548 -11.398 1.00 0.00 C ATOM 304 C ASP A 24 -9.272 14.980 -12.255 1.00 0.00 C ATOM 305 O ASP A 24 -8.752 15.664 -13.135 1.00 0.00 O ATOM 306 CB ASP A 24 -9.777 16.321 -10.236 1.00 0.00 C ATOM 307 CG ASP A 24 -10.681 17.381 -9.601 1.00 0.00 C ATOM 308 OD1 ASP A 24 -11.251 18.178 -10.376 1.00 0.00 O ATOM 309 OD2 ASP A 24 -10.780 17.368 -8.354 1.00 0.00 O ATOM 0 H ASP A 24 -11.355 14.432 -9.902 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.037 16.220 -11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.479 15.610 -9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.868 16.806 -10.591 1.00 0.00 H new ATOM 313 N ASN A 25 -8.923 13.735 -11.967 1.00 0.00 N ATOM 314 CA ASN A 25 -7.861 13.067 -12.700 1.00 0.00 C ATOM 315 C ASN A 25 -6.508 13.496 -12.133 1.00 0.00 C ATOM 316 O ASN A 25 -5.573 13.769 -12.884 1.00 0.00 O ATOM 317 CB ASN A 25 -7.894 13.445 -14.183 1.00 0.00 C ATOM 318 CG ASN A 25 -7.312 12.324 -15.047 1.00 0.00 C ATOM 319 OD1 ASN A 25 -7.972 11.351 -15.374 1.00 0.00 O ATOM 320 ND2 ASN A 25 -6.044 12.515 -15.399 1.00 0.00 N ATOM 0 H ASN A 25 -9.357 13.171 -11.236 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.006 11.991 -12.598 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.921 13.648 -14.488 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.327 14.363 -14.341 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.566 11.824 -15.977 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.550 13.352 -15.091 1.00 0.00 H new ATOM 326 N GLU A 26 -6.444 13.542 -10.810 1.00 0.00 N ATOM 327 CA GLU A 26 -5.220 13.933 -10.132 1.00 0.00 C ATOM 328 C GLU A 26 -4.542 12.710 -9.512 1.00 0.00 C ATOM 329 O GLU A 26 -4.945 12.246 -8.446 1.00 0.00 O ATOM 330 CB GLU A 26 -5.497 15.003 -9.074 1.00 0.00 C ATOM 331 CG GLU A 26 -6.063 16.273 -9.712 1.00 0.00 C ATOM 332 CD GLU A 26 -6.007 17.449 -8.735 1.00 0.00 C ATOM 333 OE1 GLU A 26 -4.897 17.708 -8.222 1.00 0.00 O ATOM 334 OE2 GLU A 26 -7.076 18.061 -8.522 1.00 0.00 O ATOM 0 H GLU A 26 -7.221 13.315 -10.189 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.542 14.365 -10.868 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.202 14.617 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.576 15.239 -8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.497 16.516 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.094 16.101 -10.021 1.00 0.00 H new ATOM 339 N ASP A 27 -3.524 12.223 -10.205 1.00 0.00 N ATOM 340 CA ASP A 27 -2.786 11.062 -9.736 1.00 0.00 C ATOM 341 C ASP A 27 -2.511 11.209 -8.238 1.00 0.00 C ATOM 342 O ASP A 27 -1.599 11.930 -7.839 1.00 0.00 O ATOM 343 CB ASP A 27 -1.440 10.937 -10.454 1.00 0.00 C ATOM 344 CG ASP A 27 -0.417 12.019 -10.102 1.00 0.00 C ATOM 345 OD1 ASP A 27 -0.697 13.192 -10.431 1.00 0.00 O ATOM 346 OD2 ASP A 27 0.620 11.649 -9.512 1.00 0.00 O ATOM 0 H ASP A 27 -3.192 12.611 -11.088 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.387 10.176 -9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.010 9.963 -10.222 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.615 10.960 -11.530 1.00 0.00 H new ATOM 350 N GLU A 28 -3.317 10.513 -7.450 1.00 0.00 N ATOM 351 CA GLU A 28 -3.173 10.556 -6.005 1.00 0.00 C ATOM 352 C GLU A 28 -2.366 9.352 -5.515 1.00 0.00 C ATOM 353 O GLU A 28 -2.074 8.441 -6.288 1.00 0.00 O ATOM 354 CB GLU A 28 -4.539 10.619 -5.320 1.00 0.00 C ATOM 355 CG GLU A 28 -4.401 11.065 -3.862 1.00 0.00 C ATOM 356 CD GLU A 28 -5.597 11.920 -3.435 1.00 0.00 C ATOM 357 OE1 GLU A 28 -6.709 11.352 -3.380 1.00 0.00 O ATOM 358 OE2 GLU A 28 -5.371 13.121 -3.175 1.00 0.00 O ATOM 0 H GLU A 28 -4.073 9.916 -7.785 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.629 11.463 -5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.187 11.312 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.016 9.640 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.325 10.190 -3.216 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.480 11.634 -3.738 1.00 0.00 H new ATOM 363 N TRP A 29 -2.031 9.386 -4.234 1.00 0.00 N ATOM 364 CA TRP A 29 -1.265 8.308 -3.632 1.00 0.00 C ATOM 365 C TRP A 29 -1.710 8.169 -2.175 1.00 0.00 C ATOM 366 O TRP A 29 -0.924 8.399 -1.257 1.00 0.00 O ATOM 367 CB TRP A 29 0.237 8.557 -3.778 1.00 0.00 C ATOM 368 CG TRP A 29 0.745 8.479 -5.219 1.00 0.00 C ATOM 369 CD1 TRP A 29 0.920 9.484 -6.086 1.00 0.00 C ATOM 370 CD2 TRP A 29 1.137 7.286 -5.928 1.00 0.00 C ATOM 371 NE1 TRP A 29 1.395 9.028 -7.299 1.00 0.00 N ATOM 372 CE2 TRP A 29 1.532 7.648 -7.201 1.00 0.00 C ATOM 373 CE3 TRP A 29 1.160 5.944 -5.510 1.00 0.00 C ATOM 374 CZ2 TRP A 29 1.976 6.729 -8.157 1.00 0.00 C ATOM 375 CZ3 TRP A 29 1.607 5.036 -6.478 1.00 0.00 C ATOM 376 CH2 TRP A 29 2.007 5.386 -7.762 1.00 0.00 C ATOM 0 H TRP A 29 -2.276 10.143 -3.596 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.455 7.365 -4.145 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.472 9.542 -3.374 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.776 7.827 -3.174 1.00 0.00 H new ATOM 0 HD1 TRP A 29 0.715 10.521 -5.864 1.00 0.00 H new ATOM 0 HE1 TRP A 29 1.607 9.599 -8.117 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.857 5.637 -4.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.279 7.038 -9.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.643 3.991 -6.208 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.340 4.625 -8.452 1.00 0.00 H new ATOM 386 N PRO A 30 -3.002 7.783 -2.003 1.00 0.00 N ATOM 387 CA PRO A 30 -3.561 7.610 -0.673 1.00 0.00 C ATOM 388 C PRO A 30 -3.054 6.318 -0.029 1.00 0.00 C ATOM 389 O PRO A 30 -2.702 5.369 -0.727 1.00 0.00 O ATOM 390 CB PRO A 30 -5.068 7.620 -0.875 1.00 0.00 C ATOM 391 CG PRO A 30 -5.293 7.333 -2.350 1.00 0.00 C ATOM 392 CD PRO A 30 -3.963 7.502 -3.066 1.00 0.00 C ATOM 0 HA PRO A 30 -3.259 8.399 0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.550 6.866 -0.253 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.493 8.584 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.675 6.322 -2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.038 8.014 -2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.692 6.601 -3.616 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.003 8.317 -3.789 1.00 0.00 H new ATOM 397 N LEU A 31 -3.032 6.324 1.296 1.00 0.00 N ATOM 398 CA LEU A 31 -2.574 5.164 2.042 1.00 0.00 C ATOM 399 C LEU A 31 -3.582 4.026 1.878 1.00 0.00 C ATOM 400 O LEU A 31 -4.778 4.214 2.098 1.00 0.00 O ATOM 401 CB LEU A 31 -2.301 5.539 3.500 1.00 0.00 C ATOM 402 CG LEU A 31 -1.234 4.710 4.218 1.00 0.00 C ATOM 403 CD1 LEU A 31 -1.707 3.269 4.425 1.00 0.00 C ATOM 404 CD2 LEU A 31 0.101 4.774 3.475 1.00 0.00 C ATOM 0 H LEU A 31 -3.324 7.114 1.872 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.624 4.807 1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.003 6.587 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.234 5.454 4.057 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.073 5.141 5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.930 2.701 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.615 3.267 5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.913 2.811 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.842 4.177 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.025 4.382 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.439 5.809 3.423 1.00 0.00 H new ATOM 415 N ALA A 32 -3.063 2.869 1.493 1.00 0.00 N ATOM 416 CA ALA A 32 -3.903 1.700 1.297 1.00 0.00 C ATOM 417 C ALA A 32 -3.259 0.494 1.982 1.00 0.00 C ATOM 418 O ALA A 32 -2.035 0.387 2.039 1.00 0.00 O ATOM 419 CB ALA A 32 -4.121 1.473 -0.200 1.00 0.00 C ATOM 0 H ALA A 32 -2.071 2.716 1.312 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.883 1.851 1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.751 0.596 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.608 2.347 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.159 1.315 -0.688 1.00 0.00 H new ATOM 425 N GLU A 33 -4.113 -0.386 2.486 1.00 0.00 N ATOM 426 CA GLU A 33 -3.642 -1.580 3.166 1.00 0.00 C ATOM 427 C GLU A 33 -4.034 -2.830 2.374 1.00 0.00 C ATOM 428 O GLU A 33 -5.153 -2.928 1.876 1.00 0.00 O ATOM 429 CB GLU A 33 -4.182 -1.646 4.596 1.00 0.00 C ATOM 430 CG GLU A 33 -3.496 -2.760 5.391 1.00 0.00 C ATOM 431 CD GLU A 33 -4.456 -3.378 6.408 1.00 0.00 C ATOM 432 OE1 GLU A 33 -5.262 -4.233 5.982 1.00 0.00 O ATOM 433 OE2 GLU A 33 -4.361 -2.983 7.591 1.00 0.00 O ATOM 0 H GLU A 33 -5.128 -0.295 2.437 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.554 -1.536 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.023 -0.689 5.093 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.258 -1.819 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.138 -3.531 4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.623 -2.359 5.906 1.00 0.00 H new ATOM 438 N ILE A 34 -3.089 -3.754 2.284 1.00 0.00 N ATOM 439 CA ILE A 34 -3.321 -4.993 1.562 1.00 0.00 C ATOM 440 C ILE A 34 -4.294 -5.868 2.357 1.00 0.00 C ATOM 441 O ILE A 34 -4.136 -6.039 3.564 1.00 0.00 O ATOM 442 CB ILE A 34 -1.993 -5.685 1.244 1.00 0.00 C ATOM 443 CG1 ILE A 34 -1.063 -4.751 0.467 1.00 0.00 C ATOM 444 CG2 ILE A 34 -2.225 -7.005 0.507 1.00 0.00 C ATOM 445 CD1 ILE A 34 -1.396 -4.761 -1.025 1.00 0.00 C ATOM 0 H ILE A 34 -2.161 -3.669 2.699 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.788 -4.790 0.598 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.498 -5.925 2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.153 -3.737 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.028 -5.058 0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.265 -7.476 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.824 -7.669 1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.751 -6.812 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.720 -4.089 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.282 -5.772 -1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.424 -4.430 -1.171 1.00 0.00 H new ATOM 456 N LEU A 35 -5.279 -6.397 1.646 1.00 0.00 N ATOM 457 CA LEU A 35 -6.277 -7.249 2.270 1.00 0.00 C ATOM 458 C LEU A 35 -6.128 -8.676 1.738 1.00 0.00 C ATOM 459 O LEU A 35 -5.931 -9.612 2.510 1.00 0.00 O ATOM 460 CB LEU A 35 -7.678 -6.663 2.075 1.00 0.00 C ATOM 461 CG LEU A 35 -7.841 -5.184 2.429 1.00 0.00 C ATOM 462 CD1 LEU A 35 -9.237 -4.682 2.054 1.00 0.00 C ATOM 463 CD2 LEU A 35 -7.519 -4.935 3.904 1.00 0.00 C ATOM 0 H LEU A 35 -5.407 -6.252 0.645 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.121 -7.293 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.966 -6.801 1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.379 -7.240 2.678 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.124 -4.610 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.327 -3.628 2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.392 -4.804 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.988 -5.256 2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.643 -3.876 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.195 -5.520 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.490 -5.231 4.107 1.00 0.00 H new ATOM 474 N SER A 36 -6.227 -8.797 0.422 1.00 0.00 N ATOM 475 CA SER A 36 -6.105 -10.093 -0.222 1.00 0.00 C ATOM 476 C SER A 36 -5.404 -9.943 -1.573 1.00 0.00 C ATOM 477 O SER A 36 -5.596 -8.947 -2.268 1.00 0.00 O ATOM 478 CB SER A 36 -7.477 -10.748 -0.405 1.00 0.00 C ATOM 479 OG SER A 36 -7.455 -12.133 -0.075 1.00 0.00 O ATOM 0 H SER A 36 -6.390 -8.018 -0.216 1.00 0.00 H new ATOM 0 HA SER A 36 -5.506 -10.739 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.209 -10.238 0.221 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.802 -10.627 -1.438 1.00 0.00 H new ATOM 0 HG SER A 36 -6.958 -12.263 0.760 1.00 0.00 H new ATOM 484 N VAL A 37 -4.606 -10.947 -1.904 1.00 0.00 N ATOM 485 CA VAL A 37 -3.875 -10.940 -3.160 1.00 0.00 C ATOM 486 C VAL A 37 -4.497 -11.962 -4.114 1.00 0.00 C ATOM 487 O VAL A 37 -5.324 -12.775 -3.704 1.00 0.00 O ATOM 488 CB VAL A 37 -2.388 -11.191 -2.901 1.00 0.00 C ATOM 489 CG1 VAL A 37 -1.599 -11.204 -4.211 1.00 0.00 C ATOM 490 CG2 VAL A 37 -1.819 -10.156 -1.928 1.00 0.00 C ATOM 0 H VAL A 37 -4.449 -11.771 -1.324 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.948 -9.963 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.289 -12.174 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.545 -11.384 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.980 -11.995 -4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.709 -10.242 -4.712 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.761 -10.357 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.937 -9.158 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.354 -10.215 -0.980 1.00 0.00 H new ATOM 500 N LYS A 38 -4.075 -11.886 -5.367 1.00 0.00 N ATOM 501 CA LYS A 38 -4.581 -12.794 -6.383 1.00 0.00 C ATOM 502 C LYS A 38 -3.594 -12.847 -7.551 1.00 0.00 C ATOM 503 O LYS A 38 -2.554 -12.190 -7.520 1.00 0.00 O ATOM 504 CB LYS A 38 -6.001 -12.402 -6.794 1.00 0.00 C ATOM 505 CG LYS A 38 -6.876 -13.640 -6.995 1.00 0.00 C ATOM 506 CD LYS A 38 -7.377 -13.729 -8.438 1.00 0.00 C ATOM 507 CE LYS A 38 -8.831 -13.262 -8.543 1.00 0.00 C ATOM 508 NZ LYS A 38 -8.991 -11.924 -7.931 1.00 0.00 N ATOM 0 H LYS A 38 -3.389 -11.210 -5.702 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.658 -13.806 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.441 -11.762 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.969 -11.821 -7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.307 -14.536 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.725 -13.604 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.747 -13.117 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.295 -14.756 -8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.134 -13.228 -9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.486 -13.977 -8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.840 -11.464 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.091 -12.023 -6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.155 -11.343 -8.144 1.00 0.00 H new ATOM 518 N ASP A 39 -3.954 -13.635 -8.554 1.00 0.00 N ATOM 519 CA ASP A 39 -3.114 -13.780 -9.730 1.00 0.00 C ATOM 520 C ASP A 39 -3.970 -14.246 -10.909 1.00 0.00 C ATOM 521 O ASP A 39 -4.557 -15.326 -10.867 1.00 0.00 O ATOM 522 CB ASP A 39 -2.021 -14.826 -9.498 1.00 0.00 C ATOM 523 CG ASP A 39 -1.494 -15.503 -10.765 1.00 0.00 C ATOM 524 OD1 ASP A 39 -2.099 -16.524 -11.156 1.00 0.00 O ATOM 525 OD2 ASP A 39 -0.499 -14.984 -11.315 1.00 0.00 O ATOM 0 H ASP A 39 -4.816 -14.180 -8.576 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.653 -12.814 -9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.186 -14.349 -8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.410 -15.594 -8.829 1.00 0.00 H new ATOM 529 N ILE A 40 -4.015 -13.407 -11.933 1.00 0.00 N ATOM 530 CA ILE A 40 -4.791 -13.718 -13.122 1.00 0.00 C ATOM 531 C ILE A 40 -3.873 -13.685 -14.347 1.00 0.00 C ATOM 532 O ILE A 40 -3.766 -12.660 -15.019 1.00 0.00 O ATOM 533 CB ILE A 40 -5.999 -12.786 -13.233 1.00 0.00 C ATOM 534 CG1 ILE A 40 -6.762 -12.718 -11.909 1.00 0.00 C ATOM 535 CG2 ILE A 40 -6.903 -13.198 -14.396 1.00 0.00 C ATOM 536 CD1 ILE A 40 -7.147 -14.117 -11.424 1.00 0.00 C ATOM 0 H ILE A 40 -3.527 -12.512 -11.964 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.201 -14.726 -13.057 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.637 -11.780 -13.447 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.147 -12.225 -11.156 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.660 -12.113 -12.034 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.754 -12.520 -14.453 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.340 -13.153 -15.328 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.260 -14.215 -14.237 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.688 -14.039 -10.481 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.782 -14.598 -12.168 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -6.246 -14.712 -11.277 1.00 0.00 H new ATOM 547 N SER A 41 -3.236 -14.818 -14.599 1.00 0.00 N ATOM 548 CA SER A 41 -2.332 -14.932 -15.731 1.00 0.00 C ATOM 549 C SER A 41 -1.185 -13.929 -15.588 1.00 0.00 C ATOM 550 O SER A 41 -0.910 -13.160 -16.508 1.00 0.00 O ATOM 551 CB SER A 41 -3.071 -14.707 -17.052 1.00 0.00 C ATOM 552 OG SER A 41 -2.729 -15.687 -18.028 1.00 0.00 O ATOM 0 H SER A 41 -3.328 -15.666 -14.039 1.00 0.00 H new ATOM 0 HA SER A 41 -1.924 -15.943 -15.742 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.146 -14.732 -16.875 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.834 -13.715 -17.436 1.00 0.00 H new ATOM 0 HG SER A 41 -3.222 -15.510 -18.856 1.00 0.00 H new ATOM 557 N GLY A 42 -0.548 -13.970 -14.427 1.00 0.00 N ATOM 558 CA GLY A 42 0.563 -13.074 -14.152 1.00 0.00 C ATOM 559 C GLY A 42 0.071 -11.764 -13.532 1.00 0.00 C ATOM 560 O GLY A 42 0.823 -11.078 -12.842 1.00 0.00 O ATOM 0 H GLY A 42 -0.780 -14.609 -13.666 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.267 -13.559 -13.476 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.102 -12.863 -15.076 1.00 0.00 H new ATOM 564 N ARG A 43 -1.190 -11.458 -13.801 1.00 0.00 N ATOM 565 CA ARG A 43 -1.792 -10.242 -13.278 1.00 0.00 C ATOM 566 C ARG A 43 -2.184 -10.433 -11.812 1.00 0.00 C ATOM 567 O ARG A 43 -3.289 -10.887 -11.515 1.00 0.00 O ATOM 568 CB ARG A 43 -3.032 -9.852 -14.084 1.00 0.00 C ATOM 569 CG ARG A 43 -3.293 -8.347 -13.993 1.00 0.00 C ATOM 570 CD ARG A 43 -4.332 -8.034 -12.914 1.00 0.00 C ATOM 571 NE ARG A 43 -5.523 -7.404 -13.525 1.00 0.00 N ATOM 572 CZ ARG A 43 -5.497 -6.250 -14.206 1.00 0.00 C ATOM 573 NH1 ARG A 43 -4.340 -5.593 -14.365 1.00 0.00 N ATOM 574 NH2 ARG A 43 -6.627 -5.753 -14.725 1.00 0.00 N ATOM 0 H ARG A 43 -1.811 -12.030 -14.373 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.054 -9.444 -13.359 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.898 -10.139 -15.127 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.899 -10.398 -13.712 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.362 -7.826 -13.768 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.642 -7.976 -14.957 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.620 -8.950 -12.398 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.902 -7.368 -12.166 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.420 -7.878 -13.421 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.480 -5.971 -13.968 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.319 -4.715 -14.883 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.508 -6.253 -14.602 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.607 -4.875 -15.243 1.00 0.00 H new ATOM 585 N LYS A 44 -1.259 -10.075 -10.934 1.00 0.00 N ATOM 586 CA LYS A 44 -1.495 -10.202 -9.505 1.00 0.00 C ATOM 587 C LYS A 44 -2.414 -9.068 -9.042 1.00 0.00 C ATOM 588 O LYS A 44 -2.126 -7.895 -9.277 1.00 0.00 O ATOM 589 CB LYS A 44 -0.168 -10.265 -8.746 1.00 0.00 C ATOM 590 CG LYS A 44 0.172 -11.705 -8.357 1.00 0.00 C ATOM 591 CD LYS A 44 0.515 -11.805 -6.869 1.00 0.00 C ATOM 592 CE LYS A 44 1.893 -11.205 -6.583 1.00 0.00 C ATOM 593 NZ LYS A 44 2.091 -11.035 -5.126 1.00 0.00 N ATOM 0 H LYS A 44 -0.345 -9.697 -11.184 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.007 -11.139 -9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.629 -9.854 -9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.227 -9.647 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.673 -12.356 -8.584 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.014 -12.057 -8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.241 -11.284 -6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.497 -12.849 -6.557 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.670 -11.853 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.988 -10.242 -7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.072 -11.276 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.900 -10.047 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.440 -11.662 -4.612 1.00 0.00 H new ATOM 603 N LEU A 45 -3.501 -9.458 -8.394 1.00 0.00 N ATOM 604 CA LEU A 45 -4.463 -8.490 -7.896 1.00 0.00 C ATOM 605 C LEU A 45 -4.308 -8.357 -6.380 1.00 0.00 C ATOM 606 O LEU A 45 -3.851 -9.285 -5.715 1.00 0.00 O ATOM 607 CB LEU A 45 -5.879 -8.865 -8.339 1.00 0.00 C ATOM 608 CG LEU A 45 -6.507 -7.969 -9.409 1.00 0.00 C ATOM 609 CD1 LEU A 45 -5.434 -7.372 -10.321 1.00 0.00 C ATOM 610 CD2 LEU A 45 -7.575 -8.727 -10.200 1.00 0.00 C ATOM 0 H LEU A 45 -3.737 -10.432 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.270 -7.506 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.862 -9.888 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.526 -8.858 -7.462 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.005 -7.138 -8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.906 -6.739 -11.073 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.742 -6.775 -9.727 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.888 -8.176 -10.815 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.006 -8.068 -10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.122 -9.590 -10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.359 -9.064 -9.522 1.00 0.00 H new ATOM 621 N PHE A 46 -4.700 -7.195 -5.877 1.00 0.00 N ATOM 622 CA PHE A 46 -4.610 -6.928 -4.451 1.00 0.00 C ATOM 623 C PHE A 46 -5.750 -6.017 -3.991 1.00 0.00 C ATOM 624 O PHE A 46 -5.889 -4.896 -4.479 1.00 0.00 O ATOM 625 CB PHE A 46 -3.277 -6.217 -4.212 1.00 0.00 C ATOM 626 CG PHE A 46 -2.080 -6.899 -4.877 1.00 0.00 C ATOM 627 CD1 PHE A 46 -1.720 -6.558 -6.144 1.00 0.00 C ATOM 628 CD2 PHE A 46 -1.376 -7.847 -4.203 1.00 0.00 C ATOM 629 CE1 PHE A 46 -0.608 -7.191 -6.761 1.00 0.00 C ATOM 630 CE2 PHE A 46 -0.264 -8.480 -4.820 1.00 0.00 C ATOM 631 CZ PHE A 46 0.095 -8.140 -6.086 1.00 0.00 C ATOM 0 H PHE A 46 -5.081 -6.428 -6.431 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.679 -7.862 -3.893 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.351 -5.194 -4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.097 -6.156 -3.139 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.280 -5.806 -6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.662 -8.119 -3.198 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.321 -6.919 -7.766 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.296 -9.231 -4.283 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.939 -8.623 -6.556 1.00 0.00 H new ATOM 640 N TYR A 47 -6.537 -6.531 -3.059 1.00 0.00 N ATOM 641 CA TYR A 47 -7.660 -5.778 -2.528 1.00 0.00 C ATOM 642 C TYR A 47 -7.199 -4.787 -1.457 1.00 0.00 C ATOM 643 O TYR A 47 -7.093 -5.139 -0.284 1.00 0.00 O ATOM 644 CB TYR A 47 -8.592 -6.807 -1.883 1.00 0.00 C ATOM 645 CG TYR A 47 -10.003 -6.284 -1.608 1.00 0.00 C ATOM 646 CD1 TYR A 47 -10.667 -5.551 -2.572 1.00 0.00 C ATOM 647 CD2 TYR A 47 -10.611 -6.544 -0.397 1.00 0.00 C ATOM 648 CE1 TYR A 47 -11.995 -5.057 -2.312 1.00 0.00 C ATOM 649 CE2 TYR A 47 -11.939 -6.050 -0.138 1.00 0.00 C ATOM 650 CZ TYR A 47 -12.565 -5.332 -1.109 1.00 0.00 C ATOM 651 OH TYR A 47 -13.820 -4.866 -0.864 1.00 0.00 O ATOM 0 H TYR A 47 -6.419 -7.461 -2.657 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.148 -5.209 -3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.659 -7.679 -2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.151 -7.143 -0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.191 -5.348 -3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.091 -7.118 0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.526 -4.481 -3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.427 -6.245 0.806 1.00 0.00 H new ATOM 0 HH TYR A 47 -14.101 -5.139 0.034 1.00 0.00 H new ATOM 660 N VAL A 48 -6.936 -3.566 -1.901 1.00 0.00 N ATOM 661 CA VAL A 48 -6.488 -2.521 -0.996 1.00 0.00 C ATOM 662 C VAL A 48 -7.692 -1.687 -0.553 1.00 0.00 C ATOM 663 O VAL A 48 -8.688 -1.596 -1.269 1.00 0.00 O ATOM 664 CB VAL A 48 -5.394 -1.685 -1.663 1.00 0.00 C ATOM 665 CG1 VAL A 48 -4.221 -2.566 -2.100 1.00 0.00 C ATOM 666 CG2 VAL A 48 -5.954 -0.892 -2.846 1.00 0.00 C ATOM 0 H VAL A 48 -7.025 -3.277 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.045 -2.955 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.022 -0.972 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.457 -1.947 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.797 -3.066 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.572 -3.313 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.156 -0.306 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.366 -1.581 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.740 -0.223 -2.496 1.00 0.00 H new ATOM 676 N HIS A 49 -7.560 -1.097 0.627 1.00 0.00 N ATOM 677 CA HIS A 49 -8.624 -0.273 1.175 1.00 0.00 C ATOM 678 C HIS A 49 -8.062 1.092 1.573 1.00 0.00 C ATOM 679 O HIS A 49 -7.222 1.185 2.467 1.00 0.00 O ATOM 680 CB HIS A 49 -9.324 -0.988 2.332 1.00 0.00 C ATOM 681 CG HIS A 49 -10.007 -0.057 3.305 1.00 0.00 C ATOM 682 ND1 HIS A 49 -11.026 0.801 2.932 1.00 0.00 N ATOM 683 CD2 HIS A 49 -9.807 0.139 4.640 1.00 0.00 C ATOM 684 CE1 HIS A 49 -11.414 1.480 4.001 1.00 0.00 C ATOM 685 NE2 HIS A 49 -10.657 1.069 5.059 1.00 0.00 N ATOM 0 H HIS A 49 -6.732 -1.174 1.218 1.00 0.00 H new ATOM 0 HA HIS A 49 -9.387 -0.105 0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -10.063 -1.678 1.925 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -8.591 -1.588 2.872 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -11.413 0.895 1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -9.081 -0.375 5.252 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -12.193 2.228 4.030 1.00 0.00 H new ATOM 692 N TYR A 50 -8.549 2.119 0.892 1.00 0.00 N ATOM 693 CA TYR A 50 -8.105 3.476 1.164 1.00 0.00 C ATOM 694 C TYR A 50 -8.397 3.867 2.614 1.00 0.00 C ATOM 695 O TYR A 50 -9.548 3.846 3.047 1.00 0.00 O ATOM 696 CB TYR A 50 -8.913 4.379 0.231 1.00 0.00 C ATOM 697 CG TYR A 50 -8.651 4.134 -1.256 1.00 0.00 C ATOM 698 CD1 TYR A 50 -7.382 3.801 -1.686 1.00 0.00 C ATOM 699 CD2 TYR A 50 -9.681 4.245 -2.167 1.00 0.00 C ATOM 700 CE1 TYR A 50 -7.135 3.569 -3.086 1.00 0.00 C ATOM 701 CE2 TYR A 50 -9.434 4.014 -3.566 1.00 0.00 C ATOM 702 CZ TYR A 50 -8.172 3.687 -3.957 1.00 0.00 C ATOM 703 OH TYR A 50 -7.938 3.470 -5.278 1.00 0.00 O ATOM 0 H TYR A 50 -9.247 2.039 0.152 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.030 3.568 1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.975 4.233 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.685 5.419 0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.575 3.715 -0.973 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.674 4.505 -1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.147 3.307 -3.436 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.232 4.098 -4.289 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.791 3.352 -5.746 1.00 0.00 H new ATOM 712 N ILE A 51 -7.334 4.217 3.325 1.00 0.00 N ATOM 713 CA ILE A 51 -7.462 4.612 4.716 1.00 0.00 C ATOM 714 C ILE A 51 -7.265 6.125 4.832 1.00 0.00 C ATOM 715 O ILE A 51 -6.981 6.796 3.841 1.00 0.00 O ATOM 716 CB ILE A 51 -6.508 3.800 5.595 1.00 0.00 C ATOM 717 CG1 ILE A 51 -5.103 3.763 4.989 1.00 0.00 C ATOM 718 CG2 ILE A 51 -7.060 2.396 5.850 1.00 0.00 C ATOM 719 CD1 ILE A 51 -4.832 2.415 4.316 1.00 0.00 C ATOM 0 H ILE A 51 -6.381 4.235 2.963 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.464 4.390 5.083 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.428 4.295 6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.996 4.566 4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.362 3.940 5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.363 1.839 6.477 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.023 2.470 6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.187 1.877 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.827 2.415 3.893 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.916 1.617 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.560 2.252 3.521 1.00 0.00 H new ATOM 730 N ASP A 52 -7.427 6.620 6.051 1.00 0.00 N ATOM 731 CA ASP A 52 -7.270 8.041 6.309 1.00 0.00 C ATOM 732 C ASP A 52 -7.900 8.835 5.163 1.00 0.00 C ATOM 733 O ASP A 52 -7.328 9.820 4.698 1.00 0.00 O ATOM 734 CB ASP A 52 -5.792 8.426 6.395 1.00 0.00 C ATOM 735 CG ASP A 52 -5.525 9.901 6.697 1.00 0.00 C ATOM 736 OD1 ASP A 52 -5.854 10.318 7.830 1.00 0.00 O ATOM 737 OD2 ASP A 52 -4.997 10.581 5.790 1.00 0.00 O ATOM 0 H ASP A 52 -7.665 6.062 6.871 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.757 8.267 7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.319 7.821 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.310 8.171 5.451 1.00 0.00 H new ATOM 741 N PHE A 53 -9.070 8.377 4.741 1.00 0.00 N ATOM 742 CA PHE A 53 -9.784 9.033 3.658 1.00 0.00 C ATOM 743 C PHE A 53 -11.165 8.409 3.456 1.00 0.00 C ATOM 744 O PHE A 53 -11.319 7.473 2.672 1.00 0.00 O ATOM 745 CB PHE A 53 -8.954 8.829 2.389 1.00 0.00 C ATOM 746 CG PHE A 53 -9.136 9.931 1.343 1.00 0.00 C ATOM 747 CD1 PHE A 53 -9.069 11.238 1.714 1.00 0.00 C ATOM 748 CD2 PHE A 53 -9.365 9.604 0.042 1.00 0.00 C ATOM 749 CE1 PHE A 53 -9.238 12.261 0.743 1.00 0.00 C ATOM 750 CE2 PHE A 53 -9.534 10.627 -0.927 1.00 0.00 C ATOM 751 CZ PHE A 53 -9.467 11.934 -0.557 1.00 0.00 C ATOM 0 H PHE A 53 -9.541 7.560 5.129 1.00 0.00 H new ATOM 0 HA PHE A 53 -9.923 10.089 3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.900 8.771 2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.221 7.871 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.887 11.498 2.746 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.418 8.566 -0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -9.185 13.299 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.716 10.367 -1.959 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.596 12.712 -1.295 1.00 0.00 H new ATOM 760 N ASN A 54 -12.136 8.953 4.176 1.00 0.00 N ATOM 761 CA ASN A 54 -13.500 8.461 4.086 1.00 0.00 C ATOM 762 C ASN A 54 -13.534 6.987 4.493 1.00 0.00 C ATOM 763 O ASN A 54 -12.537 6.447 4.971 1.00 0.00 O ATOM 764 CB ASN A 54 -14.030 8.568 2.655 1.00 0.00 C ATOM 765 CG ASN A 54 -15.156 9.600 2.563 1.00 0.00 C ATOM 766 OD1 ASN A 54 -15.869 9.866 3.517 1.00 0.00 O ATOM 767 ND2 ASN A 54 -15.277 10.164 1.365 1.00 0.00 N ATOM 0 H ASN A 54 -12.005 9.730 4.824 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.121 9.065 4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.219 8.849 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.395 7.596 2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.000 10.865 1.202 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.647 9.896 0.609 1.00 0.00 H new ATOM 773 N ARG A 55 -14.694 6.377 4.290 1.00 0.00 N ATOM 774 CA ARG A 55 -14.871 4.975 4.631 1.00 0.00 C ATOM 775 C ARG A 55 -15.569 4.236 3.488 1.00 0.00 C ATOM 776 O ARG A 55 -15.958 4.847 2.494 1.00 0.00 O ATOM 777 CB ARG A 55 -15.697 4.820 5.909 1.00 0.00 C ATOM 778 CG ARG A 55 -14.823 4.342 7.071 1.00 0.00 C ATOM 779 CD ARG A 55 -14.003 5.496 7.651 1.00 0.00 C ATOM 780 NE ARG A 55 -12.829 4.966 8.381 1.00 0.00 N ATOM 781 CZ ARG A 55 -11.958 5.728 9.057 1.00 0.00 C ATOM 782 NH1 ARG A 55 -12.123 7.057 9.099 1.00 0.00 N ATOM 783 NH2 ARG A 55 -10.922 5.160 9.690 1.00 0.00 N ATOM 0 H ARG A 55 -15.519 6.828 3.894 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.883 4.546 4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.160 5.773 6.165 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.505 4.108 5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.452 3.910 7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.154 3.553 6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.675 6.158 6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.622 6.091 8.323 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.673 3.958 8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.911 7.489 8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.460 7.637 9.613 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.797 4.148 9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.259 5.740 10.205 1.00 0.00 H new ATOM 794 N ARG A 56 -15.705 2.930 3.667 1.00 0.00 N ATOM 795 CA ARG A 56 -16.350 2.101 2.662 1.00 0.00 C ATOM 796 C ARG A 56 -15.638 2.247 1.316 1.00 0.00 C ATOM 797 O ARG A 56 -16.283 2.421 0.284 1.00 0.00 O ATOM 798 CB ARG A 56 -17.822 2.480 2.497 1.00 0.00 C ATOM 799 CG ARG A 56 -18.711 1.235 2.477 1.00 0.00 C ATOM 800 CD ARG A 56 -19.931 1.447 1.578 1.00 0.00 C ATOM 801 NE ARG A 56 -21.043 0.576 2.022 1.00 0.00 N ATOM 802 CZ ARG A 56 -21.678 0.708 3.194 1.00 0.00 C ATOM 803 NH1 ARG A 56 -21.316 1.675 4.047 1.00 0.00 N ATOM 804 NH2 ARG A 56 -22.677 -0.128 3.512 1.00 0.00 N ATOM 0 H ARG A 56 -15.380 2.426 4.492 1.00 0.00 H new ATOM 0 HA ARG A 56 -16.289 1.066 2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -18.126 3.135 3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -17.955 3.041 1.572 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -18.137 0.379 2.121 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -19.038 1.001 3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -20.241 2.492 1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -19.674 1.223 0.543 1.00 0.00 H new ATOM 0 HE ARG A 56 -21.344 -0.171 1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -20.557 2.311 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -21.800 1.775 4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -22.953 -0.864 2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -23.161 -0.028 4.404 1.00 0.00 H new ATOM 815 N LEU A 57 -14.316 2.171 1.371 1.00 0.00 N ATOM 816 CA LEU A 57 -13.509 2.293 0.169 1.00 0.00 C ATOM 817 C LEU A 57 -12.640 1.043 0.013 1.00 0.00 C ATOM 818 O LEU A 57 -11.500 1.014 0.475 1.00 0.00 O ATOM 819 CB LEU A 57 -12.711 3.598 0.190 1.00 0.00 C ATOM 820 CG LEU A 57 -13.525 4.879 0.385 1.00 0.00 C ATOM 821 CD1 LEU A 57 -12.949 5.726 1.522 1.00 0.00 C ATOM 822 CD2 LEU A 57 -13.627 5.668 -0.922 1.00 0.00 C ATOM 0 H LEU A 57 -13.784 2.026 2.229 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.147 2.350 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.972 3.536 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.161 3.680 -0.748 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.539 4.600 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.546 6.631 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.971 5.153 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.920 5.998 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.210 6.574 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.628 5.938 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.116 5.055 -1.680 1.00 0.00 H new ATOM 833 N ASP A 58 -13.213 0.041 -0.638 1.00 0.00 N ATOM 834 CA ASP A 58 -12.505 -1.209 -0.859 1.00 0.00 C ATOM 835 C ASP A 58 -12.617 -1.599 -2.333 1.00 0.00 C ATOM 836 O ASP A 58 -13.719 -1.786 -2.847 1.00 0.00 O ATOM 837 CB ASP A 58 -13.107 -2.339 -0.023 1.00 0.00 C ATOM 838 CG ASP A 58 -13.400 -1.980 1.435 1.00 0.00 C ATOM 839 OD1 ASP A 58 -14.177 -1.023 1.640 1.00 0.00 O ATOM 840 OD2 ASP A 58 -12.838 -2.671 2.313 1.00 0.00 O ATOM 0 H ASP A 58 -14.159 0.069 -1.019 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.464 -1.063 -0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.034 -2.665 -0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.424 -3.188 -0.042 1.00 0.00 H new ATOM 844 N GLU A 59 -11.463 -1.711 -2.973 1.00 0.00 N ATOM 845 CA GLU A 59 -11.417 -2.075 -4.379 1.00 0.00 C ATOM 846 C GLU A 59 -10.086 -2.752 -4.710 1.00 0.00 C ATOM 847 O GLU A 59 -9.070 -2.473 -4.075 1.00 0.00 O ATOM 848 CB GLU A 59 -11.649 -0.854 -5.270 1.00 0.00 C ATOM 849 CG GLU A 59 -10.539 0.183 -5.078 1.00 0.00 C ATOM 850 CD GLU A 59 -10.801 1.429 -5.926 1.00 0.00 C ATOM 851 OE1 GLU A 59 -11.524 2.317 -5.422 1.00 0.00 O ATOM 852 OE2 GLU A 59 -10.272 1.467 -7.058 1.00 0.00 O ATOM 0 H GLU A 59 -10.551 -1.556 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.221 -2.784 -4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.686 -1.163 -6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.615 -0.406 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.474 0.461 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.578 -0.252 -5.352 1.00 0.00 H new ATOM 857 N TRP A 60 -10.133 -3.626 -5.704 1.00 0.00 N ATOM 858 CA TRP A 60 -8.943 -4.345 -6.126 1.00 0.00 C ATOM 859 C TRP A 60 -8.056 -3.371 -6.905 1.00 0.00 C ATOM 860 O TRP A 60 -8.549 -2.409 -7.492 1.00 0.00 O ATOM 861 CB TRP A 60 -9.312 -5.593 -6.931 1.00 0.00 C ATOM 862 CG TRP A 60 -10.156 -6.606 -6.156 1.00 0.00 C ATOM 863 CD1 TRP A 60 -11.463 -6.545 -5.872 1.00 0.00 C ATOM 864 CD2 TRP A 60 -9.693 -7.843 -5.574 1.00 0.00 C ATOM 865 NE1 TRP A 60 -11.877 -7.648 -5.151 1.00 0.00 N ATOM 866 CE2 TRP A 60 -10.767 -8.462 -4.966 1.00 0.00 C ATOM 867 CE3 TRP A 60 -8.412 -8.422 -5.564 1.00 0.00 C ATOM 868 CZ2 TRP A 60 -10.666 -9.691 -4.300 1.00 0.00 C ATOM 869 CZ3 TRP A 60 -8.329 -9.648 -4.895 1.00 0.00 C ATOM 870 CH2 TRP A 60 -9.399 -10.284 -4.277 1.00 0.00 C ATOM 0 H TRP A 60 -10.977 -3.853 -6.230 1.00 0.00 H new ATOM 0 HA TRP A 60 -8.386 -4.711 -5.263 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.858 -5.289 -7.824 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.397 -6.080 -7.267 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -12.112 -5.735 -6.169 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -12.823 -7.831 -4.816 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -7.559 -7.957 -6.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.520 -10.155 -3.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -7.366 -10.134 -4.856 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -9.253 -11.232 -3.781 1.00 0.00 H new ATOM 880 N VAL A 61 -6.762 -3.656 -6.885 1.00 0.00 N ATOM 881 CA VAL A 61 -5.801 -2.817 -7.582 1.00 0.00 C ATOM 882 C VAL A 61 -4.704 -3.699 -8.185 1.00 0.00 C ATOM 883 O VAL A 61 -4.782 -4.924 -8.120 1.00 0.00 O ATOM 884 CB VAL A 61 -5.254 -1.748 -6.633 1.00 0.00 C ATOM 885 CG1 VAL A 61 -6.390 -0.921 -6.027 1.00 0.00 C ATOM 886 CG2 VAL A 61 -4.389 -2.376 -5.539 1.00 0.00 C ATOM 0 H VAL A 61 -6.357 -4.455 -6.398 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.282 -2.287 -8.404 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.622 -1.076 -7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.975 -0.169 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.947 -0.429 -6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.059 -1.576 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.013 -1.594 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.987 -3.082 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.549 -2.900 -5.995 1.00 0.00 H new ATOM 896 N THR A 62 -3.708 -3.039 -8.757 1.00 0.00 N ATOM 897 CA THR A 62 -2.597 -3.747 -9.370 1.00 0.00 C ATOM 898 C THR A 62 -1.283 -3.382 -8.676 1.00 0.00 C ATOM 899 O THR A 62 -1.274 -2.592 -7.734 1.00 0.00 O ATOM 900 CB THR A 62 -2.603 -3.429 -10.867 1.00 0.00 C ATOM 901 OG1 THR A 62 -2.501 -2.008 -10.920 1.00 0.00 O ATOM 902 CG2 THR A 62 -3.950 -3.731 -11.526 1.00 0.00 C ATOM 0 H THR A 62 -3.647 -2.022 -8.809 1.00 0.00 H new ATOM 0 HA THR A 62 -2.701 -4.825 -9.251 1.00 0.00 H new ATOM 0 HB THR A 62 -1.821 -4.004 -11.363 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.496 -1.715 -11.855 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.899 -3.487 -12.587 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.184 -4.789 -11.408 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.729 -3.132 -11.053 1.00 0.00 H new ATOM 910 N HIS A 63 -0.206 -3.976 -9.169 1.00 0.00 N ATOM 911 CA HIS A 63 1.110 -3.724 -8.607 1.00 0.00 C ATOM 912 C HIS A 63 1.584 -2.328 -9.017 1.00 0.00 C ATOM 913 O HIS A 63 2.159 -1.602 -8.208 1.00 0.00 O ATOM 914 CB HIS A 63 2.093 -4.825 -9.010 1.00 0.00 C ATOM 915 CG HIS A 63 3.518 -4.350 -9.164 1.00 0.00 C ATOM 916 ND1 HIS A 63 4.284 -4.625 -10.283 1.00 0.00 N ATOM 917 CD2 HIS A 63 4.307 -3.616 -8.327 1.00 0.00 C ATOM 918 CE1 HIS A 63 5.478 -4.077 -10.118 1.00 0.00 C ATOM 919 NE2 HIS A 63 5.492 -3.452 -8.905 1.00 0.00 N ATOM 0 H HIS A 63 -0.218 -4.631 -9.951 1.00 0.00 H new ATOM 0 HA HIS A 63 1.055 -3.747 -7.519 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.064 -5.616 -8.261 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.764 -5.265 -9.951 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.018 -3.233 -7.359 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.297 -4.118 -10.820 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.282 -2.943 -8.508 1.00 0.00 H new ATOM 926 N GLU A 64 1.323 -1.995 -10.272 1.00 0.00 N ATOM 927 CA GLU A 64 1.715 -0.698 -10.799 1.00 0.00 C ATOM 928 C GLU A 64 1.387 0.405 -9.791 1.00 0.00 C ATOM 929 O GLU A 64 2.198 1.302 -9.561 1.00 0.00 O ATOM 930 CB GLU A 64 1.043 -0.427 -12.146 1.00 0.00 C ATOM 931 CG GLU A 64 1.762 0.691 -12.902 1.00 0.00 C ATOM 932 CD GLU A 64 1.387 0.680 -14.386 1.00 0.00 C ATOM 933 OE1 GLU A 64 1.248 -0.438 -14.927 1.00 0.00 O ATOM 934 OE2 GLU A 64 1.248 1.789 -14.944 1.00 0.00 O ATOM 0 H GLU A 64 0.845 -2.600 -10.940 1.00 0.00 H new ATOM 0 HA GLU A 64 2.793 -0.705 -10.963 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.045 -1.337 -12.747 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.000 -0.152 -11.987 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.503 1.655 -12.465 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.840 0.572 -12.795 1.00 0.00 H new ATOM 939 N ARG A 65 0.198 0.304 -9.215 1.00 0.00 N ATOM 940 CA ARG A 65 -0.247 1.281 -8.238 1.00 0.00 C ATOM 941 C ARG A 65 0.455 1.050 -6.898 1.00 0.00 C ATOM 942 O ARG A 65 0.700 1.995 -6.150 1.00 0.00 O ATOM 943 CB ARG A 65 -1.761 1.206 -8.033 1.00 0.00 C ATOM 944 CG ARG A 65 -2.507 1.594 -9.311 1.00 0.00 C ATOM 945 CD ARG A 65 -3.705 0.672 -9.548 1.00 0.00 C ATOM 946 NE ARG A 65 -4.832 1.441 -10.121 1.00 0.00 N ATOM 947 CZ ARG A 65 -5.873 0.888 -10.757 1.00 0.00 C ATOM 948 NH1 ARG A 65 -5.936 -0.442 -10.908 1.00 0.00 N ATOM 949 NH2 ARG A 65 -6.850 1.664 -11.245 1.00 0.00 N ATOM 0 H ARG A 65 -0.471 -0.441 -9.407 1.00 0.00 H new ATOM 0 HA ARG A 65 0.007 2.270 -8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.042 0.195 -7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.055 1.870 -7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.847 2.627 -9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.829 1.541 -10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.424 -0.135 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.010 0.210 -8.609 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.815 2.456 -10.026 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.191 -1.033 -10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.729 -0.863 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.801 2.677 -11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.642 1.242 -11.729 1.00 0.00 H new ATOM 960 N LEU A 66 0.757 -0.213 -6.636 1.00 0.00 N ATOM 961 CA LEU A 66 1.426 -0.581 -5.400 1.00 0.00 C ATOM 962 C LEU A 66 2.833 0.018 -5.387 1.00 0.00 C ATOM 963 O LEU A 66 3.686 -0.375 -6.181 1.00 0.00 O ATOM 964 CB LEU A 66 1.402 -2.099 -5.209 1.00 0.00 C ATOM 965 CG LEU A 66 0.026 -2.723 -4.967 1.00 0.00 C ATOM 966 CD1 LEU A 66 0.043 -4.222 -5.273 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.466 -2.433 -3.548 1.00 0.00 C ATOM 0 H LEU A 66 0.551 -0.994 -7.258 1.00 0.00 H new ATOM 0 HA LEU A 66 0.896 -0.166 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.839 -2.563 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.046 -2.349 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.684 -2.262 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.947 -4.641 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.319 -4.377 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.769 -4.717 -4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.446 -2.888 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.238 -2.849 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.541 -1.355 -3.402 1.00 0.00 H new ATOM 978 N ASP A 67 3.033 0.959 -4.477 1.00 0.00 N ATOM 979 CA ASP A 67 4.322 1.618 -4.351 1.00 0.00 C ATOM 980 C ASP A 67 5.109 0.973 -3.208 1.00 0.00 C ATOM 981 O ASP A 67 5.280 1.576 -2.149 1.00 0.00 O ATOM 982 CB ASP A 67 4.154 3.104 -4.029 1.00 0.00 C ATOM 983 CG ASP A 67 5.272 4.009 -4.550 1.00 0.00 C ATOM 984 OD1 ASP A 67 6.334 3.453 -4.902 1.00 0.00 O ATOM 985 OD2 ASP A 67 5.040 5.237 -4.582 1.00 0.00 O ATOM 0 H ASP A 67 2.323 1.281 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 67 4.848 1.513 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.207 3.446 -4.446 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.087 3.221 -2.947 1.00 0.00 H new ATOM 989 N LEU A 68 5.568 -0.244 -3.461 1.00 0.00 N ATOM 990 CA LEU A 68 6.332 -0.977 -2.466 1.00 0.00 C ATOM 991 C LEU A 68 7.473 -0.095 -1.954 1.00 0.00 C ATOM 992 O LEU A 68 7.999 -0.325 -0.867 1.00 0.00 O ATOM 993 CB LEU A 68 6.801 -2.320 -3.032 1.00 0.00 C ATOM 994 CG LEU A 68 5.816 -3.037 -3.958 1.00 0.00 C ATOM 995 CD1 LEU A 68 6.231 -4.493 -4.178 1.00 0.00 C ATOM 996 CD2 LEU A 68 4.384 -2.923 -3.430 1.00 0.00 C ATOM 0 H LEU A 68 5.425 -0.741 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 68 5.705 -1.220 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.730 -2.157 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.033 -2.982 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 68 5.841 -2.544 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.514 -4.980 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.222 -4.524 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.253 -5.014 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.704 -3.441 -4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.324 -3.375 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.102 -1.872 -3.367 1.00 0.00 H new ATOM 1007 N LYS A 69 7.821 0.896 -2.761 1.00 0.00 N ATOM 1008 CA LYS A 69 8.888 1.813 -2.404 1.00 0.00 C ATOM 1009 C LYS A 69 8.461 2.636 -1.187 1.00 0.00 C ATOM 1010 O LYS A 69 9.274 3.348 -0.597 1.00 0.00 O ATOM 1011 CB LYS A 69 9.291 2.665 -3.610 1.00 0.00 C ATOM 1012 CG LYS A 69 9.635 1.782 -4.812 1.00 0.00 C ATOM 1013 CD LYS A 69 10.999 2.159 -5.395 1.00 0.00 C ATOM 1014 CE LYS A 69 11.030 1.934 -6.908 1.00 0.00 C ATOM 1015 NZ LYS A 69 12.405 1.627 -7.358 1.00 0.00 N ATOM 0 H LYS A 69 7.382 1.084 -3.662 1.00 0.00 H new ATOM 0 HA LYS A 69 9.784 1.261 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.477 3.341 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.149 3.285 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.642 0.735 -4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.866 1.887 -5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.216 3.204 -5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.779 1.564 -4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.363 1.114 -7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.663 2.823 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.408 1.477 -8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.033 2.422 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.742 0.766 -6.882 1.00 0.00 H new ATOM 1025 N LYS A 70 7.188 2.512 -0.846 1.00 0.00 N ATOM 1026 CA LYS A 70 6.643 3.235 0.291 1.00 0.00 C ATOM 1027 C LYS A 70 5.848 2.269 1.171 1.00 0.00 C ATOM 1028 O LYS A 70 5.094 2.697 2.045 1.00 0.00 O ATOM 1029 CB LYS A 70 5.834 4.445 -0.181 1.00 0.00 C ATOM 1030 CG LYS A 70 6.707 5.408 -0.986 1.00 0.00 C ATOM 1031 CD LYS A 70 6.403 6.862 -0.619 1.00 0.00 C ATOM 1032 CE LYS A 70 7.298 7.825 -1.402 1.00 0.00 C ATOM 1033 NZ LYS A 70 6.745 8.062 -2.754 1.00 0.00 N ATOM 0 H LYS A 70 6.517 1.921 -1.337 1.00 0.00 H new ATOM 0 HA LYS A 70 7.447 3.639 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.996 4.110 -0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.413 4.964 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.759 5.194 -0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.536 5.255 -2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.356 7.082 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.552 7.010 0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.382 8.770 -0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.304 7.413 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.364 8.718 -3.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.688 7.160 -3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.794 8.475 -2.673 1.00 0.00 H new ATOM 1043 N ILE A 71 6.042 0.984 0.911 1.00 0.00 N ATOM 1044 CA ILE A 71 5.352 -0.046 1.668 1.00 0.00 C ATOM 1045 C ILE A 71 5.618 0.161 3.161 1.00 0.00 C ATOM 1046 O ILE A 71 6.582 0.826 3.537 1.00 0.00 O ATOM 1047 CB ILE A 71 5.742 -1.435 1.160 1.00 0.00 C ATOM 1048 CG1 ILE A 71 4.501 -2.254 0.797 1.00 0.00 C ATOM 1049 CG2 ILE A 71 6.630 -2.160 2.173 1.00 0.00 C ATOM 1050 CD1 ILE A 71 4.884 -3.677 0.385 1.00 0.00 C ATOM 0 H ILE A 71 6.668 0.633 0.186 1.00 0.00 H new ATOM 0 HA ILE A 71 4.274 0.030 1.522 1.00 0.00 H new ATOM 0 HB ILE A 71 6.327 -1.313 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.822 -2.289 1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.965 -1.767 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.893 -3.145 1.787 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.539 -1.581 2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.092 -2.271 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 71 3.984 -4.237 0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.544 -3.640 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.398 -4.169 1.211 1.00 0.00 H new ATOM 1061 N GLN A 72 4.746 -0.422 3.970 1.00 0.00 N ATOM 1062 CA GLN A 72 4.875 -0.311 5.413 1.00 0.00 C ATOM 1063 C GLN A 72 4.366 -1.585 6.092 1.00 0.00 C ATOM 1064 O GLN A 72 3.411 -1.542 6.865 1.00 0.00 O ATOM 1065 CB GLN A 72 4.133 0.922 5.936 1.00 0.00 C ATOM 1066 CG GLN A 72 4.897 2.204 5.601 1.00 0.00 C ATOM 1067 CD GLN A 72 4.467 3.353 6.514 1.00 0.00 C ATOM 1068 OE1 GLN A 72 5.019 3.576 7.579 1.00 0.00 O ATOM 1069 NE2 GLN A 72 3.452 4.071 6.038 1.00 0.00 N ATOM 0 H GLN A 72 3.948 -0.973 3.654 1.00 0.00 H new ATOM 0 HA GLN A 72 5.931 -0.191 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 72 3.136 0.964 5.498 1.00 0.00 H new ATOM 0 HB3 GLN A 72 4.004 0.843 7.015 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.968 2.032 5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.720 2.476 4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.035 3.831 5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.092 4.861 6.573 1.00 0.00 H new ATOM 1076 N PHE A 73 5.029 -2.688 5.778 1.00 0.00 N ATOM 1077 CA PHE A 73 4.656 -3.972 6.347 1.00 0.00 C ATOM 1078 C PHE A 73 4.204 -3.817 7.801 1.00 0.00 C ATOM 1079 O PHE A 73 4.614 -2.881 8.485 1.00 0.00 O ATOM 1080 CB PHE A 73 5.903 -4.858 6.305 1.00 0.00 C ATOM 1081 CG PHE A 73 6.115 -5.571 4.967 1.00 0.00 C ATOM 1082 CD1 PHE A 73 6.726 -4.921 3.941 1.00 0.00 C ATOM 1083 CD2 PHE A 73 5.691 -6.853 4.805 1.00 0.00 C ATOM 1084 CE1 PHE A 73 6.923 -5.582 2.699 1.00 0.00 C ATOM 1085 CE2 PHE A 73 5.888 -7.514 3.563 1.00 0.00 C ATOM 1086 CZ PHE A 73 6.500 -6.865 2.537 1.00 0.00 C ATOM 0 H PHE A 73 5.822 -2.719 5.137 1.00 0.00 H new ATOM 0 HA PHE A 73 3.830 -4.404 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.779 -4.246 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.832 -5.605 7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.061 -3.903 4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.205 -7.368 5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.408 -5.066 1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.552 -8.532 3.434 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.650 -7.368 1.593 1.00 0.00 H new ATOM 1095 N PRO A 74 3.343 -4.773 8.240 1.00 0.00 N ATOM 1096 CA PRO A 74 2.830 -4.752 9.600 1.00 0.00 C ATOM 1097 C PRO A 74 3.899 -5.207 10.595 1.00 0.00 C ATOM 1098 O PRO A 74 4.839 -5.911 10.225 1.00 0.00 O ATOM 1099 CB PRO A 74 1.614 -5.662 9.576 1.00 0.00 C ATOM 1100 CG PRO A 74 1.760 -6.521 8.330 1.00 0.00 C ATOM 1101 CD PRO A 74 2.836 -5.896 7.457 1.00 0.00 C ATOM 0 HA PRO A 74 2.554 -3.751 9.931 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.571 -6.280 10.473 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.692 -5.081 9.544 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.032 -7.542 8.600 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.814 -6.575 7.791 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.627 -6.611 7.231 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.427 -5.561 6.503 1.00 0.00 H new ATOM 1106 N LYS A 75 3.720 -4.789 11.839 1.00 0.00 N ATOM 1107 CA LYS A 75 4.657 -5.145 12.892 1.00 0.00 C ATOM 1108 C LYS A 75 4.159 -6.400 13.609 1.00 0.00 C ATOM 1109 O LYS A 75 3.478 -6.308 14.627 1.00 0.00 O ATOM 1110 CB LYS A 75 4.893 -3.956 13.824 1.00 0.00 C ATOM 1111 CG LYS A 75 5.884 -4.317 14.933 1.00 0.00 C ATOM 1112 CD LYS A 75 7.056 -3.333 14.962 1.00 0.00 C ATOM 1113 CE LYS A 75 7.908 -3.533 16.218 1.00 0.00 C ATOM 1114 NZ LYS A 75 8.637 -2.289 16.552 1.00 0.00 N ATOM 0 H LYS A 75 2.939 -4.207 12.142 1.00 0.00 H new ATOM 0 HA LYS A 75 5.632 -5.386 12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.275 -3.111 13.251 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.947 -3.641 14.265 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.375 -4.311 15.897 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.258 -5.329 14.777 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.673 -3.470 14.074 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.678 -2.311 14.933 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.272 -3.824 17.054 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.617 -4.345 16.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.210 -2.441 17.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.258 -2.028 15.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.955 -1.523 16.725 1.00 0.00 H new ATOM 1124 N LYS A 76 4.518 -7.547 13.047 1.00 0.00 N ATOM 1125 CA LYS A 76 4.116 -8.819 13.620 1.00 0.00 C ATOM 1126 C LYS A 76 5.308 -9.445 14.347 1.00 0.00 C ATOM 1127 O LYS A 76 6.434 -9.395 13.857 1.00 0.00 O ATOM 1128 CB LYS A 76 3.507 -9.722 12.546 1.00 0.00 C ATOM 1129 CG LYS A 76 1.996 -9.503 12.439 1.00 0.00 C ATOM 1130 CD LYS A 76 1.229 -10.744 12.899 1.00 0.00 C ATOM 1131 CE LYS A 76 0.338 -10.423 14.101 1.00 0.00 C ATOM 1132 NZ LYS A 76 -0.234 -11.664 14.668 1.00 0.00 N ATOM 0 H LYS A 76 5.083 -7.620 12.201 1.00 0.00 H new ATOM 0 HA LYS A 76 3.331 -8.672 14.362 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.977 -9.517 11.584 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.711 -10.766 12.785 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.705 -8.646 13.046 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.731 -9.268 11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.618 -11.123 12.080 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.932 -11.533 13.164 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.918 -9.902 14.863 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.465 -9.751 13.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.836 -11.428 15.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.804 -12.146 13.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.536 -12.292 14.976 1.00 0.00 H new ATOM 1142 N GLU A 77 5.018 -10.022 15.505 1.00 0.00 N ATOM 1143 CA GLU A 77 6.052 -10.658 16.303 1.00 0.00 C ATOM 1144 C GLU A 77 6.194 -12.130 15.913 1.00 0.00 C ATOM 1145 O GLU A 77 5.674 -13.011 16.598 1.00 0.00 O ATOM 1146 CB GLU A 77 5.758 -10.512 17.798 1.00 0.00 C ATOM 1147 CG GLU A 77 6.776 -9.590 18.470 1.00 0.00 C ATOM 1148 CD GLU A 77 7.752 -10.390 19.336 1.00 0.00 C ATOM 1149 OE1 GLU A 77 8.614 -11.069 18.740 1.00 0.00 O ATOM 1150 OE2 GLU A 77 7.613 -10.301 20.576 1.00 0.00 O ATOM 0 H GLU A 77 4.082 -10.062 15.909 1.00 0.00 H new ATOM 0 HA GLU A 77 6.999 -10.157 16.102 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.753 -10.113 17.937 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.780 -11.492 18.274 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.328 -9.036 17.710 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.256 -8.855 19.085 1.00 0.00 H new ATOM 1155 N ALA A 78 6.901 -12.353 14.815 1.00 0.00 N ATOM 1156 CA ALA A 78 7.118 -13.704 14.326 1.00 0.00 C ATOM 1157 C ALA A 78 8.331 -14.310 15.035 1.00 0.00 C ATOM 1158 O ALA A 78 8.196 -15.271 15.791 1.00 0.00 O ATOM 1159 CB ALA A 78 7.284 -13.676 12.805 1.00 0.00 C ATOM 0 H ALA A 78 7.331 -11.621 14.250 1.00 0.00 H new ATOM 0 HA ALA A 78 6.258 -14.336 14.548 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.447 -14.689 12.438 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.384 -13.265 12.348 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.140 -13.054 12.544 1.00 0.00 H new ATOM 1165 N LYS A 79 9.488 -13.723 14.765 1.00 0.00 N ATOM 1166 CA LYS A 79 10.724 -14.192 15.367 1.00 0.00 C ATOM 1167 C LYS A 79 11.041 -15.595 14.843 1.00 0.00 C ATOM 1168 O LYS A 79 10.684 -16.591 15.468 1.00 0.00 O ATOM 1169 CB LYS A 79 10.641 -14.111 16.893 1.00 0.00 C ATOM 1170 CG LYS A 79 12.002 -14.395 17.532 1.00 0.00 C ATOM 1171 CD LYS A 79 12.264 -13.451 18.706 1.00 0.00 C ATOM 1172 CE LYS A 79 13.143 -12.274 18.277 1.00 0.00 C ATOM 1173 NZ LYS A 79 12.417 -10.996 18.450 1.00 0.00 N ATOM 0 H LYS A 79 9.595 -12.926 14.137 1.00 0.00 H new ATOM 0 HA LYS A 79 11.555 -13.548 15.081 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.295 -13.121 17.190 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.906 -14.828 17.259 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.037 -15.428 17.877 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.789 -14.281 16.786 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.317 -13.079 19.097 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.750 -13.997 19.515 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.059 -12.262 18.868 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.438 -12.393 17.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.027 -10.207 18.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.556 -11.004 17.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.157 -10.877 19.450 1.00 0.00 H new ATOM 1183 N THR A 80 11.709 -15.626 13.699 1.00 0.00 N ATOM 1184 CA THR A 80 12.078 -16.889 13.083 1.00 0.00 C ATOM 1185 C THR A 80 13.549 -16.866 12.661 1.00 0.00 C ATOM 1186 O THR A 80 14.128 -15.799 12.472 1.00 0.00 O ATOM 1187 CB THR A 80 11.117 -17.148 11.921 1.00 0.00 C ATOM 1188 OG1 THR A 80 11.227 -15.979 11.113 1.00 0.00 O ATOM 1189 CG2 THR A 80 9.653 -17.158 12.364 1.00 0.00 C ATOM 0 H THR A 80 12.004 -14.797 13.183 1.00 0.00 H new ATOM 0 HA THR A 80 11.987 -17.715 13.789 1.00 0.00 H new ATOM 0 HB THR A 80 11.361 -18.102 11.453 1.00 0.00 H new ATOM 0 HG1 THR A 80 10.637 -16.063 10.335 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.013 -17.346 11.502 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.503 -17.943 13.105 1.00 0.00 H new ATOM 0 HG23 THR A 80 9.399 -16.192 12.801 1.00 0.00 H new ATOM 1197 N PRO A 81 14.126 -18.090 12.522 1.00 0.00 N ATOM 1198 CA PRO A 81 15.518 -18.221 12.127 1.00 0.00 C ATOM 1199 C PRO A 81 15.693 -17.932 10.635 1.00 0.00 C ATOM 1200 O PRO A 81 14.791 -18.189 9.839 1.00 0.00 O ATOM 1201 CB PRO A 81 15.902 -19.643 12.505 1.00 0.00 C ATOM 1202 CG PRO A 81 14.594 -20.399 12.669 1.00 0.00 C ATOM 1203 CD PRO A 81 13.471 -19.378 12.739 1.00 0.00 C ATOM 0 HA PRO A 81 16.167 -17.501 12.626 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.522 -20.098 11.733 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.481 -19.659 13.429 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.439 -21.080 11.832 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.615 -21.006 13.574 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.714 -19.570 11.979 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.968 -19.408 13.705 1.00 0.00 H new ATOM 1208 N SER A 82 16.860 -17.400 10.300 1.00 0.00 N ATOM 1209 CA SER A 82 17.164 -17.072 8.918 1.00 0.00 C ATOM 1210 C SER A 82 18.663 -16.804 8.763 1.00 0.00 C ATOM 1211 O SER A 82 19.279 -16.180 9.626 1.00 0.00 O ATOM 1212 CB SER A 82 16.357 -15.861 8.448 1.00 0.00 C ATOM 1213 OG SER A 82 16.359 -15.737 7.029 1.00 0.00 O ATOM 0 H SER A 82 17.606 -17.188 10.963 1.00 0.00 H new ATOM 0 HA SER A 82 16.886 -17.922 8.295 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.330 -15.950 8.803 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.770 -14.955 8.892 1.00 0.00 H new ATOM 0 HG SER A 82 15.832 -14.953 6.768 1.00 0.00 H new ATOM 1218 N GLY A 83 19.207 -17.287 7.655 1.00 0.00 N ATOM 1219 CA GLY A 83 20.621 -17.107 7.375 1.00 0.00 C ATOM 1220 C GLY A 83 21.351 -18.452 7.354 1.00 0.00 C ATOM 1221 O GLY A 83 21.176 -19.241 6.427 1.00 0.00 O ATOM 0 H GLY A 83 18.693 -17.803 6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 83 20.744 -16.607 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.066 -16.460 8.131 1.00 0.00 H new ATOM 1225 N PRO A 84 22.174 -18.675 8.412 1.00 0.00 N ATOM 1226 CA PRO A 84 22.931 -19.910 8.523 1.00 0.00 C ATOM 1227 C PRO A 84 22.027 -21.073 8.935 1.00 0.00 C ATOM 1228 O PRO A 84 20.834 -20.884 9.166 1.00 0.00 O ATOM 1229 CB PRO A 84 24.021 -19.615 9.541 1.00 0.00 C ATOM 1230 CG PRO A 84 23.554 -18.385 10.304 1.00 0.00 C ATOM 1231 CD PRO A 84 22.405 -17.762 9.528 1.00 0.00 C ATOM 0 HA PRO A 84 23.366 -20.222 7.574 1.00 0.00 H new ATOM 0 HB2 PRO A 84 24.167 -20.460 10.214 1.00 0.00 H new ATOM 0 HB3 PRO A 84 24.976 -19.431 9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.232 -18.659 11.309 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.371 -17.672 10.415 1.00 0.00 H new ATOM 0 HD2 PRO A 84 21.515 -17.663 10.149 1.00 0.00 H new ATOM 0 HD3 PRO A 84 22.661 -16.763 9.176 1.00 0.00 H new ATOM 1236 N SER A 85 22.630 -22.250 9.019 1.00 0.00 N ATOM 1237 CA SER A 85 21.894 -23.443 9.399 1.00 0.00 C ATOM 1238 C SER A 85 20.804 -23.739 8.367 1.00 0.00 C ATOM 1239 O SER A 85 19.905 -22.926 8.158 1.00 0.00 O ATOM 1240 CB SER A 85 21.278 -23.289 10.792 1.00 0.00 C ATOM 1241 OG SER A 85 20.586 -24.464 11.203 1.00 0.00 O ATOM 0 H SER A 85 23.621 -22.402 8.830 1.00 0.00 H new ATOM 0 HA SER A 85 22.592 -24.280 9.429 1.00 0.00 H new ATOM 0 HB2 SER A 85 22.063 -23.060 11.512 1.00 0.00 H new ATOM 0 HB3 SER A 85 20.589 -22.444 10.792 1.00 0.00 H new ATOM 0 HG SER A 85 20.209 -24.326 12.097 1.00 0.00 H new ATOM 1246 N SER A 86 20.922 -24.904 7.748 1.00 0.00 N ATOM 1247 CA SER A 86 19.958 -25.317 6.741 1.00 0.00 C ATOM 1248 C SER A 86 18.622 -25.658 7.404 1.00 0.00 C ATOM 1249 O SER A 86 18.579 -25.977 8.592 1.00 0.00 O ATOM 1250 CB SER A 86 20.475 -26.515 5.942 1.00 0.00 C ATOM 1251 OG SER A 86 21.378 -26.120 4.912 1.00 0.00 O ATOM 0 H SER A 86 21.670 -25.575 7.924 1.00 0.00 H new ATOM 0 HA SER A 86 19.811 -24.488 6.048 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.975 -27.211 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.632 -27.048 5.501 1.00 0.00 H new ATOM 0 HG SER A 86 21.687 -26.913 4.426 1.00 0.00 H new ATOM 1256 N GLY A 87 17.566 -25.578 6.609 1.00 0.00 N ATOM 1257 CA GLY A 87 16.232 -25.874 7.105 1.00 0.00 C ATOM 1258 C GLY A 87 15.451 -24.588 7.380 1.00 0.00 C ATOM 1259 O GLY A 87 15.548 -23.623 6.623 1.00 0.00 O ATOM 0 H GLY A 87 17.606 -25.313 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.695 -26.481 6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.303 -26.463 8.019 1.00 0.00 H new TER 1263 GLY A 87